David J. Srolovitz

TL;DR: In this paper, the structure and thermodynamic properties of a Σ5 (001) twist boundary in gold are studied as a function of temperature, and the temperature dependences of the excess grain boundary free energy, enthalpy, entropy, specific heat, and excess volume are calculated.

TL;DR: In this article, the authors investigated the nanoscale friction between diamond-structure silicon (Si) and diamond via molecular dynamics simulation, where the interaction between the interfaces is considered as strong covalent bonds.

TL;DR: In this article, a computer model has been developed in order to simulate the low temperature ductile fracture of metals which contain arrays of holes or voids, and the simulation models the step-wise character of the strain-induced hole linking process assuming an initial hole microstructure, localized plasticity near holes, and a strain-based criterion for failure of ligaments between holes.

TL;DR: In this paper, the influence of the boundary plane on grain-boundary diffusion in Ni through a series of molecular dynamics simulations was examined, and it was shown that the activation energy for self-diffusion in a (103) symmetric tilt boundary is much higher than in boundaries with other inclinations.

TL;DR: In this paper, the authors present a transparent analysis of the effect of stress on the wetting angles that describe equilibrium three-phase junctions in solid-solid systems, and show that the impact of stress is independent of the elasticity of the system.