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在“Elsevier电子期刊”中，命中：3,287条，耗时：0.0390162 秒

在所有数据库中总计命中：3,140条

1.Atomistic simulations of screw dislocations in bcc tungsten: From core structures and static properties to interaction with vacancies

作者：Ke Xu^a ; ^b ; Liang-Liang Niu^a ; ^b ; ^c ; Shuo Jin^a ; ^b ; ^{jinshuo@buaa.edu.cn} ; Xiaolin Shu^a ; ^b ; Hongxian Xie^d ; Lifang Wang^a ; ^b ; Guang-Hong Lu^a ; ^b

关键词：Screw dislocations ; Tungsten ; Vacancies ; Atomistic simulations

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2017

2.Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

作者：S.I. Rao^b ; ^c ; ^{satish.rao@epfl.ch} ; C. Varvenne^c ; ^d ; C. Woodward^a ; T.A. Parthasarathy^b ; D. Miracle^a ; O.N. Senkov^b ; W.A. Curtin^c

关键词：Dislocations ; Atomistic simulations ; Concentrated multicomponent solid solution alloy ; BCC crystal

刊名：Acta Materialia

出版年：2017

3.Atomistic simulation for deforming complex alloys with application toward TWIP steel and associated physical insights

作者：Peng Wang^a ; Shaofeng Xu^a ; Jiabin Liu^b ; Xiaoyan Li^c ; Yujie Wei^d ; Hongtao Wang^a ; ^{htw@zju.edu.cn} ; Huajian Gao^e ; ^{huajian_gao@brown.edu} ; Wei Yang^a ; ^{yangwei@nsfc.gov.cn}

关键词：Molecular dynamics simulation ; Deformation twinning ; Stacking faults ; Dislocations

刊名：Journal of the Mechanics and Physics of Solids

出版年：2017

4.Effect of grain size on apparent diffusivity in nanocrystal α-iron by atomistic simulation

作者：Mina Mohammadzadeh^a ; ^{mohammadzadeh87@ut.ac.ir} ; Roghayeh Mohammadzadeh^b ; ^{r.mohammadzadeh@azaruniv.ac.ir}

关键词：Molecular dynamics simulation ; Nanocrystal ; bcc iron ; Grain size ; Effective diffusivity

刊名：Computational Materials Science

出版年：2017

5.Atomistic simulation of hydrogen-assisted ductile-to-brittle transition in α-iron

作者：Xiao Xing ; Mengshan Yu ; Weixing Chen ; Hao Zhang ; ^{hao.zhang@ualberta.ca}

关键词：Hydrogen embrittlement ; Molecular dynamics simulations ; Steel ; Hydrogen diffusion

刊名：Computational Materials Science

出版年：2017

6.Atomistic modeling of nanoparticle generation in short pulse laser ablation of thin metal films in water

作者：Cheng-Yu Shih ; Chengping Wu ; Maxim V. Shugaev ; Leonid V. Zhigilei ; ^{lz2n@virginia.edu}

关键词：Pulsed laser ablation in liquids ; Molecular dynamics simulations ; Generation of nanoparticles by laser ablation

刊名：Journal of Colloid and Interface Science

出版年：2017

7.Atomistic prediction of plane stress behavior of glassy thermosets

作者：James C. Moller^a ; ^{mollerjc@miamioh.edu} ; Gary S. Kedziora^b ; Stephen A. Barr^c ; Timothy D. Breitzman^c ; Rajiv J. Berry^c

关键词：Atomistic simulation ; Plane stress ; Glassy thermosets

刊名：Computational Materials Science

出版年：2017

8.Molecular simulations of polyamide membrane materials used in desalination and water reuse applications: Recent developments and future prospects

作者：Harry F. Ridgway^a ; ^b ; ^{ridgway@vtc.net} ; John Orbell^a ; Stephen Gray^a

关键词：Å ; Angstrom ; AFM ; atomic force microscopy ; AMBER ; Assisted Model Building and Energy Refinement R. Salomon-Ferrer ; D.A. Case ; R.C. Walker ; An overview of the Amber biomolecular simulation package ; WIREs Comput. Mol. Sci. 3 (2012) 198&ndash ; 210 ; BSA ; Bovine serum albumin ; CA ; cellulose acetate ; CHARMM ; Chemistry at Harvard Molecular Mechanics ; MD code originally developed by Martin Karplus ; Harvard University ; CN ; cellulose nitrate ; CNT ; carbon nanotube ; CVFF ; Consistent Valence Force Field

刊名：Journal of Membrane Science

出版年：2017

9.Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni

作者：Shuozhi Xu^a ; ^{shuozhixu@gatech.edu" class="auth_mail" title="E-mail the corresponding author} ; Liming Xiong^b ; Youping Chen^c ; David L. McDowell^a ; ^d

关键词：Multiscale simulation ; Atomistic simulation ; Cross-slip ; FCC metal ; Plastic deformation

刊名：Acta Materialia

出版年：2017

10.Molecular dynamics simulations of cesium adsorption on illite nanoparticles

作者：Laura N. Lammers^a ; ^b ; ^{lnlammers@berkeley.edu} ; Ian C. Bourg^a ; ^c ; ^{bourg@princeton.edu} ; Masahiko Okumura^d ; ^{okumura.masahiko@jaea.go.jp} ; Kedarnath Kolluri^a ; ^{kedar.kolluri@gmail.com} ; Garrison Sposito^b ; ^{gsposito@berkeley.edu} ; Masahiko Machida^d ; ^{machida.masahiko@jaea.go.jp}

关键词：Radiocesium ; Molecular dynamics simulations ; Geochemistry

刊名：Journal of Colloid and Interface Science

出版年：2017

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