Unifying temperature definition in atomistic and field representations of conservation laws
Y Chen - Proceedings of the Royal Society A, 2024 - royalsocietypublishing.org
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 …
from the atomistic, using the theory of distributions as the mathematical tool, and expressed …
Atomistic modeling of diffusion processes at Al (Si)/Si (111) interphase boundaries obtained by vapor deposition
Molecular dynamics and parallel-replica dynamics simulations are applied to investigate the
atomic structures and diffusion processes at {\text {Al}\{111\}}\parallel {\text {Si}}\{111\} …
atomic structures and diffusion processes at {\text {Al}\{111\}}\parallel {\text {Si}}\{111\} …
Effects of misfit dislocations and dislocation mobility on thermal boundary resistance of PbTe/PbSe interfaces
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 …
1 1) and PbTe/PbSe (1 0 0) interfaces at room temperature. The PbTe/PbSe heterostructures …
Dynamic interaction between phonons and edge dislocations in LiF
The dynamic interaction between phonons and dislocations in LiF has been studied using
molecular dynamics simulations. The simulations have captured the strong dynamic …
molecular dynamics simulations. The simulations have captured the strong dynamic …
Bridging length and time scales in predictive simulations of thermo-mechanical processes
This work introduces a theoretical formulation and develops numerical methods for finite
element implementation of the formulation so as to extend the concurrent atomistic …
element implementation of the formulation so as to extend the concurrent atomistic …