David J. Srolovitz

TL;DR: In this article, the authors re-examine pinned grain growth simulation results for a range of particle sizes for a variety of particle types and particle sizes, and present a detailed analysis of the results.

TL;DR: In this paper, the authors investigated a high-entropy alloy with a combination of Monte Carlo method, molecular dynamic simulation, and density-functional theory calculation, and showed that this alloy is energetically favorable to undergo short-range ordering (SRO), and the SRO leads to a pseudo-composite microstructure, which surprisingly enhances both the ultimate strength and ductility.

TL;DR: In this article, molecular dynamics simulations were employed to study atomic motion within stationary and migrating asymmetric tilt grain boundaries, and they employed several measures of the ''complexity'' of the atomic trajectories, including the van Hove correlation function, the non-Gaussian parameter, and dynamic entropy.

TL;DR: In this article, the mobility of low-angle grain boundaries in pure metals is reviewed and several theoretical treatments are provided; the approach that provides the best agreement with the available experimental data is one in which the mobility is controlled by vacancy diffusion through the bulk to (and from) the dislocations that comprise the boundary that are bowing out between pinning points.

TL;DR: In this paper, the authors employ very large scale molecular dynamics simulations to explicitly identify the relevant yield mechanisms for Cu nanowires with four distinct, experimentally realizable nanostructures: single crystal (SC), nanotwinned single crystal(NTSC), nanocrystal (NC) and nanotwined nanocrystals (NTNC).