Atomistic-based multiscale and molecular dynamics modeling are powerful tools to simulate
the localized strain problems, offering tremendous opportunities to bridge the knowledge …

In this manuscript a concurrent coupling scheme is presented to model three dimensional
cracks and dislocations at the atomistic level. The scheme couples molecular dynamics to …

Taking the two-phase material as a model system, here we perform atomistic-to-microscale
computational analysis on how the dislocations pileup is formed at a buried interface …

Dislocation interactions with distributed condensed vacancy clusters in fcc metals were
simulated via a concurrent atomistic–continuum method. Due to void strengthening, the …

Dislocations and heat conduction are essential components that influence properties and
performance of crystalline materials, yet the modelling of which remains challenging partly …

In this work, we present a concurrent atomistic-continuum (CAC) method for modeling and
simulation of crystalline materials. The CAC formulation extends the Irving-Kirkwood …

A well-known intragranular dislocation source, the Frank-Read (FR) source plays an
important role in size-dependent dislocation multiplication in crystalline materials. Despite a …

This paper develops a coupled concurrent atomistic–continuum multiscale model for
analyzing crack propagation and associated mechanisms in crystalline metallic materials …

We propose a method to couple a three-dimensional continuum domain to a molecular
dynamics domain to simulate propagating cracks in dynamics. The continuum domain is …

Dynamic fracture is a complex multiscale physical phenomenon. The process occurs in
multiple time and length scales. Macroscopic behaviors such as crack instability and …