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Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations
Brad Lee Holian,Peter S. Lomdahl +1 more
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In this article, nonequilibrium molecular-dynamics simulations of shock waves in three-dimensional 10-million atom face-centered cubic crystals with cross-sectional dimensions of 100 by 100 unit cells were presented.Abstract:
Nonequilibrium molecular-dynamics simulations of shock waves in three-dimensional 10-million atom face-centered cubic crystals with cross-sectional dimensions of 100 by 100 unit cells show that the system slips along all of the available {111} slip planes, in different places along the nonplanar shock front. Comparison of these simulations with earlier ones on a smaller scale not only eliminates the possibility that the observed slippage is an artifact of transverse periodic boundary conditions, but also reveals the richness of the nanostructure left behind. By introducing a piston face that is no longer perfectly flat, mimicking a line or surface inhomogeneity in the unshocked material, it is shown that for weaker shock waves (below the perfect-crystal yield strength), stacking faults can be nucleated by preexisting extended defects.read more
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Shock waves in quasicrystals
TL;DR: In this paper, the authors studied shock wave properties in an Al-Cu-Li-type model quasicrystal, in a closely related crystal structure, the C15 (MgCu 2 ) Laves phase, and in an amorphous solid.
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Effect of particle packing and density on shock response in ordered arrays of Ni + Al nanoparticles
TL;DR: The results indicate the important role of particle coordination number and density in shock response of energetic powder materials and suggest a relatively weak dependency on the stacking mode with the same density.
Journal ArticleDOI
Crystalline anisotropy of shock-induced phenomena: Omni-directional multiscale shock technique
Kohei Shimamura,Masaaki Misawa,Satoshi Ohmura,Fuyuki Shimojo,Rajiv K. Kalia,Aiichiro Nakano,Priya Vashishta +6 more
TL;DR: In this article, an omni-directional multiscale shock technique (OD-MSST) was proposed to study the shock wave in an arbitrary direction of crystalline materials, atomistically based on the molecular dynamics simulation method.
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Mesoscale simulations of shockwave energy dissipation via chemical reactions
TL;DR: In this article, the authors use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwaveloading conditions.
Journal ArticleDOI
An extended analysis of the viscosity kernel for monatomic and diatomic fluids
TL;DR: In this paper, an extended analysis of the wavevector dependent shear viscosity of monatomic and diatomic (liquid chlorine) fluids over a wide range of wavevectors and for a variety of state points is presented.
References
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Journal ArticleDOI
Shock-wave structure via nonequilibrium molecular dynamics and Navier-Stokes continuum mechanics
TL;DR: In this article, a strong steady dense-fluid shock wave is simulated with 4800-atom nonequilibrium molecular dynamics, and the resulting density, stress, energy, and temperature profiles are compared with corresponding macroscopic profiles derived from Navier-Stokes continuum mechanics.
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Fracture simulations using large-scale molecular dynamics
Brad Lee Holian,Ramon Ravelo +1 more
TL;DR: It is found that the can suppress ductile behavior by including viscous damping in the equations of motion, thereby demonstrating a transition to brittle crack propagation as static, zero-strain-rate conditions are approached.
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Dislocation Dynamics and Dynamic Yielding
TL;DR: In this article, the dislocation dynamics of Gilman and Johnston were applied to the problem of elastic elastic flow in Armco iron at very high strain rates, and the initial density of dislocation lines, N0, was found to be 2.0×108 cm−2.
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Large-Scale Molecular Dynamics Simulations of Three-Dimensional Ductile Failure
TL;DR: In this paper, the authors performed massively parallel 3D molecular dynamics simulations with up to 35 million atoms to investigate ductile failure, obtaining mechanistic information at the atomistic level inaccessible to experiment.
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A mechanism for dislocation generation in shock-wave deformation
TL;DR: Hornbogen as discussed by the authors proposed a modification to Smith's (9) model, based on the fact that shockloaded iron (between 7 and II GPa) presents a substructure characterized by straight screw dislocations.