Using ab initio molecular dynamics to determine the mobility of single, di and tri self-interstitial configurations in hcp Zr

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<ul class="nav navbar-nav navbar-right" style="display: inline-flex; align-items: center; margin-left: 20px;"> <li id="language" class="d-none d-xl-inline-flex"> <a href="javascript:"> <div class="current"> <i class="ivu-icon ivu-icon-md-globe"></i> EN </div> </a> <div class="selection"> <a rel="alternate" hreflang="en" href="https://www.peeref.com/works/84057353" > <span>English</span> </a> <a rel="alternate" hreflang="zh" href="https://www.peeref.com/zh/works/84057353" > <span>中文</span> </a> </div> </li> </ul> </ul> </div> </nav> <main> <div id="top-info-banner" class="container-fluid mb-0"> <div class="container"> <div class="d-flex align-items-center" style="margin-top: 30px;"> <span class="text-white"> <strong class="f18">☆</strong> <span class="f16">4.7</span> </span> <span class="mx-3"></span> <span class="tag">Article</span> </div> <h1 class="title title-for-article"> Using ab initio molecular dynamics to determine the mobility of single, di and tri self-interstitial configurations in hcp Zr </h1> <div class="help-links-left"> <p class="pub-info"> SCRIPTA MATERIALIA (2025) </p> </div> </div> </div> <div id="article-sticky-navbar"> <div class="container"> <div class="d-flex justify-content-between flex-wrap flex-md-nowrap"> <div class="d-flex align-items-center mb-2"> <ul class="nav nav-underline f16 font-weight-bold"> <li class="active"> <a href="javascript:;"> Overview </a> </li> <li class=""> <a href="https://www.peeref.com/works/84057353/comments"> Write a Review </a> </li> </ul> </div> <div class="d-flex align-items-center justify-content-md-end flex-wrap flex-md-nowrap"> <div class="mr-3 mt-3 mt-md-0 flex-shrink-0"> <a href="https://doi.org/10.1016/j.scriptamat.2024.116386" target="_blank" class="btn btn-warning btn-circle"> <i class="ivu-icon ivu-icon-md-copy f16"></i> <strong>Get Full Text</strong> </a> </div> <div class="mr-3 mt-3 mt-md-0 flex-shrink-0"> <a href="https://www.peeref.com/works/84057353/add-to-collection" class="btn 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</div> </div> </div> </div> </div> </div> <div id="article-details" class="container"> <div class="col-md-4 px-0 pr-md-3"> <div class="f15 panel-box rounded shadow-none border"> <div class="mb-3 pb-3"> <h4 class="mt-0">Journal</h4> <div class="f16"> <h5 class="title f16"> <a href="https://www.peeref.com/journals/7429/scripta-materialia"> SCRIPTA MATERIALIA </a> </h5> <span> Volume 255, Issue -, Pages - </span> </div> </div> <div class="mb-3 pb-3"> <h4 class="mt-0">Publisher</h4> <div class="f16"> <h5 class="title f16 text-primary"> PERGAMON-ELSEVIER SCIENCE LTD </h5> <div class="my-2"> DOI: 10.1016/j.scriptamat.2024.116386 </div> </div> </div> <div class="mb-3 pb-3"> <h4 class="mt-0">Keywords</h4> <div class="f16"> Zirconium; Irradiation; Self-interstitials; Modelling </div> </div> <div class="mb-3 pb-3"> <h4 class="mt-0">Categories</h4> <div class="f16"> <span class="d-block"> <a href="https://www.peeref.com/works/list?category=Nanoscience+%26+Nanotechnology" target="_blank" class="text-dark btn btn-link p-0 text-left"> Nanoscience & Nanotechnology </a> </span> <span class="d-block"> <a href="https://www.peeref.com/works/list?category=Materials+Science%2C+Multidisciplinary" target="_blank" class="text-dark btn btn-link p-0 text-left"> Materials Science, Multidisciplinary </a> </span> <span class="d-block"> <a href="https://www.peeref.com/works/list?category=Metallurgy+%26+Metallurgical+Engineering" target="_blank" class="text-dark btn btn-link p-0 text-left"> Metallurgy & Metallurgical Engineering </a> </span> </div> </div> <div class="mb-3 pb-3"> <h4 class="mt-0">Funding</h4> <div class="f16"> <ol class=""> <li>EDF RD [CRAYON P127S]</li> <li>ANR project DIBAZA [ANR-21CE08-0046-01]</li> </ol> </div> </div> </div> <div class="f15 panel-box rounded shadow-none border"> <h4 class="mt-0 text-center">Ask authors/readers for more resources</h4> <div class="requests"> <div class="requests-item"> <div class="icon"> <img 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<strong>Abstract</strong> </a> </li> </ul> <div class="tab-content border border-top-0"> <div id="ai_summary" class="tab-pane active"> <div class="summary-panel panel-box mb-0 rounded shadow-none"> <div class="f16">This paper uses DFT to perform MD calculations to determine the diffusion coefficient of SIA clusters in the hcp structure of zirconium. The calculated values are consistent with previous DFT studies, validating the adopted methodology. The results show that the addition of SIA significantly slows down the diffusion along the c(->) axis. Quantitative differences with existing empirical potential results highlight the usefulness of ab initio MD calculations.</div> </div> </div> <div id="raw_abstract" class="tab-pane "> <div class="abstract-panel panel-box mb-0 rounded shadow-none"> <div class="f16">Atomic configurations and activation energies for diffusion of point defects and point defects clusters are important elements to consider when predicting the microstructural evolution of zirconium-based materials under irradiation. Using Density Functional Theory (DFT) we performed molecular dynamics (MD) calculations to determine the diffusion coefficient of self-interstitials (SIA) clusters containing up to three atoms in the hexagonal close packed (hcp) structure of zirconium. The calculated values of the activation energy for single SIA diffusion are in line with previous DFT studies performed with accurate constrained minimization techniques, which validates the adopted methodology. Diffusion in the basal plane is similar for mono-, di- and tri-SIAs but diffusion along the c(->) axis is significantly slowed down by the addition of SIA. Quantitative differences with existing empirical potential results highlight the usefulness of the ab initio MD calculations reported in this work.