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Controlled Kinetic Monte Carlo Simulation of Nanomanufacturing Processes

[+] Author Affiliations
Yan Wang

Georgia Institute of Technology, Atlanta, GA

Paper No. DETC2011-48570, pp. 241-252; 12 pages
  • ASME 2011 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference
  • Volume 2: 31st Computers and Information in Engineering Conference, Parts A and B
  • Washington, DC, USA, August 28–31, 2011
  • Conference Sponsors: Design Engineering Division and Computers and Information in Engineering Division
  • ISBN: 978-0-7918-5479-2
  • Copyright © 2011 by ASME


Kinetic Monte Carlo (KMC) is regarded as an efficient tool for rare event simulation and has been used to simulate bottom-up self-assembly processes of nanomanufacturing. Yet, it cannot simulate top-down processes. In this paper, a new and generalized KMC mechanism, called controlled KMC or cKMC, is proposed to simulate complete physical and chemical processes. This generalization is enabled by the introduction of controlled events. In contrast to the traditional self-assembly events in KMC, controlled events occur at certain times, locations, or directions, which allows all events to be modeled. The applications of cKMC to several top-down and bottom-up processes are demonstrated.

Copyright © 2011 by ASME
Topics: Simulation



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