Neutron scattering and Monte Carlo determination of the variation of the critical nucleus size with quench depth
Article Abstract:
A study of the initial stages of first-order phase transition using a combination of neutron scattering experiments and Monte Carlo simulations is illustrated. The focus is on quenches wherein the nascent phase is formed by homogeneous nucleation, and the spinodal is approached, that is, the quench depth at which the original phase becomes unstable.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Dynamics of nucleation in the Ising model
Article Abstract:
Reactive pathways to nucleation in a three-dimensional Ising model at 60 percent of the critical temperature are studied using transition path sampling of single spin flip Monte Carlo dynamics. Analysis of the transition state ensemble (TSE) indicates that the critical nuclei are rough and anisotropic.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Grid-flux method for learning the solvent contribution to the mechanism of reactions
Article Abstract:
A trajectory-based method is presented to study qualitative role played by solvents in dynamic simulations. Comparison between this method and other data reduction techniques is discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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