</div> </div> </div> </div> </div> <div class="f15 panel-box rounded shadow-none border"> <h4 class="mt-0 heading-count">Authors</h4> <div class="mb-3"> <article-authors tid="84057353" list="[{"name":"Clement Sakael","sequence":1},{"name":"Christophe Domain","sequence":2},{"name":"Antoine Ambard","sequence":3},{"name":"Ludovic Thuinet","sequence":4},{"name":"Alexandre Legris","sequence":5}]" verified="[]" page="work" ></article-authors> </div> <div class="alert alert-warning mb-0"> <h5 class="mt-0 bg-warning text-dark px-3 rounded d-inline-block"> I am an author on this paper </h5> <div class="font-weight-bold f13"> Click your name to claim this paper and add it to your profile. </div> </div> </div> <div class="f15 panel-box rounded shadow-none border"> <h4 class="mt-0 heading-count">Reviews</h4> <div class="d-flex flex-wrap flex-md-nowrap"> <div class="flex-grow-1"> <h4 class="f16"> Primary Rating <a href="javascript:;" data-toggle="tooltip" data-placement="right" title="The primary rating indicates the level of overall quality for the paper."> <i class="ivu-icon ivu-icon-md-help-circle f18 ml-2"></i> </a> </h4> <div class="d-flex flex-wrap flex-md-nowrap align-items-center alert mb-0"> <div class="d-flex align-items-center justify-content-center"> <Rate disabled allow-half value="4.7" style="font-size: 28px;"></Rate> <strong class="f20 m-3" style="color: #f5a623;">4.7</strong> </div> <div class="text-muted mx-4"> Not enough ratings </div> </div> <h4 class="f16"> Secondary Ratings <a href="javascript:;" data-toggle="tooltip" data-placement="right" title="Secondary ratings independently reflect strengths or weaknesses of the paper."> <i class="ivu-icon ivu-icon-md-help-circle f18 ml-2"></i> </a> </h4> <div class="d-flex flex-wrap flex-md-nowrap alert"> <div class="d-flex flex-shrink-0 align-items-center mr-3"> <h5 class="my-0">Novelty</h5> <strong class="mx-4">-</strong> </div> <div class="d-flex flex-shrink-0 align-items-center mr-3"> <h5 class="my-0">Significance</h5> <strong class="mx-4">-</strong> </div> <div class="d-flex flex-shrink-0 align-items-center mr-3"> <h5 class="my-0">Scientific rigor</h5> <strong class="mx-4">-</strong> </div> </div> </div> <div class="flex-shrink-0"> <div class="border bg-light py-2 px-4"> <h5 class="mb-1">Rate this paper</h5> <Rate class="f24" @on-change="function(value){ location.href='https://www.peeref.com/works/84057353/comments?rating='+value }"></Rate> </div> </div> </div> </div> <div id="collection" class="f15 panel-box rounded shadow-none border"> <h4 class="mt-0 heading-count">Recommended</h4> <div class="my-3"> <ul class="nav nav-pills border-bottom pb-3" style="list-style: none; padding-left: 0;"> <li class="active"> <a href="#articles_from_related" data-toggle="tab" class="mx-0 f15"> <strong>Related</strong> </a> </li> <li class=""> <a href="#articles_from_authors" data-toggle="tab" class="mx-0 f15"> <strong>From Same Authors</strong> </a> </li> <li class=""> <a href="#articles_from_journal" data-toggle="tab" class="mx-0 f15"> <strong>From Same Journal</strong> </a> </li> </ul> <div class="tab-content"> <div id="articles_from_related" class="tab-pane active"> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/82323229" class="text-dark hover-underline">Structure and stability of small self-interstitials clusters in zirconium</a> </h4> <p class="text-ellipsis-2">Clement Sakael, Christophe Domain, Antoine Ambard, Ludovic Thuinet, Alexandre Legris</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/112.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Density functional theory and embedded atom method potential calculations were performed on small self-interstitial clusters in the hcp structure of zirconium. The most stable configuration was found to be triangular and contained in the basal plane when adding two or three self-interstitials. As the number of self-interstitials increased, the planar defect changed from triangular to hexagonal. An energetic model was proposed to describe the planar defect, and its importance in predicting the microstructural evolution of zirconium-based materials under irradiation was noted. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ACTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/82323229/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Engineering, Mechanical </span> </div> <h4> <a href="https://www.peeref.com/works/28440872" class="text-dark hover-underline">Modelling of zirconium growth under irradiation and annealing conditions</a> </h4> <p class="text-ellipsis-2">Clement Sakael, Christophe Domain, Antoine Ambard, Ludovic Thuinet, Alexandre Legris</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/3855.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> A targeted kinetic Monte Carlo model, based on advanced atomic-scale calculations and experimental data, is successfully used to model the growth of zirconium under irradiation. Various types of defects, including interstitial and vacancy loops, as well as alignments of loops parallel to the basal plane, can be reproduced by the model. A comprehensive parametric study is conducted to understand the conditions under which these microstructural features can be observed. The model is also applied to investigate flux effects and the evolution of the microstructure during annealing. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">INTERNATIONAL JOURNAL OF PLASTICITY</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/28440872/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/83721373" class="text-dark hover-underline">Molecular dynamics simulations of neutron induced collision cascades in Zr - Statistical modelling of irradiation damage and potential applications</a> </h4> <p class="text-ellipsis-2">Bartosz Barzdajn, Christopher P. Race</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/1970.