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Kinetics of bonds at structural breakdown in boron carbide under intensive loads: A molecular dynamics study
Bystrenko, O; Jiang, J; Dong, F; Li, X; Qiu, J; Liu, J; Zhang, J
2020-07-01
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
ISSN0927-0256
SubtypeArticle
AbstractIn this work, the kinetics of destruction of boron carbide subjected to mechanical loads was studied based on molecular dynamics method using the reactive force field approach to describe the inter-atomic interactions. In simulations, kinetics of bonds for the configurations (B-12)(CCC) and (B11Cp)(CBC) and the behavior of stress tensor and temperature were monitored. The results of simulations indicate that the structural collapse in boron carbide under uniaxial loads is associated in first place with breaking the intra-icosahedral bonds, while the inter-icosahedral bonds are affected with some delay and much less. In a number of runs, the irreversibility of structural changes occurring at structural breakdown is demonstrated.
DOI10.1016/j.commatsci.2020.109711
WOS KeywordAMORPHIZATION
Language英语
WOS Research AreaMaterials Science
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27930
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Bystrenko, O,Jiang, J,Dong, F,et al. Kinetics of bonds at structural breakdown in boron carbide under intensive loads: A molecular dynamics study[J]. COMPUTATIONAL MATERIALS SCIENCE,2020.
APA Bystrenko, O.,Jiang, J.,Dong, F.,Li, X.,Qiu, J.,...&Zhang, J.(2020).Kinetics of bonds at structural breakdown in boron carbide under intensive loads: A molecular dynamics study.COMPUTATIONAL MATERIALS SCIENCE.
MLA Bystrenko, O,et al."Kinetics of bonds at structural breakdown in boron carbide under intensive loads: A molecular dynamics study".COMPUTATIONAL MATERIALS SCIENCE (2020).
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