Search results for: HRMC

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<meta name="description" content="Search results for: HRMC"> <meta name="keywords" content="HRMC"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research Excellence" /> </a> <button class="d-block d-lg-none navbar-toggler ml-auto" type="button" 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class="input-group"> <i class="fas fa-search"></i> <input type="text" class="search-query" name="q" placeholder="Author, Title, Abstract, Keywords" value="HRMC"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 3</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: HRMC</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3</span> The Fit of the Partial Pair Distribution Functions of BaMnFeF7 Fluoride Glass Using the Buckingham Potential by the Hybrid RMC Simulation</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sidi%20Mohamed%20Mesli">Sidi Mohamed Mesli</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Habchi"> Mohamed Habchi</a>, <a href="https://publications.waset.org/abstracts/search?q=Arslane%20Boudghene%20Stambouli"> Arslane Boudghene Stambouli</a>, <a href="https://publications.waset.org/abstracts/search?q=Rafik%20Benallal"> Rafik Benallal</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The BaMnMF7 (M=Fe,V, transition metal fluoride glass, assuming isomorphous replacement) have been structurally studied through the simultaneous simulation of their neutron diffraction patterns by reverse Monte Carlo (RMC) and by the Hybrid Reverse Monte Carlo (HRMC) analysis. This last is applied to remedy the problem of the artificial satellite peaks that appear in the partial pair distribution functions (PDFs) by the RMC simulation. The HRMC simulation is an extension of the RMC algorithm, which introduces an energy penalty term (potential) in acceptance criteria. The idea of this work is to apply the Buckingham potential at the title glass by ignoring the van der Waals terms, in order to make a fit of the partial pair distribution functions and give the most possible realistic features. When displaying the partial PDFs, we suggest that the Buckingham potential is useful to describe average correlations especially in similar interactions. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=fluoride%20glasses" title="fluoride glasses">fluoride glasses</a>, <a href="https://publications.waset.org/abstracts/search?q=RMC%20simulation" title=" RMC simulation"> RMC simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=hybrid%20RMC%20simulation" title=" hybrid RMC simulation"> hybrid RMC simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=Buckingham%20potential" title=" Buckingham potential"> Buckingham potential</a>, <a href="https://publications.waset.org/abstracts/search?q=partial%20pair%20distribution%20functions" title=" partial pair distribution functions"> partial pair distribution functions</a> </p> <a href="https://publications.waset.org/abstracts/38108/the-fit-of-the-partial-pair-distribution-functions-of-bamnfef7-fluoride-glass-using-the-buckingham-potential-by-the-hybrid-rmc-simulation" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/38108.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">503</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2</span> Study of the Phenomenon Nature of Order and Disorder in BaMn(Fe/V)F7 Fluoride Glass by the Hybrid Reverse Monte Carlo Method</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sidi%20Mohamed%20Mesli">Sidi Mohamed Mesli</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Habchi"> Mohamed Habchi</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Kotbi"> Mohamed Kotbi</a>, <a href="https://publications.waset.org/abstracts/search?q=Rafik%20Benallal"> Rafik Benallal</a>, <a href="https://publications.waset.org/abstracts/search?q=Abdelali%20Derouiche"> Abdelali Derouiche</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Fluoride glasses with a nominal composition of BaMnMF7 (M = FeV assuming isomorphous replacement) have been structurally modelled through the simultaneous simulation of their neutron diffraction patterns by a reverse Monte Carlo (RMC) model and by a Rietveld for disordered materials (RDM) method. Model is consistent with an expected network of interconnected [MF6] polyhedra. The RMC results are accompanied by artificial satellite peaks. To remedy this problem, we use an extension of the RMC algorithm, which introduces an energy penalty term in acceptance criteria. This method is called the Hybrid Reverse Monte Carlo (HRMC) method. The idea of this paper is to apply the (HRMC) method to the title glasses, in order to make a study of the phenomenon nature of order and disorder by displaying and discussing the partial pair distribution functions (PDFs) g(r). We suggest that this method can be used to describe average correlations between components of fluoride glass or similar system. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=fluoride%20glasses" title="fluoride glasses">fluoride glasses</a>, <a href="https://publications.waset.org/abstracts/search?q=RMC%20simulation" title=" RMC simulation"> RMC simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=neutron%20scattering" title=" neutron scattering"> neutron scattering</a>, <a href="https://publications.waset.org/abstracts/search?q=hybrid%20RMC%20simulation" title=" hybrid RMC simulation"> hybrid RMC simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=Lennard-Jones%20potential" title=" Lennard-Jones potential"> Lennard-Jones potential</a>, <a href="https://publications.waset.org/abstracts/search?q=partial%20pair%20distribution%20functions" title=" partial pair distribution functions"> partial pair distribution functions</a> </p> <a href="https://publications.waset.org/abstracts/3016/study-of-the-phenomenon-nature-of-order-and-disorder-in-bamnfevf7-fluoride-glass-by-the-hybrid-reverse-monte-carlo-method" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/3016.