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This paper studies neutron-induced collision cascades in zirconium and develops a parametric, hierarchical and stochastic generative model of collision cascades by analyzing the results of high-fidelity MD simulations. The model can be used for interpolation and generating representative distributions of primary irradiation defects, providing synthetic inputs for models at longer length and time scales, and serving as a powerful analytical tool. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">COMPUTATIONAL MATERIALS SCIENCE</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83721373/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/23653046" class="text-dark hover-underline">Reproducing shadow corrosion on Zircaloy-2 using in-situ proton irradiation</a> </h4> <p class="text-ellipsis-2">Peng Wang, Karsten Nowotka, Gary S. Was</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Shadow corrosion, unique to Boiling Water Reactors, involves localized enhanced corrosion of zirconium alloy in contact with Ni-based alloys or stainless steel. A galvanic coupling mechanism under radiation field governs this phenomenon, which has not been replicated outside of reactor environments. In-situ proton irradiation-corrosion experiments were conducted to develop an empirical model for shadow corrosion under neutron irradiation. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2022) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/23653046/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83591701" class="text-dark hover-underline">Sessile ⟨100⟩ self-interstitial clusters with non-parallel edge dumbbells in irradiated bcc Fe and other metals</a> </h4> <p class="text-ellipsis-2">T. P. C. Klaver, C. Domain, C. S. Becquart</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/7429.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Density functional theory calculations reveal a new type of sessile <100> cluster family that is more stable than parallel <111> dumbbell clusters. <110> edge dumbbells stabilize the clusters by having a favorable location in terms of strain energy. This explains the absence of glissile self-interstitial clusters in irradiated Fe. The mechanism of non-parallel edge interstitials stabilizing higher energy interstitial loops also exists in some fcc metals. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83591701/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/83920288" class="text-dark hover-underline">Stress and temperature dependence of irradiation creep in zircaloy-4 studied using proton irradiation</a> </h4> <p class="text-ellipsis-2">B. Moore, M. Topping, F. Long, M. R. Daymond</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This paper investigates the in-situ irradiation creep behavior of Zircaloy-4 using proton irradiations. Experiments study the impact of initial irradiation defects and the dependence of irradiation creep on temperature and stress. Results show that proton irradiation studies yield similar activation temperature, stress sensitivity, and creep rates as neutron irradiation experiments, demonstrating the usefulness of the approach. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83920288/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/23653086" class="text-dark hover-underline">Recent trends in metallic fast reactor fuels research</a> </h4> <p class="text-ellipsis-2">Assel Aitkaliyeva</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Metallic nuclear fuels have been extensively studied for over 60 years, showing distinctive irradiation behaviors compared to oxide fuels. Current gaps in understanding and recommendations for future research direction are identified for metallic U-Zr and U-Pu-Zr fuels. This review highlights key aspects of metallic fuel irradiation behaviors and points out areas for further research based on recent studies. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2022) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/23653086/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/81690279" class="text-dark hover-underline">Understanding post-irradiation creep behavior of M5Framatome zirconium alloy</a> </h4> <p class="text-ellipsis-2">F. Onimus, S. Doriot, A. Ambard, F. Bourlier, B. Verhaeghe, Th. Le Jolu, C. Cappelaere</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study investigates the changes in nuclear fuel assemblies of pressurized water reactors during transportation in a dry environment. It is found that the cladding tubes made of M5 Framatome1 zirconium alloy recover the radiation-induced hardening and uniform elongation during post-irradiation creep or heat treatment, and the alloy has a low post-irradiation creep rate, mainly due to the strengthening effect of Nb-rich nano-precipitates. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/81690279/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Engineering, Mechanical </span> </div> <h4> <a href="https://www.peeref.com/works/81702590" class="text-dark hover-underline">Spatially-resolved cluster dynamics modeling of irradiation growth</a> </h4> <p class="text-ellipsis-2">Matthew Maron, Yang Li, Inam Lalani, Kristopher Baker, Benjamin Ramirez Flores, Thomas Black, James Hollenbeck, Nasr Ghoniem, Giacomo Po</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/3855.