David J. Srolovitz

TL;DR: In this article, a series of molecular dynamics simulations of asperity contact and separation in a model metallic system for both symmetric and asymmetric as perity geometries, for loading in the [001, [110, and [111] directions, and for systems with different works of adhesion Γ.

TL;DR: The mechanism for liquid metal embrittlement is identified, a new model for it is developed, and it is shown that is in excellent agreement with both simulation and experimental data.

TL;DR: In this paper, the authors examined several basic issues related to the properties of the interface stiffness, especially the determination of the interfaces stiffness in particular directions (i.e., the commonly used scalar form of interface stiffness).

TL;DR: In this article, molecular dynamics simulations of the glass transition through isobaric and isochoric cooling of a model polymeric material were performed, and it was shown that the transition is primarily associated with freezing of the torsional degrees of the polymer chains which is strongly coupled to the degree of freedom associated with the nonbonded Lennard-Jones potential.

TL;DR: In this paper, the authors employ EAM potentials optimized for Al-Ga binary alloys in a series of molecular dynamics simulations of an Al bicrystal (with a $\ensuremath{\Sigma}5$ 36.9\ifmmode^\circ\else\textdegree\fi{}(301)/[010] symmetric tilt boundary) in contact with liquid Ga with and without an applied stress.