Concepedia

Molecular dynamics study on the correlation between structure and sensitivity for defective RDX crystals and their PBXs

Ji Jun Xiao, Song Yuan Li, Jun Chen, Guang Fu Ji, Wei Zhu, Feng Zhao, Qiang Wu, He Ming Xiao

Journal of Molecular Modeling · 2012 · 39 citations · 27 references

Concepts

Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMaterials PhysicsCrystallographyDefects In Electronic MaterialsElectronic Band StructureMolecular DynamicsStructure DeterminationX-ray CrystallographyCrystal ImperfectionsCrystallographic DefectsDefect DynamicsDefect Energetics In CrystalsElectronic Structure Of Defects

References

27

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

Natural Sciences, Chemistry, Physics +15

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

Natural Sciences, Computer Science, Physics +12

COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

Natural Sciences, Chemistry, Physics +17

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

Natural Sciences, Physics, Fluid Dynamics +7

The crystal structure of cyclotrimethylenetrinitramine

C. S. Choi, E. Prince · Acta Crystallographica Section B · 1972 · 480 citations

Natural Sciences, Chemistry, Materials Science +12