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> A model coupling cluster dynamics and crystal plasticity is developed to study irradiation growth in zirconium. Vacancy cluster to vacancy loop transition and the coupling between CD and plastic deformation are considered. Good agreement between calculated and experimental results shows the spatial correlation between dislocation loop growth and growth strains, and the influence of crystal size. Diffusion anisotropy difference is important for explaining axis expansion and contraction in irradiated Zr. PWR Kearns parameters and nanograin size enhance the irradiation resistance of Zr. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">INTERNATIONAL JOURNAL OF PLASTICITY</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/81702590/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/83062966" class="text-dark hover-underline">Electron microscopy characterization of proton irradiation induced growth in pure Zr</a> </h4> <p class="text-ellipsis-2">F. Long, R. Roy, M. R. Daymond</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Proton irradiation was performed on a pure Zr sample to study the irradiation growth phenomenon. Radiation caused a significant change in the surface morphology of the irradiated area, and the local strain was correlated with the level of misorientation. The defect microstructure was characterized by TEM, similar to that caused by neutron irradiation. Finally, FIB TEM lift-outs were prepared on local grain boundaries to investigate the origin of the local deformation. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83062966/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/27459936" class="text-dark hover-underline">Modeling of irradiation growth of Zr single crystals with diffusion anisotropy</a> </h4> <p class="text-ellipsis-2">Jingyu Zhang, Shurong Ding, Huiling Duan</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> In this study, a cluster dynamics model is proposed to predict the irradiation deformation of hexagonal materials. The model describes the evolutions of point defects and defect clusters with the diffusion anisotropy of self-interstitial atoms. Nucleation and growth models for vacancy, interstitial, and vacancy dislocation loops are developed. Experimental data of irradiated Zr single crystals show good agreement with the simulated growth strains. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/27459936/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/24712646" class="text-dark hover-underline">Evaluation of irradiation hardening in proton-irradiated d-zirconium hydride and Zr2.5Nb</a> </h4> <p class="text-ellipsis-2">Igor J. S. Cherubin, Matthew Topping, Mark R. Daymond</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study investigates the mechanical properties of hydrided and non-hydrided materials under proton irradiation. The results show an increase in true hardness and yield strength due to irradiation hardening. The defect density evolution varies in the two materials at different dpa levels. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2022) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/24712646/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nuclear Science & Technology </span> </div> <h4> <a href="https://www.peeref.com/works/28664722" class="text-dark hover-underline">Effect of H and Pd atoms on the migration of He atoms in 3C-SiC</a> </h4> <p class="text-ellipsis-2">Shangquan Zhao, Changyong Chen, Guang Ran</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/6940.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Interstitial atoms, such as hydrogen (H) and palladium (Pd), have been found to affect the migration of helium (He) atoms in SiC cladding materials. H atom promotes the approach of He atoms, while Pd atom causes He atoms to move away. Furthermore, the presence of external H atom strengthens the effect of Pd atom, significantly reducing the migration energy of He atoms away from Pd. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">PROGRESS IN NUCLEAR ENERGY</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/28664722/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/27460003" class="text-dark hover-underline">Irradiation Effects on Stability of ?-UZr2 phase in U-50 wt% Zr Alloy</a> </h4> <p class="text-ellipsis-2">Amrita Sen, Mukesh Bachhav, Xiaofei Pu, Fei Teng, Tiankai Yao, Janelle P. Wharry</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> In this study, the microstructural changes in U-50wt%Zr under proton irradiation were characterized using high-resolution transmission electron microscopy and atom probe tomography. The results showed highly oriented bcc, B-type Zr-rich platelet precipitates nucleating inside the UZr2 matrix. These microstructural changes are different from those achieved by pure thermodynamic or high temperature heavy ion irradiation experiments, highlighting the necessity to study the U-Zr phase diagram under non-equilibrium thermodynamics conditions. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/27460003/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 "> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/34135712" class="text-dark hover-underline">Modelling thermal and irradiation creep with crystal plasticity theory and self-consistent method</a> </h4> <p class="text-ellipsis-2">Xiazi Xiao, Hanlu Xie, Shilin Li, Long Yu</p> <div class="d-flex mb-3"> <div class="flex-shrink-0 d-none d-sm-block"> <img src="https://peeref-open.s3.amazonaws.com/storage/images/covers/4933.jpg" alt="" class="border mr-3" width="100"> </div> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> By combining crystal plasticity theory and viscoplastic self-consistent method, this study aims to comprehend the underlying deformation mechanisms related to irradiation creep of metallic polycrystalline materials. The influence of irradiation-induced defects on the creep strain rate is effectively addressed in the developed constitutive laws. The study also presents a cross-scale way to predict the irradiation creep properties of polycrystals using the viscoplastic self-consistent method. