346 citations · 1.1k across the 41 of their papers we have counts for
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Parallelized Hybrid Monte Carlo Simulation of Stress-Induced Texture Evolution
Liangzhe Zhang, Timothy Bartel, Mark T. Lusk
A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a…
Toroidal Carbon Nanotubes with Encapsulated Atomic Metal Loops
Mark T. Lusk, Nathaniel Hamm
Toroidal carbon nanotubes can serve as hosts for encapsulated loops of atomic metal wires. Such composite structures have been analyzed using density functional theory for a semico…
Hybrid Monte Carlo Simulation of Stress-Induced Texture Evolution with Inelastic Effects
Liangzhe Zhang, Remi Dingreville, Timothy Bartel +1
A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach coup…
A Single Mobility Function for the Square-Lattice Ising Model and Its Application to Calibrated Monte Carlo Kinetics
Liangzhe Zhang, Timothy Bartel, Mark T. Lusk
Computational experiments are used to show that grain boundary mobility is independent of driving force in a two-dimensional, square-lattice Ising model with Metropolis kinetics. T…
Graphene Nanoengineering and the Inverse-Stone-Thrower-Wales Defect
Mark T. Lusk, David T. Wu, L. D. Carr
We analyze a new fundamental building block for monolithic nanoengineering on graphene: the Inverse-Stone-Thrower-Wales (ISTW) defect. The ISTW is formed from a pair of joined pent…
Nanoengineering Carbon Allotropes from Graphene
Mark T. Lusk, L. D. Carr
Monolithic structures can be built into graphene by the addition and subsequent re-arrangement of carbon atoms. To this end, ad-dimers of carbon are a particularly attractive build…