Density and Spectral-Density Matrices in Atomistic-Scale Models
Abstract Not Provided
Materials Science(36)↗
Engineering topics
Valone, Steven M
Publications and source records attributed to Valone, Steven M.
Interfaces and Inclusions in Shock-Induced Damage in Two-Phase Metals: Copper-Lead
Abstract Not Provided
Materials Science(36)↗
Modeling Material Defects with the Fragment Hamiltonian Approach
Abstract Not Provided
Materials Science(36)↗
Concepts of fragment hardness and ionicity in atomistic models of materials
Abstract Not Provided
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
The role of interfaces on shock induced damage in two-phase metals
Abstract Not Provided
36 MATERIALS SCIENCE↗
Insights into hydrogen-actinide interactions from electronic structure modeling and simulation
Abstract Not Provided
36 MATERIALS SCIENCE↗
Modeling nickel surfaces and grain boundaries with the fragment Hamiltonian model
Abstract Not Provided
36 MATERIALS SCIENCE↗
Shock simulations on embedded-atom-method copper with GPU acceleration
Abstract Not Provided
36 MATERIALS SCIENCE↗
Structure and shock response of a sigma 11 asymmetric tilt grain boundary in copper at finite temperature
Abstract Not Provided
36 MATERIALS SCIENCE↗
Atomistic modeling of dislocation-interface interactions
Using atomic scale models and interface defect theory, we first classify interface structures into a few types with respect to geometrical factors, then study the interfacial shear response and further simulate the dislocation-interface interactions using molecular dynamics. The results show that the atomic scale structural characteristics of both heterophases and homophases interfaces play a crucial role in (i) their mechanical responses and (ii) the ability of incoming lattice dislocations to transmit across them.
36 MATERIALS SCIENCE↗