We use molecular dynamics (MD) to perform an extensive characterization of the thermo-
mechanical response of a thermoset polymer composed of epoxy EPON862 and curing …

Glasses exhibit spatially inhomogeneous elastic properties, which can be investigated by
measuring their elastic moduli at a local scale. Various methods to evaluate the local elastic …

This paper reports the thermomechanical properties of a thermosetting polymer formed by
curing a DGEBA resin with a Jeffamine D230 agent predicted by molecular dynamics (MD) …

The polymer dynamics of homogeneous C60–polystyrene mixtures in the molten state are
studied via molecular simulations using two interconnected levels of representation for …

In this study, we examined the structure, linear viscoelastic (LVE) properties, and nonlinear
shear and elongational properties of unentangled telechelic ionomers based on either …

The nucleation of cavities in a homogeneous polymer under tensile strain is studied in a
coarse‐grained MD simulation. To establish a causal relation between local microstructure …

An amorphous/crystalline metallic composite (A/C-MC) integrates metallic glass with
crystalline metals in one system. The amorphous-crystalline interface (ACI) in A/C-MCs …

A mesoscopic model for shear plasticity of amorphous materials in two dimensions is
introduced, and studied through numerical simulations in order to elucidate the macroscopic …

The influence of the inclusion of a silica nanoparticle on the spatial distribution of the local
stresses and the locally resolved excess Helmholtz free energy of sorption of small …

Coarse-grained molecular dynamics simulation of polycarbonate is utilized to investigate the
relationship between molecular structure (ie, polydispersity and molecular spatial …