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/34135712/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> </div> <div id="articles_from_authors" class="tab-pane "> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/84330131" class="text-dark hover-underline">A new approach to investigate secondary hydriding phenomenon on M5Framatome clads under high-temperature LOCA conditions</a> </h4> <p class="text-ellipsis-2">A. M. Kpemou, S. Guilbert, J. Desquines, T. Taurines, M. C. Baietto, B. Normand, J. Soulacroix, A. Ambard, F. Bourlier</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study focuses on a new experimental approach for the separate effects study of the secondary hydriding phenomenon under LOCA conditions. Separate effects tests were carried out using a dedicated experimental protocol to study the effects of oxidation duration, temperature, and gap size on hydrogen absorption in M5Framatome1 cladding. Metallographic analysis was used to characterize the metallurgical transformation of the cladding after high-temperature oxidation. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/84330131/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nuclear Science & Technology </span> </div> <h4> <a href="https://www.peeref.com/works/28617866" class="text-dark hover-underline">Modeling of the P2M Past Fuel Melting Experiments with the Fuel Performance Code CYRANO3</a> </h4> <p class="text-ellipsis-2">A. Chaieb, R. Largenton, A. Ambard, B. Baurens, M. Ton That</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> CYRANO3 is a thermal-mechanical industrial code developed by Electricite de France (EDF) to simulate nuclear fuel rod performance. The code has been recently improved to allow for modeling fuel melting. The results demonstrate that CYRANO3 is a powerful tool to simulate fuel rod behavior during power ramp tests. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">NUCLEAR TECHNOLOGY</span> (2023) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/28617866/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nuclear Science & Technology </span> </div> <h4> <a href="https://www.peeref.com/works/24712744" class="text-dark hover-underline">Stress relieved Zircaloy-4 recovery and recrystallization during fast anisothermal transients</a> </h4> <p class="text-ellipsis-2">Ahmed Chaieb, Nathanael Mozzani, Antoine Ambard, Aurore Parrot, Alain Koster, Jerome Crepin</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> The kinetics of recovery-recrystallization of cold-work stress-relieved Zircaloy-4 under dynamic conditions were studied. The results showed that the process is delayed when the heating rate is increased, and a model was proposed to describe the evolution of the unrecrystallized fraction during rapid anisothermal transients. Comparisons between experimental results and model predictions demonstrated a good agreement. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY</span> (2022) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/24712744/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/20223645" class="text-dark hover-underline">Atomic modelling of carbon atom diffusion in monoclinic zirconia volume, subsurface and surface</a> </h4> <p class="text-ellipsis-2">P. E. Plantet, Y. Xu, C. Domain, J. Roques, A. Ambard, E. Simoni</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2020) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/20223645/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/20447740" class="text-dark hover-underline">Influence of vacancy diffusional anisotropy: Understanding the growth of zirconium alloys under irradiation and their microstructure evolution</a> </h4> <p class="text-ellipsis-2">B. Christiaen, C. Domain, L. Thuinet, A. Ambard, A. Legris</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ACTA MATERIALIA</span> (2020) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/20447740/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/20520817" class="text-dark hover-underline">Breakaway oxidation of zirconium alloys exposed to steam around 1000 °C</a> </h4> <p class="text-ellipsis-2">Matthieu Le Saux, Jean-Christophe Brachet, Valerie Vandenberghe, Antoine Ambard, Raphael Chosson</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">CORROSION SCIENCE</span> (2020) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/20520817/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/18172567" class="text-dark hover-underline">The effect of cold work on the transformation kinetics and texture of a zirconium alloy during fast thermal cycling</a> </h4> <p class="text-ellipsis-2"> Chi-Toan Nguyen, Javier Romero, Antoine Ambard, Michael Preuss, Joao Quinta da Fonseca</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING</span> (2019) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/18172567/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/19178978" class="text-dark hover-underline">A new scenario for <c> vacancy loop formation in zirconium based on atomic-scale modeling</a> </h4> <p class="text-ellipsis-2">B. Christiaen, C. Domain, L. Thuinet, A. Ambard, A. Legris</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ACTA MATERIALIA</span> (2019) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/19178978/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/18453150" class="text-dark hover-underline">Effect of a pre-oxide on the high temperature steam oxidation of Zircaloy-4 and M5Framatome alloys</a> </h4> <p class="text-ellipsis-2">M. Le Saux, J. C. Brachet, V. Vandenberghe, E. Rouesne, S. Urvoy, A. Ambard, R. Chosson</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2019) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/18453150/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/19762232" class="text-dark hover-underline">Contribution