Copper nanocluster growth at experimental conditions using temperature accelerated dynamics

ORAL

Abstract

We study the dynamics of vapor phase cluster growth near experimental conditions of pressure at temperatures below $200$K. To this end, we carried out temperature accelerated dynamics (TAD) simulations at different vapor pressures to characterize the morphology of the resulting nanoparticles, which leads to a range of values of the flux of impinging atoms at fixed vapor temperature. At typical experimental pressures of $10^{-3}-10^{-4}\mbox{ bar}$ TAD provides substantial boost over regular Molecular Dynamics (MD). TAD is also advantageous over MD, regarding the sampling of the network of visited states, which provides a deeper understanding of the evolution of the system. We characterize the growth of such clusters at different vapor pressures.

Authors

  • C. S. Dias

    • GCEP-Centro de Fisica da Universidade do Minho, 4710-057 Braga, Portugal
  • A. C. Cadilhe

    • GCEP-Centro de Fisica da Universidade do Minho, Braga, Portugal. T-1 Group, MS B268, Los Alamos National Laboratory, Los Alamos, USA.
  • A. F. Voter

    • T-1 Group, MS B268, Los Alamos National Laboratory, Los Alamos, USA.