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 …

Molecular Dynamics simulations of heat conduction in liquid Argon confined in Silver nano-
channels are performed subject to three different thermal conditions. Particularly, different …

Progress in the development of coupled atomistic–continuum methods for simulations of
critical dynamic material behavior has been hampered by a spurious wave reflection …

Use of electronics requires improved thermal packaging and management, and the
development of efficient cooling techniques for them is a key application of microscale heat …

Fourier's law leads to a diffusive model of heat transfer in which a thermal signal propagates
infinitely fast and the only material parameter is the thermal conductivity. In micro-and nano …

The non-local model of heat transfer, used to describe the deviations of the temperature field
from the well-known prediction of Fourier/Cattaneo models experienced in complex media …

Energy transport equations are derived directly from full molecular dynamics models as
coarse-grained description. With the local energy chosen as the coarse-grained variables …

We use molecular dynamics simulations to investigate how the energy input and distribution
in contacts affect the thermal transport in silicon as described by the Stillinger-Webber …

This study investigates the use of equilibrium molecular dynamics (EMD) simulations for
determining interfacial thermal resistance (ITR) at solid-liquid interfaces. The Green-Kubo …

Non-equilibrium molecular dynamics (NEMD) simulations universally rely on thermostats to
control temperature. The thermostat-induced alteration in the system dynamics that enables …