to the understanding of brittle fracture conditions of zirconium alloy fuel cladding tubes during LOCA transient</a> </h4> <p class="text-ellipsis-2">Ronan Thieurmel, Jacques Besson, Edouard Pouillier, Aurore Parrot, Antoine Ambard, Anne-Francoise Gourgues-Lorenzon</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">JOURNAL OF NUCLEAR MATERIALS</span> (2019) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/19762232/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Proceedings Paper </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/44160175" class="text-dark hover-underline">Strain-Path Change Tests and Physically Based Polycrystalline Modeling of the Behavior of Recrystallized Zirconium Alloys</a> </h4> <p class="text-ellipsis-2">Fabien Onimus, Matthew Bono, Jerome Garnier, Annie Soniak-Defresne, Roger Limon, Didier Gilbon, Florent Bourlier, Antoine Ambard</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ZIRCONIUM IN THE NUCLEAR INDUSTRY: 18TH INTERNATIONAL SYMPOSIUM</span> (2018) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/44160175/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Proceedings Paper </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/44160745" class="text-dark hover-underline">Hydrogen Pickup Mechanism in Zirconium Alloys</a> </h4> <p class="text-ellipsis-2">Adrien Couet, Arthur T. Motta, Antoine Ambard, Robert J. Comstock</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ZIRCONIUM IN THE NUCLEAR INDUSTRY: 18TH INTERNATIONAL SYMPOSIUM</span> (2018) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/44160745/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Proceedings Paper </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/44160866" class="text-dark hover-underline">Microstructural Evolution of Q12™ Alloy Irradiated in PWRs and Comparison with Other Zr Base Alloys</a> </h4> <p class="text-ellipsis-2">Sylvie Doriot, Benedicte Verhaeghe, Annie Soniak-Defresne, Philippe Bossis, Didier Gilbon, Valerie Chabretou, Jean-Paul Mardon, Marc Ton-That, Antoine Ambard</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ZIRCONIUM IN THE NUCLEAR INDUSTRY: 18TH INTERNATIONAL SYMPOSIUM</span> (2018) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/44160866/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 "> <div> <span class="d-inline-block badge badge-blue"> Proceedings Paper </span> <span class="d-inline-block badge badge-cyan"> Materials Science, Multidisciplinary </span> </div> <h4> <a href="https://www.peeref.com/works/44161233" class="text-dark hover-underline">Investigation and Modeling of the Degradation of Zirconium-Based Fuel Cladding during Corrosion in Steam and Air-Steam Mixtures at High Temperatures</a> </h4> <p class="text-ellipsis-2">Florian Haurais, Emilie Beuzet, Martin Steinbrueck, Eric Simoni, Antoine Ambard, Mohamed Torkhanil</p> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">ZIRCONIUM IN THE NUCLEAR INDUSTRY: 18TH INTERNATIONAL SYMPOSIUM</span> (2018) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/44161233/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> </div> <div id="articles_from_journal" class="tab-pane "> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83116187" class="text-dark hover-underline">Accelerated discovery of refractory high-entropy alloys for strength-ductility co-optimization: An exploration in NbTaZrHfMo system by machine learning</a> </h4> <p class="text-ellipsis-2">Cheng Wen, Haicheng Shen, Yuwan Tian, Gongqi Lou, Nanchuan Wang, Yanjing Su</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study addresses the challenge of balancing high-temperature strength and room-temperature ductility in the design of refractory high-entropy alloys (RHEAs) by proposing a machine learning-based design strategy that integrates uncertainty estimation and clustering analysis for the concurrent optimization of a specific alloy system (NbTaZrHfMo). Four non-equimolar alloys with superior combinations of high-temperature strength, room-temperature ductility, and high-temperature specific yield strength were discovered and synthesized. By analyzing the influence of elements on mechanical properties, an optimal composition range was identified. This research provides a general design approach for simultaneously optimizing conflicting properties using a small data-trained machine learning model, facilitating the accelerated discovery of desired RHEAs and other materials within a vast search space. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83116187/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/84045984" class="text-dark hover-underline">Superior high-temperature strength of a carbide-reinforced high-entropy alloy with ultrafine eutectoid structure</a> </h4> <p class="text-ellipsis-2">Xiao Wang, Guoqiang Luo, Qinqin Wei, Yi Sun, Wei Huang, Jian Peng, Jian Zhang, Qiang Shen</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This paper presents a strategy to obtain superior strong high-entropy alloys by introducing carbides to form micro-nano scale eutectic and eutectoid structures. This strategy can solve the problems of unstable microstructure and strength loss of traditional alloys and single-phase refractory high-entropy alloys at high temperatures. The resulting alloys have excellent yield strength at high temperatures, and this work provides important ideas for the performance optimization and application expansion of high-temperature composites. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/84045984/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83734186" class="text-dark hover-underline">Ultrastrong, high plasticity, and softening-resistant refractory high-entropy alloy via stable isostructural coherent interfaces</a> </h4> <p class="text-ellipsis-2">Yuan Li, Feiyang Zhou, Wenli Song, Xiaodong Zhang, Jinglian Fan, Yong Han, Zhifeng Lei</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Controlling the sintering temperature of MoTaVW RHEA forms a stable isostructural coherent interface, which enhances the alloy's strength, plasticity, and high-temperature softening resistance. