Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

Prediction of material performance in fusion reactor environments relies on computational
modelling, and will continue to do so until the first generation of fusion power plants come on …

Pellet-based extrusion deposition of carbon fiber-reinforced composites at high material
deposition rates has recently gained much attention due to its applications in large-scale …

The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to
bridge the scales from individual atoms to the micro-and mesoscales. A crucial cornerstone …

A generalization of the quasi-continuum (QC) method to finite temperature is presented. The
resulting" hot-QC" formulation is a partitioned domain multiscale method in which atomistic …

This paper reviews classical theories of coarse-graining and gives a short introduction to
representative coarse-grained atomistic models that were developed based on structure …

We present a phonon dynamics-based finite-temperature coarse-grained (FT-CG) atomistic
approach for characterizing the kink-controlled dislocation dynamics in high-Peierls-barrier …

We apply the HotQC method of Kulkarni et al.(J Mech Phys Solids 56: 1417–1449, 2008) to
the study of quasistatic void growth in copper single crystals at finite temperature under …

A direct multiscale method coupling molecular dynamics to finite element simulations is
introduced to study the contact area evolution of rough surfaces under normal loading. First …

In this work we apply a material-frame, kernel-based estimator of continuum fields to atomic
data in order to estimate the J-integral for the analysis of an atomically sharp crack at finite …