Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1559833 | Computational Materials Science | 2016 | 7 Pages |
Abstract
The structural changes in boron carbide B4C under non-hydrostatic stresses were studied by quantum molecular dynamics simulation. Three different structural changes were observed: abrupt and continuous bending of three-atomic chain and the disordering of the structure. The differences between them are discussed in terms of crystal symmetry. The existence of special deformation direction could activate abrupt bending above 40 GPa, while at quasi-hydrostatic loading structure remains stable up to 70 GPa. Crystal defects can reduce threshold value of stress therefore explain possible structural transitions observed in some experiments.
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Pavel Korotaev, Pavel Pokatashkin, Aleksey Yanilkin,