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83734186/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83014482" class="text-dark hover-underline">Design and development of a novel non-equiatomic Ti-Nb-Mo-Ta-W refractory high entropy alloy with a single-phase body-centered cubic structure</a> </h4> <p class="text-ellipsis-2">Yong Seong Kim, Ryosuke Ozasa, Kazuhisa Sato, Ozkan Gokcekaya, Takayoshi Nakano</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study designs RHEAs by thermodynamic parameters and CALPHAD to suppress segregation and phase separation. A novel non-equiatomic RHEA, Ti1(NbMoTa)2W0.5 alloy, has a minimized difference between liquidus and solidus temperatures and a wide temperature range between solidus and transformation temperatures. The alloy maintains a single-phase BCC structure, suppresses elemental segregation, and shows excellent strength and ductility. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83014482/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/84046000" class="text-dark hover-underline">Simultaneously enhancing the strength and ductility of Cu-Ti-Fe alloy through electric current pulse induced precipitation</a> </h4> <p class="text-ellipsis-2">Gaolei Xu, Yunqing Zhu, Lijun Peng, Xujun Mi, Haofeng Xie, Yicheng Cao, Xuehua Li</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study introduced an electric current pulse during the fabrication of Cu-Ti-Fe alloy, promoting the nucleation and precipitation of metastable phases. A large amount of nanoscale (3'-Cu4Ti phase rapidly precipitated. After further aging, higher density and finer (3'-Cu4Ti precipitates were detected, hindering the DP behavior. The tensile strength and elongation of the alloy increased by 103 MPa and 8% respectively, providing guidance for the strength-ductility enhancements of metallic materials. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/84046000/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83362535" class="text-dark hover-underline">Ultra-high energy storage density in PBSLZS antiferroelectric thick film ceramics</a> </h4> <p class="text-ellipsis-2">Shibin Wang, Weiqiu Li, Yuliang Yu, Chao Yu, Xiaobo Zhao, Yingbang Yao, Tao Tao, Bo Liang, Shanghua Wu, Sheng-Guo Lu</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> High recoverable energy density and efficiency were achieved in PBSLZS antiferroelectric thick film ceramics. The energy storage performance improved with the increase of Sr2+ ion content, and reached the best at 570 kV/cm. The impact of electric field and temperature on the performance was investigated, and a phase diagram was obtained. The PBSLZS ceramics show potential for energy storage capacitors. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83362535/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/82950699" class="text-dark hover-underline">Dual refinement effect of Rare Earth addition on solidification structure of TRIP steels</a> </h4> <p class="text-ellipsis-2">Peng Liu, Hui Ma, Zan Li, Yikun Luan, Guangcai Ma, Dianzhong Li</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study proposes a concept of dual-refinement of solidification structure and dual-homogenization of solute atoms to explain the crystallization process of Nb/V-alloyed TRIP steels with RE addition. RE2O2S and RE2O2S-MC can serve as heterogeneous nucleation sites for δ-Fe, promoting the intragranular dissolution of solute atoms and C/Mn homogenization. The study also provides a strategy for microstructure tailoring and alloy design of peritectic steels. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/82950699/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83114559" class="text-dark hover-underline">Low-fatigue large elastocaloric effect in NiTi shape memory alloy enabled by two-step transition</a> </h4> <p class="text-ellipsis-2">Qianglong Liang, Dong Wang, Chuanxin Liang, Xiangdong Ding, Yunzhi Wang</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> NiTi shape memory alloys show great potential in elastocaloric materials, but their hysteresis and functional fatigue limit their applications. This study demonstrates a continuous two-step transition in NiTi, achieving cyclic-stable superelasticity with large recoverable strain, substantial ATad, and high coefficient of performance, and reveals the underlying mechanism. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83114559/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83085079" class="text-dark hover-underline">Regulating precipitation behavior in an ultrahigh-strength, high-molybdenum maraging steel via laser powder bed fusion</a> </h4> <p class="text-ellipsis-2">Shidong Wang, Wenhua Wu, Yue Sun, Zhigang Yang, Gang Sha, Wei Wang, Zengbao Jiao, Hao Chen</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study produced high-Mo maraging steel by L-PBF, suppressed the formation of coarse Mo-enriched precipitates, and achieved the co-precipitation of high-density Ni3Ti and Mo-enriched nanoprecipitates, resulting in direct-aged samples with ultrahigh strength and acceptable ductility. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83085079/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83135813" class="text-dark hover-underline">Superelastic Cu68.5Al17.5Mn14 single crystal with an ultra-wide working temperature range for elastocaloric cooling</a> </h4> <p class="text-ellipsis-2">Yueping Wang, Huaqiu Du, Hongwei Liu, Jiajing Yang, Zongbin Li, Jinwei Li, Bo Yang, Haile Yan, Liang Zuo</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> A <105>(A) oriented Cu68.5Al17.5Mn14 single crystal was developed by cyclic heat treatments, which showed large superelastic response and elastocaloric cooling ability, covering an ultra-wide temperature range from 77K to 450K. The refrigeration capacity reached 5012J/kg, far exceeding the elastocaloric materials reported so far. