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Search Publications by: Vincent K. Shen (Fed)

Displaying 151 - 155 of 155

Direct Evaluation of Multi-Component Phase Equilibria Using Flat-Histogram Methods

October 1, 2005

Author(s)

Jeffrey R. Errington, Vincent K. Shen

We present a method for directly locating density-driven phase transitions in multi-component systems. Phase coexistence conditions are determined through manipulation of a total density probability distribution evaluated over a density range that includes

Determination of Fluid-Phase Behavior Using Transition-Matrix Monte Carlo: Binary Lennard-Jones Mixtures

February 1, 2005

Author(s)

Vincent K. Shen, Jeffrey R. Errington

We present a new computational methodology for determining fluid-phase equilibria in binary mixtures. The method is based on a combination of highly efficient transition-matrix Monte Carlo and histogram reweighting. In particular, a directed grand

Metastability and Instability in the Lennard-Jones Fluid Investigated by Transition-Matrix Monte Carlo

September 1, 2004

Author(s)

Vincent K. Shen, Jeffrey R. Errington

Grand canonical transition-matrix Monte Carlo is used to investigate kinetic and thermodynamic stability limits of the liquid and vapor in the Lennard-Jones fluid. Kinetic spinodal are associated with a vanishing of the free energy barrier between

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