Publications

Phase-field modeling of carbon fiber oxidation coupled with heat conduction

In this paper, we developed a multiphysics mesoscale model of carbon fiber oxidation in the upper most layer of a phenolic impregnated …
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Phase-field modeling of carbon fiber oxidation coupled with heat conduction

High-temperature oxidation of carbon fiber and char by molecular dynamics simulation

Reactive molecular dynamics (MD) simulations are performed to study the initial stage of the oxidation of carbon fiber and amorphous …
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High-temperature oxidation of carbon fiber and char by molecular dynamics simulation

Generation and characterization of an improved carbon fiber model by molecular dynamics

A high-fidelity model is necessary for understanding the properties of carbon fibers (CFs) and developing the next generation of CFs …
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Generation and characterization of an improved carbon fiber model by molecular dynamics

Nanoindentation of ZrH2 by molecular dynamics simulation

Classical molecular dynamics simulations of nanoindentation on the (100) and (110) planes using a spherical indenter are performed to …
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Nanoindentation of ZrH2 by molecular dynamics simulation

Charge Optimized Many Body (COMB) potentials for simulation of nuclear fuel and clad

We briefly outline the Charge Optimized Many Body (COMB) potential formalism, which enables the molecular dynamics simulation of …
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Charge Optimized Many Body (COMB) potentials for simulation of nuclear fuel and clad

First-principles study of W-TiC interface cohesion

First principles calculation reveals that the W–TiC interfaces with one overlayer possess high interface strength and are …
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First-principles study of W-TiC interface cohesion