scholarly journals Crystal structure and morphology of β-HMX in acetone: A molecular dynamics simulation and experimental study

2017 ◽  
Vol 129 (4) ◽  
pp. 495-503 ◽  
Author(s):  
JUN TAO ◽  
XIAOFENG WANG
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Experimental Study ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Structure And Morphology

Molecular Dynamics Simulation of Nanoindentation on Diamond Crystal [100] Surface

2011 ◽  
Vol 399-401 ◽  
pp. 751-759
Author(s):  
Jian Liu ◽  
Jin Xing Kong ◽  
Da Jiang Lei ◽  
Ya Lin Zhang ◽  
Hai Feng Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Distortion ◽  
Diamond Crystal ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Bond Breaking ◽  
Light Load ◽  
Structure Changes

The nanoindentation of diamond crystal [100] surface is studied in this paper, by using molecular dynamics simulation method and Tersoff potential. The total number of atoms in the model is exceed to 2,000,000. The crystal structure changes and the bond formations of C atoms under pressure load are analyzed. A light load causes lattice distortion but cannot cause bond breaking or hybridization transition from sp3 to sp2. When the load is enough heavy, the energy be imposed on the workpiece will beyond the range of lattice distortion, which can cause bond break and hybridization transition from sp3 to sp2.

Crystal structure and molecular dynamics simulation of ubiquitin-like domain of murine parkin

2008 ◽  
Vol 1784 (7-8) ◽  
pp. 1059-1067 ◽  
Author(s):  
Koji Tomoo ◽  
Yasuhiro Mukai ◽  
Yasuko In ◽  
Hiroo Miyagawa ◽  
Kunihiro Kitamura ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation
Sign in / Sign up

Export Citation Format

Share Document