Search results for: S. E. H. Abaidia

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Abaidia</title> <meta name="description" content="Search results for: S. E. H. Abaidia"> <meta name="keywords" content="S. E. H. Abaidia"> <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" data-toggle="collapse" data-target="#navbarMenu" aria-controls="navbarMenu" aria-expanded="false" aria-label="Toggle navigation"> <span class="navbar-toggler-icon"></span> </button> <div class="w-100"> <div class="d-none d-lg-flex flex-row-reverse"> <form method="get" action="https://waset.org/search" class="form-inline my-2 my-lg-0"> <input class="form-control mr-sm-2" type="search" placeholder="Search Conferences" value="S. 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E. H. Abaidia"> <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> 2</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: S. E. H. Abaidia</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2</span> Physical Properties of Uranium Dinitride UN2 by Using Density Functional Theory (DFT and DFT+U)</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=T.%20Zergoug">T. Zergoug</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20E.%20H.%20Abaidia"> S. E. H. Abaidia</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Nedjar"> A. Nedjar</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20Y.%20Mokeddem"> M. Y. Mokeddem</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=uranium%20diNitride" title="uranium diNitride">uranium diNitride</a>, <a href="https://publications.waset.org/abstracts/search?q=UN2" title=" UN2"> UN2</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT%2BU" title=" DFT+U"> DFT+U</a>, <a href="https://publications.waset.org/abstracts/search?q=elastic%20properties" title=" elastic properties"> elastic properties</a> </p> <a href="https://publications.waset.org/abstracts/14079/physical-properties-of-uranium-dinitride-un2-by-using-density-functional-theory-dft-and-dftu" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/14079.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">449</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> Ab Initio Studies of Structural and Thermal Properties of Aluminum Alloys</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Saadi">M. Saadi</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20E.%20H.%20Abaidia"> S. E. H. Abaidia</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20Y.%20Mokeddem."> M. Y. Mokeddem.</a> </p> <p class="card-text"><strong>Abstract:</strong></p> We present the results of a systematic and comparative study of the bulk, the structural properties, and phonon calculations of aluminum alloys using several exchange–correlations functional theory (DFT) with different plane-wave basis pseudo potential techniques. Density functional theory implemented by the Vienna Ab Initio Simulation Package (VASP) technique is applied to calculate the bulk and the structural properties of several structures. The calculations were performed for within several exchange–correlation functional and pseudo pententials available in this code (local density approximation (LDA), generalized gradient approximation (GGA), projector augmented wave (PAW)). The lattice dynamic code “PHON” developed by Dario Alfè was used to calculate some thermodynamics properties and phonon dispersion relation frequency distribution of Aluminium alloys using the VASP LDA PAW and GGA PAW results. The bulk and structural properties of the calculated structures were compared to different experimental and calculated works. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=DFT" title="DFT">DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=exchange-correlation%20functional" title=" exchange-correlation functional"> exchange-correlation functional</a>, <a href="https://publications.waset.org/abstracts/search?q=LDA" title=" LDA"> LDA</a>, <a href="https://publications.waset.org/abstracts/search?q=GGA" title=" GGA"> GGA</a>, <a href="https://publications.waset.org/abstracts/search?q=pseudopotential" title=" pseudopotential"> pseudopotential</a>, <a href="https://publications.waset.org/abstracts/search?q=PAW" title=" PAW"> PAW</a>, <a href="https://publications.waset.org/abstracts/search?q=VASP" title=" VASP"> VASP</a>, <a href="https://publications.waset.org/abstracts/search?q=PHON" title=" PHON"> PHON</a>, <a href="https://publications.waset.org/abstracts/search?q=phonon%20dispersion" title="phonon dispersion ">phonon dispersion </a> </p> <a href="https://publications.waset.org/abstracts/21663/ab-initio-studies-of-structural-and-thermal-properties-of-aluminum-alloys" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/21663.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">486</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" 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Search results for: S. E. H. Abaidia