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83135813/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/82987722" class="text-dark hover-underline">Evidence of intrinsic structural heterogeneity by monatomic metallic glass</a> </h4> <p class="text-ellipsis-2">Y. E. Zhang, X. Tong, H. P. Zhang, Y. Q. Yan, D. X. Han, Y. H. Liu, S. Cao, H. B. Ke, B. Zhang, H. Y. Bai, W. H. Wang</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study investigated the structural heterogeneity in amorphous solids using a monatomic metallic glass as a model system. The results provide conclusive evidence of the intrinsic nature of structural heterogeneity in amorphous solids and reveal the hidden complexity due to chemical factors. Moreover, it is found that tuning the heterogeneity can tailor the properties of monatomic MGs. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/82987722/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/84393947" class="text-dark hover-underline">Plastic slip mechanisms in high-temperature titanium alloys: Insights into silicide and Ti3Al precipitates on ductility</a> </h4> <p class="text-ellipsis-2">Heqing Zhang, Changjiang Zhang, Xiaojian Liang, Ruipeng Guo, Hong Feng, Zhaoping Hou, Jianchao Han, Min Cheng, Shuzhi Zhang, Tao Wang, Peng Cao</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study examines the effect of adjusting the Al/Zr ratio on silicide and α2 precipitates in near-α high-temperature titanium alloys, and the role of these precipitates on ductility. It is found that dispersed silicide precipitates enhance ductility, while α2 nanoparticles reduce ductility. This provides a new strategy for balancing strength and ductility in near-α high-temperature titanium alloys. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/84393947/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/82987350" class="text-dark hover-underline">Mutually separated, branched segregation behavior of Mg and Ag elements in the T1 precipitates of Al-Cu-Li alloys</a> </h4> <p class="text-ellipsis-2">Yaru Ning, Lipeng Ding, Suya Liu, Flemming J. H. Ehlers, Qingbo Yang, Yaoyao Weng, Ke Zhang, Chenglin Wang, Zhihong Jia</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study investigated the segregation behavior of Mg and Ag in the T1 precipitates of an Al-Cu-Li-based alloy using various techniques. It found that the segregation behavior is related to the precipitate structure, which may affect the stability of the alloy. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/82987350/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 border-bottom"> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/83045752" class="text-dark hover-underline">A pressure and entropy criterion for glass transition decoupling in high-entropy metallic glasses</a> </h4> <p class="text-ellipsis-2">Tianqing Li, Yiding Wang</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> Molecular dynamics simulations are used to study the effect of pressure on the decoupling behavior in HEMGs. The results show that pressure can promote decoupling, and a general criterion for quantitatively classifying MG's decoupling is proposed by combining relevant entropies. This helps to deepen the understanding of glass transitions and provides a new way to control the decoupling behavior in HEMGs. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2024) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/83045752/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> <div class="my-4 "> <div> <span class="d-inline-block badge badge-blue"> Article </span> <span class="d-inline-block badge badge-cyan"> Nanoscience & Nanotechnology </span> </div> <h4> <a href="https://www.peeref.com/works/84479727" class="text-dark hover-underline">Advancing refractory high entropy alloy development with AI-predictive models for high temperature oxidation resistance</a> </h4> <p class="text-ellipsis-2">Stephane Gorsse, Wei-Chih Lin, Hideyuki Murakami, Gian-Marco Rignanese, An-Chou Yeh</p> <div class="d-flex mb-3"> <div class="p-3 rounded bg-light-blue"> <strong>Summary:</strong> This study presents a novel method using GBDT to predict the oxidation resistance of RHEAs and RCCAs. The model is trained with a dataset synthesized from extensive literature and achieves a good balance between accuracy and generalization capacity. This approach reduces the need for extensive experimental testing and facilitates the rapid development of new high-performance materials. </div> </div> <div class="d-flex justify-content-between"> <p class="font-weight-bold"> <span class="text-primary">SCRIPTA MATERIALIA</span> (2025) </p> <div class="flex-shrink-0"> <a class="btn btn-outline-primary btn-sm" href="https://www.peeref.com/works/84479727/add-to-collection" target="_blank"> <strong>Add to Collection</strong> </a> </div> </div> </div> </div> </div> </div> </div> </div> </div> <div class="modal fade" id="export-citation" tabindex="-1"> <div class="modal-dialog"> <div class="modal-content"> <div class="modal-header"> <button type="button" class="close" data-dismiss="modal"><span>×</span></button> <h4 class="modal-title">Export Citation <b class="text-primary"></b></h4> </div> <div class="modal-body"> <div class="my-3 px-4 f16"> <form action="https://www.peeref.com/works/citation/download" method="GET" target="_blank"> <div 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Using ab initio molecular dynamics to determine the mobility of single, di and tri self-interstitial configurations in hcp Zr - Peeref