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20122024
most citedTowards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals

115 citations · 190 across the 11 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

7 papers · 1 filter

cond-mat.mtrl-sci2025

An attention-based neural ordinary differential equation framework for modeling inelastic processes

Reese E. Jones, Jan N. Fuhg

To preserve strictly conservative behavior as well as model the variety of dissipative behavior displayed by solid materials, we propose a significant enhancement to the internal s…

cond-mat.mtrl-sci2024

Equivariant graph convolutional neural networks for the representation of homogenized anisotropic microstructural mechanical response

Ravi Patel, Cosmin Safta, Reese E. Jones

Composite materials with different microstructural material symmetries are common in engineering applications where grain structure, alloying and particle/fiber packing are optimiz…

cond-mat.mtrl-sci2016

Comparison of dislocation density tensor fields derived from discrete dislocation dynamics and crystal plasticity simulations of torsion

Reese Jones, Jonathan Zimmerman, Giacomo Po

The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the…

cond-mat.mtrl-sci201227 cited

Effects of Cutoff Functions of Tersoff Potentials on Molecular Dynamics Simulations of Thermal Transport

X. W. Zhou, R. E. Jones

Past molecular dynamics studies of thermal transport have predominantly used Stillinger-Weber potentials. As materials continuously shrink, their properties increasingly depend on…

cond-mat.mtrl-sci2012115 cited

Towards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals

X. W. Zhou, S. Aubry, R. E. Jones +2

Significant differences exist among literature for thermal conductivity of various systems computed using molecular dynamics simulation. In some cases, unphysical results, for exam…

cond-mat.mtrl-sci201216 cited

An analytical law for size effects on thermal conductivity of nanostructures

X. W. Zhou, R. E. Reese

The thermal conductivity of a nanostructure is sensitive to its dimensions. A simple analytical scaling law that predicts how conductivity changes with the dimensions of the struct…