630 citations · 3.3k across the 41 of their papers we have counts for
Showing 2011 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2011★ 16 cited
The Role of Polytetrahedral Structures in the Elongation and Rupture of Gold Nanowires
Christopher R. Iacovella, William R. French, Brandon G. Cook +2
We report comprehensive high-accuracy molecular dynamics simulations using the ReaxFF forcefield to explore the structural changes that occur as Au nanowires are elongated, establi…
cond-mat.mtrl-sci2011★ 3 cited
Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo Benchmarks
Michal Bajdich, Paul R. C. Kent, Jeongnim Kim +1
We study the electronic structure of a spherical jellium in the presence of a central Gaussian impurity. We test how well the resulting inhomogeneity effects beyond spherical jelli…