33A-1: 1-4 KH2PO4 [F]: 1 Fundamentals, 2 Material preparation, 3 Crystal structure, 4 Lattice distortion

2006 ◽  
pp. 1-44
Author(s):  
E. Nakamura ◽  
M. Komukae ◽  
T. Osaka
Keyword(s):  
Crystal Structure ◽  
Lattice Distortion ◽  
Material Preparation

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.

Synthesis, crystal structure, and magnetic properties of oxynitride perovskites SrMn0.2M0.8O2.6N0.4 (M = Nb, Ta)

2020 ◽  
Vol 49 (19) ◽  
pp. 6471-6477
Author(s):  
Young-Il Kim ◽  
Maxim Avdeev
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Lattice Distortion ◽  
Paramagnetic Behavior

Oxynitride perovskites with octahedral Mn2+ display a paramagnetic behavior and an unusual lattice distortion.

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