The mechanisms of plasticity in metal nanowires with diameters below 100 nm are
reviewed. At these length scales, plasticity in face-centered-cubic metals subjected to …

We have used a two-temperature nonequilibrium molecular dynamics method for predicting
interfacial thermal resistance across metal-nonmetal interfaces. This method is an extension …

This paper presents a new methodology for coarse-grained atomistic simulation of
dislocation dynamics. The methodology combines an atomistic formulation of balance …

Significant differences exist among literature for thermal conductivity of various systems
computed using molecular dynamics simulation. In some cases, unphysical results, for …

Despite the long history of dislocation–phonon interaction studies, there are many problems
that have not been fully resolved during this development. These include an incompatibility …

The fracture behavior of a graphene sheet, containing a center crack (length of 2a) was
characterized based on the atomistic simulation and the concept of continuum mechanics …

We present a material frame formulation analogous to the spatial frame formulation
developed by Hardy, whereby expressions for continuum mechanical variables such as …

Irving and Kirkwood [J. Irving and JG Kirkwood, The statistical mechanical theory of transport
processes. IV. The equations of hydrodynamics, J. Chem. Phys. 18, 817 (1950) …

Large-scale molecular dynamics simulations are used to study strain and stress localization
in atomistic polycrystalline FCC digital samples in a thin-film configuration, deformed in …

This work presents the recent progress in the development of the concurrent atomistic-
continuum (CAC) method for coarse-grained space-and time-resolved atomistic simulations …