Journal ArticleDOI
Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations
Brad Lee Holian,Peter S. Lomdahl +1 more
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TLDR
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
Citations
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Spatiotemporal behavior of void collapse in shocked solids.
TL;DR: It is found that the average velocity and the temperature of ejected molecules inside a cubic void are enhanced during the collapse because of the focusing of momentum and energy towards the centerline of a void.
Journal ArticleDOI
Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
TL;DR: In this paper, an extension of the model described in a previous work based on Dissipative Particle Dynamics is presented and applied to a liquid high explosive (HE), with thermodynamic properties mimicking those of liquid nitromethane.
Journal ArticleDOI
Shock-wave induced damage in lipid bilayers: a dissipative particle dynamics simulation study
TL;DR: In this paper, the effects of a high-speed impact on lipid bilayers were investigated with dissipative particle simulations at constant energy (DPDE) using a coarse-grained model.
Journal ArticleDOI
Structural Transformation and Melting in Gold Shock Compressed to 355 GPa.
Surinder M. Sharma,Stefan J. Turneaure,J. M. Winey,Yuelin Li,Yuelin Li,Paulo Rigg,Adam Schuman,Nicholas Sinclair,Y. Toyoda,Xiaoming Wang,Nicholas Weir,Jun Zhang,Yogendra M. Gupta +12 more
TL;DR: In situ x-ray diffraction measurements on shock-compressed gold show that it transforms to the body-centered-cubic (bcc) phase, in marked contrast to theoretical predictions and the reported observation of the hexagonal-close-packed structure under static compression.
Journal ArticleDOI
The relation between shock-state particle velocity and free surface velocity: A molecular dynamics study on single crystal Cu and silica glass
TL;DR: In this article, the free surface velocity is obtained as a function of the particle velocity behind the shock front (or shock stress) for loading on Cu along ⟩100⟩, ⟨110⟵, and ⟦111⟎, and on the isotropic glass.
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.