Abstract In-plane Transition Metal Dichalcogenides (TMDs) heterostructures hold immense
potential for various applications in the modern semiconductor industry, including …

A concurrent atomic-to-continuum multiscale method for finite-temperature simulation with
large-scale parallel computation is developed. Seamless and stable coupling between …

This work aims at a quantitative and mechanistic understanding of the dynamic process of
the phonon-dislocation interaction in PbTe/PbSe (001) heterostructures using the …

In this work, a field representation of the conservation law of linear momentum is derived
from the atomistic, using the theory of distributions as the mathematical tool, and expressed …

The transient processes of phonon scattering and transmission in Si phononic crystals with
periodic pores are simulated using the concurrent atomistic-continuum method. The nature …

We present a molecular dynamics study of the thermal transport properties of PbTe/PbSe (1
1 1) and PbTe/PbSe (1 0 0) interfaces at room temperature. The PbTe/PbSe heterostructures …

The dynamic interaction between phonons and dislocations in LiF has been studied using
molecular dynamics simulations. The simulations have captured the strong dynamic …

This work introduces a theoretical formulation and develops numerical methods for finite
element implementation of the formulation so as to extend the concurrent atomistic …

The contribution presents atomistic modeling of the proximate crack tip and notch stress
fields through molecular dynamics method. The study is aspired to comparing atomistic …

Аннотация Проведено сравнительное сопоставление результатов вычислительных
имитационных экспериментов по определению траекторий распространения …