Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

Indentation is a remarkably flexible mechanical test due to its relative experimental
simplicity. Coupled with advances in instrument development, ease of implementation has …

A modification of the nudged elastic band method for finding minimum energy paths is
presented. One of the images is made to climb up along the elastic band to converge …

An improved way of estimating the local tangent in the nudged elastic band method for
finding minimum energy paths is presented. In systems where the force along the minimum …

Nanocrystalline metals, ie, metals in which the grain size is in the nanometer range, have a
range of technologically interesting properties including increased hardness and yield …

The interaction between screw dislocations and coherent twin boundaries has been studied
by means of molecular dynamics simulations for Al, Cu and Ni. Depending on the material …

The problem of finding minimum energy paths and, in particular, saddle points on high
dimensional potential energy surfaces is discussed. Several different methods are reviewed …

In the past twenty years, new experimental approaches, improved models and progress in
simulation techniques have brought new insights into longstanding issues concerning …

Abstract The Quasicontinuum (QC) Method, originally conceived and developed by Tadmor,
Ortiz and Phillips [1] in 1996, has since seen a great deal of development and application by …

Dislocation cross-slip is introduced as an essential detail mechanism in plastic deformation
with implications for strain rate, recovery, hardening, and structural evolution. Different cross …