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">534</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">1</span> Orientational Pair Correlation Functions Modelling of the LiCl6H2O by the Hybrid Reverse Monte Carlo: Using an Environment Dependence Interaction Potential</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Habchi">Mohammed Habchi</a>, <a href="https://publications.waset.org/abstracts/search?q=Sidi%20Mohammed%20Mesli"> Sidi Mohammed Mesli</a>, <a href="https://publications.waset.org/abstracts/search?q=Rafik%20Benallal"> Rafik Benallal</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Kotbi"> Mohammed Kotbi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> On the basis of four partial correlation functions and some geometric constraints obtained from neutron scattering experiments, a Reverse Monte Carlo (RMC) simulation has been performed in the study of the aqueous electrolyte LiCl6H2O at the glassy state. The obtained 3-dimensional model allows computing pair radial and orientational distribution functions in order to explore the structural features of the system. Unrealistic features appeared in some coordination peaks. To remedy to this, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an additional energy constraint in addition to the usual constraints derived from experiments. The energy of the system is calculated using an Environment Dependence Interaction Potential (EDIP). Ions effects is studied by comparing correlations between water molecules in the solution and in pure water at room temperature Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in orientational distribution curves. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=LiCl6H2O" title="LiCl6H2O">LiCl6H2O</a>, <a href="https://publications.waset.org/abstracts/search?q=glassy%20state" title=" glassy state"> glassy state</a>, <a href="https://publications.waset.org/abstracts/search?q=RMC" title=" RMC"> RMC</a>, <a href="https://publications.waset.org/abstracts/search?q=HRMC" title=" HRMC"> HRMC</a> </p> <a href="https://publications.waset.org/abstracts/38320/orientational-pair-correlation-functions-modelling-of-the-licl6h2o-by-the-hybrid-reverse-monte-carlo-using-an-environment-dependence-interaction-potential" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/38320.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">471</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div class="container"> <div style="background-color:#f5f5f5;" class="p-3"> <div class="row"> <div class="col-md-2"> <ul class="list-unstyled"> About <li><a href="https://waset.org/page/support">About Us</a></li> <li><a href="https://waset.org/page/support#legal-information">Legal</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/WASET-16th-foundational-anniversary.pdf">WASET celebrates its 16th foundational anniversary</a></li> </ul> </div> <div class="col-md-2"> <ul class="list-unstyled"> Account <li><a href="https://waset.org/profile">My Account</a></li> </ul> </div> <div class="col-md-2"> <ul class="list-unstyled"> Explore <li><a href="https://waset.org/disciplines">Disciplines</a></li> <li><a href="https://waset.org/conferences">Conferences</a></li> <li><a href="https://waset.org/conference-programs">Conference Program</a></li> <li><a href="https://waset.org/committees">Committees</a></li> <li><a href="https://publications.waset.org">Publications</a></li> </ul> </div> <div class="col-md-2"> <ul class="list-unstyled"> Research <li><a href="https://publications.waset.org/abstracts">Abstracts</a></li> <li><a href="https://publications.waset.org">Periodicals</a></li> <li><a href="https://publications.waset.org/archive">Archive</a></li> </ul> </div> <div class="col-md-2"> <ul class="list-unstyled"> Open Science <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/Open-Science-Philosophy.pdf">Open Science Philosophy</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/Open-Science-Award.pdf">Open Science Award</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/Open-Society-Open-Science-and-Open-Innovation.pdf">Open Innovation</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/Postdoctoral-Fellowship-Award.pdf">Postdoctoral Fellowship Award</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/Scholarly-Research-Review.pdf">Scholarly Research Review</a></li> </ul> </div> <div class="col-md-2"> <ul class="list-unstyled"> Support <li><a href="https://waset.org/page/support">Support</a></li> <li><a href="https://waset.org/profile/messages/create">Contact Us</a></li> <li><a href="https://waset.org/profile/messages/create">Report Abuse</a></li> </ul> </div> </div> </div> </div> </div> <div class="container text-center"> <hr style="margin-top:0;margin-bottom:.3rem;"> <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank" class="text-muted small">Creative Commons Attribution 4.0 International License</a> <div id="copy" class="mt-2">© 2024 World Academy of Science, Engineering and Technology</div> </div> </footer> <a href="javascript:" id="return-to-top"><i class="fas fa-arrow-up"></i></a> <div class="modal" id="modal-template"> <div class="modal-dialog"> <div class="modal-content"> <div class="row m-0 mt-1"> <div class="col-md-12"> <button type="button" class="close" data-dismiss="modal" aria-label="Close"><span aria-hidden="true">×</span></button> </div> </div> <div class="modal-body"></div> </div> </div> </div> <script src="https://cdn.waset.org/static/plugins/jquery-3.3.1.min.js"></script> <script src="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/js/bootstrap.bundle.min.js"></script> <script src="https://cdn.waset.org/static/js/site.js?v=150220211556"></script> <script> jQuery(document).ready(function() { /*jQuery.get("https://publications.waset.org/xhr/user-menu", function (response) { jQuery('#mainNavMenu').append(response); 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