72 citations · 277 across the 12 of their papers we have counts for
3 papers · 1 filter
Probing the Statistical Validity of the Ductile-to-Brittle Transition in Metallic Nanowires Using GPU Computing
William R. French, Amulya K. Pervaje, Andrew P. Santos +2
We perform a large-scale statistical analysis (> 2000 independent simulations) of the elongation and rupture of gold nanowires, probing the validity and scope of the recently propo…
Structural Origins of Conductance Fluctuations in Gold-Thiolate Molecular Transport Junctions
William R. French, Christopher R. Iacovella, Ivan Rungger +3
We report detailed atomistic simulations combined with high-fidelity conductance calculations to probe the structural origins of conductance fluctuations in thermally evolving Au-b…
Large-Scale Atomistic Simulations of Environmental Effects on the Formation and Properties of Molecular Junctions
William R. French, Christopher R. Iacovella, Peter T. Cummings
Using an updated simulation tool, we examine molecular junctions comprised of benzene-1,4-dithiolate bonded between gold nanotips, focusing on the importance of environmental facto…