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Search Publications by: Alex Smolyanitsky (Fed)

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Displaying 26 - 35 of 35

Mass diffusion of organic fluids: a molecular dynamics perspective

May 31, 2013
Author(s)
Alexander Y. Smolyanitsky, Andrei F. Kazakov, Thomas J. Bruno, Marcia L. Huber
A well-established interaction potential, the Optimized Potential for Liquid Simulation All-Atom (OPLS-AA) force-field, within the MD framework was used to determine self- and mutual diffusivity of several near-critical and supercritical fluids. The test

Toward a Probe-Based Method for Determining Exfoliation Energies of Lamellar Materials

October 4, 2012
Author(s)
Zhao Z. Deng, Alexander Smolyanitsky, Qunyang Li, Xi-Qiao Feng, Rachel J. Cannara
We discuss a potential new measurement application based on nanotribological measurements and simulations of the model lamellar material graphite. While frictional forces always oppose motion, we have observed that friction increases with decreasing load

Anomalous Friction in Suspended Graphene

September 20, 2012
Author(s)
Alexander Y. Smolyanitsky, Jason P. Killgore
Since the discovery of the Amonton's law and with support of modern tribological models, friction between surfaces of three-dimensional materials is known to generally increase when the surfaces are in closer contact. Here, using molecular dynamics

Effect of elastic deformation on frictional properties of few-layer graphene

January 9, 2012
Author(s)
Alexander Y. Smolyanitsky, Jason P. Killgore, Vinod K. Tewary
We describe the results of Brownian dynamics (BD) simulations of an AFM tip scanned on locally suspended few-layer graphene. The effects of surface compliance and sample relaxation are directly related to the observed friction force. We demonstrate that

Graphene-metal interconnect: an atomistic simulation

August 11, 2011
Author(s)
Alexander Y. Smolyanitsky, Vinod K. Tewary
We develop a set of computationally efficient and accurate interatomic interactions for an atomistic simulation of the properties of graphene on nickel surface. The approach is based on the modified embedded atom method (MEAM) for the C-C and Ni-Ni

Simulation of lattice strain due to CNT-metal interface

January 17, 2011
Author(s)
Alexander Y. Smolyanitsky, Vinod K. Tewary
We report an atomistic molecular statics study of strains in single wall carbon nanotubes (SWCNTs) interfaced with a planar nickel surface. We calculate axial and radial strain distributions along the SWCNT axis. We demonstrate strains of up to 2%