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The effect of introducing stochasticity to kinetic mean-field calculations: Comparison with lattice kinetic Monte Carlo in case of regular solid solutions

JOURNAL ARTICLE published January 2020 in Computational Materials Science

Authors: Tetyana V. Zaporozhets | Andriy Taranovskyy | Gabriella Jáger | Andriy M. Gusak | Zoltán Erdélyi | János J. Tomán

https://doi.org/10.1016/j.commatsci.2019.109251 Actions

Numerical simulation of mechanical properties in nanoporous membrane

JOURNAL ARTICLE published November 2013 in Computational Materials Science

Research funded by National Natural Science Foundation of China (11202156,10932007,11021202)

Authors: SuXin Pan | YiFeng Hu | Qun Li

https://doi.org/10.1016/j.commatsci.2013.06.042 Actions

Mesoscale finite element prediction of concrete failure

JOURNAL ARTICLE published May 2011 in Computational Materials Science

Authors: Sharif Shahbeyk | Morteza Hosseini | Mohammadreza Yaghoobi

https://doi.org/10.1016/j.commatsci.2011.01.044 Actions

A computational procedure for evaluating the J-integral for mode І crack in welds: A 3-D finite element analysis

JOURNAL ARTICLE published July 2009 in Computational Materials Science

Authors: Chin-Hyung Lee | Kyong-Ho Chang

https://doi.org/10.1016/j.commatsci.2009.02.021 Actions

Finite element analysis of void growth behavior in nickel-based single crystal superalloys

JOURNAL ARTICLE published May 2010 in Computational Materials Science

Research funded by Ministry of Education of the People's Republic of China (20060699033,20080699105) | National Natural Science Foundation of China (10802065,50775183)

Authors: Q.M. Yu | N.X. Hou | Z.F. Yue

https://doi.org/10.1016/j.commatsci.2010.02.028 Actions

Efficient supercell design for surface and interface calculations of hexagonal phases: α-Al2O3 case study

JOURNAL ARTICLE published January 2011 in Computational Materials Science

Authors: Darwin P. Sigumonrong | Denis Music | Jochen M. Schneider

https://doi.org/10.1016/j.commatsci.2010.11.020 Actions

Micromechanical local approach to brittle failure in bainite high resolution polycrystals: A short presentation

JOURNAL ARTICLE published November 2012 in Computational Materials Science

Authors: C.N. N’Guyen | F. Barbe | N. Osipov | G. Cailletaud | B. Marini | C. Petry

https://doi.org/10.1016/j.commatsci.2012.03.034 Actions

Structural and electronic properties of CuInS2 nanowire: A study of density functional theory

JOURNAL ARTICLE published June 2014 in Computational Materials Science

Authors: Payman Nayebi | Kavoos Mirabbaszadeh | Mahnaz Shamshirsaz

https://doi.org/10.1016/j.commatsci.2014.03.060 Actions

Effects of grain size distribution and stress heterogeneity on yield stress of polycrystals: A numerical approach

JOURNAL ARTICLE published September 2013 in Computational Materials Science

Authors: F. Lavergne | R. Brenner | K. Sab

https://doi.org/10.1016/j.commatsci.2013.04.061 Actions

Editorial Board

JOURNAL ARTICLE published December 2022 in Computational Materials Science

https://doi.org/10.1016/s0927-0256(22)00575-4 Actions

Carbon nanotube-carbyne composite: A nanoreactor in a quasi-1D liquid state

JOURNAL ARTICLE published June 2018 in Computational Materials Science

Research funded by National Natural Science Foundation of China (21673087) | Startup Fund (2006013118,3004013105) | Independent Innovation Research Fund (0118013090)

Authors: Eric Ganz | Ariel B. Ganz | Li-Ming Yang | Matthew Dornfeld

https://doi.org/10.1016/j.commatsci.2018.03.020 Actions

Simulated rhythmic growth of targeted single crystal by polymer phase-field model

JOURNAL ARTICLE published February 2013 in Computational Materials Science

Authors: D. Wang | Z.K. Jin | Y. Xing | H. Gao | X.K. Wang

https://doi.org/10.1016/j.commatsci.2012.08.016 Actions

Mechanical and electronic properties of C60 under structure distortion studied with density functional theory

JOURNAL ARTICLE published October 2007 in Computational Materials Science

Authors: Z.Y. Wang | K.H. Su | H.Q. Fan | L.D. Hu | X. Wang | Y.L. Li | Z.Y. Wen

https://doi.org/10.1016/j.commatsci.2007.02.003 Actions

Chain-length and tacticity effects on the conformational behavior of MMA-oligomer thin films on an Au (111) substrate

JOURNAL ARTICLE published June 2009 in Computational Materials Science

Authors: Shin-Pon Ju | Ming-Liang Liao | Ching-Ho Cheng | Wen-Jay Lee | Jee-Gong Chang

https://doi.org/10.1016/j.commatsci.2008.12.008 Actions

Improved calculation of vibrational mode lifetimes in anharmonic solids—Part I: Theory

JOURNAL ARTICLE published January 2010 in Computational Materials Science

Authors: Doyl Dickel | Murray S. Daw

https://doi.org/10.1016/j.commatsci.2009.10.011 Actions

Mechanical properties of platinum nanowires: An atomistic investigation on single-crystalline and twinned structures

JOURNAL ARTICLE published April 2012 in Computational Materials Science

Research funded by National Nature Science Foundation of China (10702056)

Authors: Yu-Hua Wen | Rao Huang | Zi-Zhong Zhu | Quan Wang

https://doi.org/10.1016/j.commatsci.2011.11.020 Actions

Structural, elastic, and quasiparticle bandstructure of 4,4′-Bis(nitramino)azofurazan from first principles theory

JOURNAL ARTICLE published November 2019 in Computational Materials Science

Research funded by ACRHEM (DRDO/02/0201/2011/00060) | CINES (x2018-085106)

Authors: S. Mondal | D. Rocca | S. Lebègue | G. Vaitheeswaran

https://doi.org/10.1016/j.commatsci.2019.109081 Actions

Numerical investigation on mechanical properties of graphene covering silicon nanofilms

JOURNAL ARTICLE published January 2017 in Computational Materials Science

Research funded by National Natural Science Foundation of China (51575246,61076098) | Six talent peaks project in Jiangsu Province (JXQC-006) | China Postdoctoral Science Special Foundation (2014T70476) | Innovative Science Foundation for Graduate Students of Jiangsu Province (KYLX15_1054,CXZZ13_0655,CXLX12_0622)

Authors: Yunqing Tang | Bing Yang | Haiying Yang | Ping Yang | Jianming Yang | Yongle Hu

https://doi.org/10.1016/j.commatsci.2016.09.031 Actions

Atomistic simulations on the mechanical properties of a silicon nanofilm covered with graphene

JOURNAL ARTICLE published August 2011 in Computational Materials Science

Research funded by National Science Foundation (Grant Nos. 0810294 and 0941497)

Authors: Yuhang Jing | N.R. Aluru

https://doi.org/10.1016/j.commatsci.2011.05.029 Actions

Multiple fermionic states with clear nontrivial surface signature in CsCl-type compound ErAs

JOURNAL ARTICLE published October 2020 in Computational Materials Science

Research funded by National Natural Science Foundation of China (11904074) | Nature Science Foundation of Hebei Province (E2019202222,E2019202107)

Authors: Weizhen Meng | Xiaoming Zhang | Tingli He | Lei Jin | Xuefang Dai | Guodong Liu

https://doi.org/10.1016/j.commatsci.2020.109815 Actions
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