Abstract: This paper presents a novel technique for the simulation of a nano/micro-material system known as stiffness-based coarse-grained molecular dynamics (SB-CG-MD), which aims to extend the arena of conventional all-atom molecular ...

Abstract: This paper presents a novel physical phenomenon—heat wave propagation—at the atomic scale by investigating the collision of

Abstract: Motivated by the need for a more efficient simulation of material behavior at both larger length scale and longer time scale than direct molecular dynamics simulation, an atomistic field theory ...

Abstract: The constitutive relations of the thermoviscoelasticity are rigorously formulated, and the corresponding finite-element equations are derived. Due to the second law of thermodynamics, a nonlinear term, which appears in ...

Abstract: This paper presents a multiscale field theory and its applications in modeling and simulation of atomistic systems. The theoretical construction of the multiscale field theory is briefly introduced. A single crystal is ...

Abstract: The three-dimensional transient thermal problem of work rolls in the entire rolling process has been formulated. It includes the time-varying boundary conditions specified at the roll surface ...