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Multimillion-to-billion atom molecular dynamics simulations of deformation, damage, nanoindentation, and fracture in silica glass and energetic materials
Nanoindentation of silicon carbide and sulfur-induced embrittlement of nickel
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Heat-initiated oxidation of aluminum nanoparticles
Model, identification & analysis of complex stochastic systems: applications in stochastic partial differential equations and multiscale mechanics
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Performance optimization of scientific applications on emerging architectures
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Molecular dynamics study of energetic materials
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Dynamics of wing cracks and nanoscale damage in silica glass
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Improved thermodynamics of the dense solar plasma and molecular-dynamics simulations of the nuclear-reaction rates
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High throughput computational framework for synthesis and accelerated discovery of dielectric polymer materials using polarizable reactive molecular dynamics and graph neural networks
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Molecular dynamics and virial expansions for equilibrium thermodynamics in the solar interior
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Model-guided performance tuning for application-level parameters
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Shock sensitivity of energetic material and nanometric damage mechanisms in silica glass
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Thermal properties of silicon carbide and combustion mechanisms of aluminum nanoparticle
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Hypervelocity impact damage in alumina
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High-performance linear algebra on reconfigurable computing systems
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