Molecular dynamics (MD) simulation has enhanced our understanding about ductile-regime
machining of brittle materials such as silicon and germanium. In particular, MD simulation …

We present an open-source software framework called PERMIX for multiscale modeling and
simulation of fracture in solids. The framework is an object oriented open-source effort …

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 …

Abstract 3C–SiC (the only polytype of SiC that resides in a diamond cubic lattice structure) is
a relatively new material that exhibits most of the desirable engineering properties required …

Reliable prediction and thorough understanding of crack growth in engineering materials
and structures are of challenging problems, but scientific and technical community has been …

The micro-damage associated with diffuse fracture processes in quasi-brittle materials can
be described by continuum damage mechanics. In order to overcome the mesh dependence …

The paper presents a multiscale method for crack propagation. The coarse region is
modelled by the differential reproducing kernel particle method. Fracture in the coarse scale …

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 …

Micromechanical constitutive parameters are important for many engineering materials,
typically in microelectronic applications and material design. Their accurate identification …