Molecular Dynamics simulations of crack propagation mode in silica

被引:0
|
作者
Van Brutzel, L [1 ]
Bouchaud, E [1 ]
机构
[1] CEA Saclay, SRMP, F-91191 Gif Sur Yvette, France
关键词
D O I
暂无
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Using Molecular Dynamics simulations, we investigate the initiation and the propagation of a crack at the atomic scale in beta-cristobalite and in amorphous silica. It was found that in the crystal the crack propagates by decohesion whereas in the amorphous the crack propagates by growth and coalescence of cavities like in ductile materials. These different behaviors find their origin in the differences of the two structures.
引用
收藏
页码:231 / 235
页数:5
相关论文
共 50 条
  • [41] Relaxation mode analysis for molecular dynamics simulations of proteins
    Mitsutake A.
    Takano H.
    Biophysical Reviews, 2018, 10 (2) : 375 - 389
  • [42] Molecular dynamics simulation and experimental study of the material machinability characteristics and crack propagation mechanisms for fused silica double nanoscratches
    Zhao, Jun
    Chen, Shiwei
    Li, Wuqian
    Lan, Yeshen
    Khudoley, Andrei
    Zhang, Qingchun
    Yao, Chen
    Wang, Zixuan
    TRIBOLOGY INTERNATIONAL, 2024, 199
  • [43] MOLECULAR-DYNAMICS COMPUTER-SIMULATIONS OF SILICA AEROGELS
    POHL, PI
    FAULON, JL
    SMITH, DM
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1995, 186 : 349 - 355
  • [44] Ab initio Molecular Dynamics Simulations of the Hydroxylation of Nanoporous Silica
    Rimsza, J. M.
    Du, Jincheng
    JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2015, 98 (12) : 3748 - 3757
  • [45] Molecular dynamics simulations of friction forces between silica nanospheres
    Sun, Weifu
    Mai, Yiu-Wing
    COMPUTATIONAL MATERIALS SCIENCE, 2019, 162 : 96 - 110
  • [46] Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
    Bourg, Ian C.
    Steefel, Carl I.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (21): : 11556 - 11564
  • [47] Molecular Dynamics Simulations of the Interface between Porous and Fused Silica
    田野
    袁晓东
    胡东霞
    郑万国
    韩伟
    Chinese Physics Letters, 2020, 37 (10) : 48 - 51
  • [48] Molecular dynamics simulations of shock propagation in high strength ceramics
    Kalia, RK
    Nakano, A
    Vashishta, P
    Proceedings of the HPCMP, Users Group Conference 2005, 2005, : 240 - 243
  • [49] Molecular Dynamics Simulations of the Interface between Porous and Fused Silica
    Tian, Ye
    Yuan, Xiaodong
    Hu, Dongxia
    Zheng, Wanguo
    Han, Wei
    CHINESE PHYSICS LETTERS, 2020, 37 (10)
  • [50] Thermal wave propagation in graphene studied by molecular dynamics simulations
    Wen-Jun Yao
    Bing-Yang Cao
    Chinese Science Bulletin, 2014, 59 (27) : 3495 - 3503