An new equilibrium molecular-dynamics method (the uniaxial Hugoniostat) is proposed to study the energetics and deformation structures in shocked crystals. This method agrees well with nonequilibrium molecular-dynamics simulations used to study shock-wave propagation in solids and liquids.
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Shock-induced transformations in crystalline RDX: a uniaxial constant-stress Hugoniostat molecular dynamics simulation study.
J Chem Phys
July 2009
Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA.
Molecular dynamics (MD) simulations of uniaxial shock compression along the [100] and [001] directions in the alpha polymorph of hexahydro-1,3,5-trinitro-1,3,5-triazine (alpha-RDX) have been conducted over a wide range of shock pressures using the uniaxial constant stress Hugoniostat method [Ravelo et al., Phys. Rev.
View Article and Find Full Text PDFUniaxial Hugoniostat: a method for atomistic simulations of shocked materials.
Phys Rev E Stat Nonlin Soft Matter Phys
January 2001
CECAM, ENS-Lyon, 46 allée d'Italie, 69364 Lyon Cedex, France.
An new equilibrium molecular-dynamics method (the uniaxial Hugoniostat) is proposed to study the energetics and deformation structures in shocked crystals. This method agrees well with nonequilibrium molecular-dynamics simulations used to study shock-wave propagation in solids and liquids.
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