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A cell-based smoothed discrete shear gap method (CS-DSG3) based on the C0-type higher-order shear deformation theory for static and free vibration analyses of functionally graded plates

JOURNAL ARTICLE published November 2013 in Computational Materials Science

Authors: P. Phung-Van | T. Nguyen-Thoi | Loc V. Tran | H. Nguyen-Xuan

https://doi.org/10.1016/j.commatsci.2013.06.010 Actions

First-principles study on structural properties and phase stability of III-phosphide (BP, GaP, AlP and InP)

JOURNAL ARTICLE published January 2010 in Computational Materials Science

Authors: O. Arbouche | B. Belgoumène | B. Soudini | Y. Azzaz | H. Bendaoud | K. Amara

https://doi.org/10.1016/j.commatsci.2009.10.009 Actions

Atomistic study of structural, elastic, electronic and thermal properties of perovskites Ba(Ti,Zr,Nb)O3

JOURNAL ARTICLE published June 2007 in Computational Materials Science

Authors: N. Iles | A. Kellou | K. Driss Khodja | B. Amrani | F. Lemoigno | D. Bourbie | H. Aourag

https://doi.org/10.1016/j.commatsci.2006.10.012 Actions

Effects of single- and co-substitution of Ti on dehydrogenation of Mg 2 NiH 4 : A first-principles study

JOURNAL ARTICLE published June 2015 in Computational Materials Science

Research funded by Natural Sciences Foundation of China (51461002)

Authors: Liu-Ting Wei | Xiong-Ze Pan | Dong-Hai Wu | Hai-Chen Wang | Lin Shao | Jie Zheng | Bi-Yu Tang

https://doi.org/10.1016/j.commatsci.2015.03.009 Actions

Molecular dynamics simulations of irradiation defects in graphite: Single crystal mechanical and thermal properties

JOURNAL ARTICLE published February 2016 in Computational Materials Science

Authors: T. Trevethan | M.I. Heggie

https://doi.org/10.1016/j.commatsci.2015.11.012 Actions

Surface reactions and structural evolution of organosilicate glass under Ar plasma bombardment

JOURNAL ARTICLE published December 2015 in Computational Materials Science

Authors: J.M. Rimsza | Jincheng Du

https://doi.org/10.1016/j.commatsci.2015.08.040 Actions

Feasibility of crystalline isostructural X2Sb2Te5 (X = Ge, Si) phase change materials in memory storage devices: First principles calculations

JOURNAL ARTICLE published August 2016 in Computational Materials Science

Research funded by DAE-BRNS (2012/37P/43/BRNS)

Authors: Sonal Talreja | Khushboo Sharma | B.L. Ahuja

https://doi.org/10.1016/j.commatsci.2016.04.040 Actions

Oxygen-vacancy formation in LaMO3 (M= Ti, V, Cr, Mn, Fe, Co, Ni) calculated at both GGA and GGA +U levels

JOURNAL ARTICLE published March 2011 in Computational Materials Science

Authors: Wen Lai Huang | Qingshan Zhu | Wei Ge | Hongzhong Li

https://doi.org/10.1016/j.commatsci.2011.01.018 Actions

Analyzing Fe–Zn system using molecular dynamics, evolutionary neural nets and multi-objective genetic algorithms

JOURNAL ARTICLE published October 2009 in Computational Materials Science

Authors: Baidurya Bhattacharya | G.R. Dinesh Kumar | Akash Agarwal | Şakir Erkoç | Arunima Singh | Nirupam Chakraborti

https://doi.org/10.1016/j.commatsci.2009.04.023 Actions

A DFT study on corrosion mechanism of steel bar under water-oxygen interaction

JOURNAL ARTICLE published January 2020 in Computational Materials Science

Research funded by National Natural Science Foundation (51864003,51468004) | Guangxi Natural Science Foundation (2018GXNSFAA050127,GKAA18242007,GKAA18118029) | Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials (GXYSYF1811)

Authors: Zheng Chen | Yumei Nong | Jianhua Chen | Ye Chen | Bo Yu

https://doi.org/10.1016/j.commatsci.2019.109265 Actions

Molecular dynamics study of two dimensional silicon dioxides with in-plane negative Poisson’s ratio

JOURNAL ARTICLE published October 2018 in Computational Materials Science

Authors: Sina Safaei | Rouhollah Tavakoli | Mehdi Jafary-Zadeh

https://doi.org/10.1016/j.commatsci.2018.06.042 Actions

Phase-dependent mechanical properties of two-dimensional silica films: A molecular dynamics study

JOURNAL ARTICLE published February 2018 in Computational Materials Science

Research funded by National Natural Science Foundation of China (11602074)

Authors: Jin Zhang

https://doi.org/10.1016/j.commatsci.2017.10.005 Actions

Numerical simulation of the primary displacement damage in GaAs1−N with low nitrogen atomic content

JOURNAL ARTICLE published December 2021 in Computational Materials Science

Authors: Tongxuan Jia | Zujun Wang | Yuanyuan Xue | Qianli Jiao | Xie Yang | Xu Nie | Shankun Lai | Wuying Ma | Baoping He | Minbo Liu

https://doi.org/10.1016/j.commatsci.2021.110765 Actions

On the effect of quench rate on the structure of amorphous carbon

JOURNAL ARTICLE published February 1998 in Computational Materials Science

Authors: V. Rosato | M. Celino | L. Colombo

https://doi.org/10.1016/s0927-0256(97)00169-9 Actions

Ab initio study of point defects near stacking faults in 3C-SiC

JOURNAL ARTICLE published October 2016 in Computational Materials Science

Authors: Jianqi Xi | Bin Liu | Yanwen Zhang | William J. Weber

https://doi.org/10.1016/j.commatsci.2016.06.023 Actions

Investigation of native defects and impurities in X-N (X = Al, Ga, In)

JOURNAL ARTICLE published February 2021 in Computational Materials Science

Authors: Yingjie Chen | Liyuan Wu | Dan Liang | Pengfei Lu | Jianjun Wang | Jun Chen | Huawei Cao | Lihong Han

https://doi.org/10.1016/j.commatsci.2020.110169 Actions

Adsorption of polycyclic aromatic hydrocarbons on graphite surfaces

JOURNAL ARTICLE published October 2010 in Computational Materials Science

Authors: Thien Tran-Duc | Ngamta Thamwattana | Barry J. Cox | James M. Hill

https://doi.org/10.1016/j.commatsci.2010.03.001 Actions

Molecular dynamics simulations of the structural, elastic and thermodynamic properties of cubic BBi

JOURNAL ARTICLE published December 2008 in Computational Materials Science

Authors: K. Amara | B. Soudini | D. Rached | A. Boudali

https://doi.org/10.1016/j.commatsci.2008.04.023 Actions

Preface

JOURNAL ARTICLE published July 2010 in Computational Materials Science

Authors: Teng Yong Ng

https://doi.org/10.1016/j.commatsci.2010.03.036 Actions

Electronic properties of random surfaces

JOURNAL ARTICLE published March 1994 in Computational Materials Science

Authors: J. Kudrnovský | V. Drchal | S.K. Bose | I. Turek | P. Weinberger | A. Pasturel

https://doi.org/10.1016/0927-0256(94)90121-x Actions
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