Effect of polarization forces on carbon deposition on a nonspherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a nonspherical nanoparticle. Monte Carlo simulations]
Abstract
Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The polarization increases the deposition rate of the atoms and molecules at the nanoparticle. The effect of the nonspherical shape of the nanoparticle is investigated by the Monte Carlo method. The shape of the nonspherical nanoparticle is approximated by an ellipsoid. The total deposition rate and its flux density distribution along the nanoparticle surface are calculated. As a result, it is shown that the flux density is not uniform along the surface. It is maximal at the nanoparticle tips.
 Authors:
 Keiser Univ., Fort Lauderdale, FL (United States)
 Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)
 Publication Date:
 Research Org.:
 Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)
 Sponsoring Org.:
 USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC24)
 OSTI Identifier:
 1419800
 Grant/Contract Number:
 AC0209CH11466
 Resource Type:
 Journal Article: Accepted Manuscript
 Journal Name:
 Physics of Plasmas
 Additional Journal Information:
 Journal Volume: 25; Journal Issue: 2; Journal ID: ISSN 1070664X
 Publisher:
 American Institute of Physics (AIP)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 70 PLASMA PHYSICS AND FUSION TECHNOLOGY
Citation Formats
Nemchinsky, V., and Khrabry, A. Effect of polarization forces on carbon deposition on a nonspherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a nonspherical nanoparticle. Monte Carlo simulations]. United States: N. p., 2018.
Web. doi:10.1063/1.5018200.
Nemchinsky, V., & Khrabry, A. Effect of polarization forces on carbon deposition on a nonspherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a nonspherical nanoparticle. Monte Carlo simulations]. United States. doi:10.1063/1.5018200.
Nemchinsky, V., and Khrabry, A. 2018.
"Effect of polarization forces on carbon deposition on a nonspherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a nonspherical nanoparticle. Monte Carlo simulations]". United States.
doi:10.1063/1.5018200.
@article{osti_1419800,
title = {Effect of polarization forces on carbon deposition on a nonspherical nanoparticle. Monte Carlo simulations [Effect of polarization forces on atom deposition on a nonspherical nanoparticle. Monte Carlo simulations]},
author = {Nemchinsky, V. and Khrabry, A.},
abstractNote = {Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The polarization increases the deposition rate of the atoms and molecules at the nanoparticle. The effect of the nonspherical shape of the nanoparticle is investigated by the Monte Carlo method. The shape of the nonspherical nanoparticle is approximated by an ellipsoid. The total deposition rate and its flux density distribution along the nanoparticle surface are calculated. As a result, it is shown that the flux density is not uniform along the surface. It is maximal at the nanoparticle tips.},
doi = {10.1063/1.5018200},
journal = {Physics of Plasmas},
number = 2,
volume = 25,
place = {United States},
year = 2018,
month = 2
}

MetalInsulator Transition in Nanoparticle Solids: Insights from Kinetic Monte Carlo Simulations
Progress has been rapid in increasing the efficiency of energy conversion in nanoparticles. However, extraction of the photogenerated charge carriers remains challenging. Encouragingly, the charge mobility has been improved recently by driving nanoparticle (NP) films across the metalinsulator transition (MIT). To simulate MIT in NP films, we developed a hierarchical Kinetic Monte Carlo transport model. Electrons transfer between neighboring NPs via activated hopping when the NP energies differ by more than an overlap energy, but transfer by a nonactivated quantum delocalization, if the NP energies are closer than the overlap energy. As the overlap energy increases, emerging percolating clusters supportmore » 
Ordering and phase separation in NiCrAl: Monte Carlo simulations vs threedimensional atom probe
Ordering and phase separation in NiCrAl alloys were studied using Monte Carlo (MC) simulation and threedimensional atom probe. Excellent agreement was found. Simulation showed that: (1) in the {gamma}{prime} phase, Cr substitutes for both Al and Ni sublattices; (2) in the {gamma} phase, a ``Ni{sub 3}Cr``type and an L1{sub 2}type short range order (SRO) develop, and transient Alrich L1{sub 2} ordered zones exist. In low supersaturated alloy a nucleation and growth mechanism was observed. Simulations indicated that phase transformation occurred in three stages: 1  SRO develops: a ``Ni{sub 3}Cr``type and an L1{sub 2}type; 2  formation of Al enrichedmore » 
Billionatom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising systems
An extension of the synchronous parallel kinetic Monte Carlo (spkMC) algorithm developed by Martinez et al. [J. Comp. Phys. 227 (2008) 3804] to discrete lattices is presented. The method solves the master equation synchronously by recourse to null events that keep all processors' time clocks current in a global sense. Boundary conflicts are resolved by adopting a chessboard decomposition into noninteracting sublattices. We find that the bias introduced by the spatial correlations attendant to the sublattice decomposition is within the standard deviation of serial calculations, which confirms the statistical validity of our algorithm. We have analyzed the parallel efficiency ofmore »