Computer Simulation of Liquid Pu and Calculation of Its Physical Properties at 500–5000 K
Source abstract
Abstract
Based on the literature data on the structure of liquid Pu, the pair contribution to the EAM potential of liquid Pu is calculated and the embedding potential is determined using the dependence of density on temperature. The properties of liquid Pu are calculated at temperatures up to 5000 K and at ambient pressure, as well as upon cooling to 500 K. Agreement with experiment is obtained for density, bulk modulus, and viscosity. Self-diffusion coefficients are calculated. The Stokes–Einstein relation is well satisfied at all temperatures above the melting point but, below it, the deviations are observed, increasing upon cooling. The heat capacity of the real liquid is significantly higher than that of the models. Excess surface energy is considered.
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Research context
OpenAlex topics: Rare-earth and actinide compounds · Nuclear Materials and Properties · Thermodynamic and Structural Properties of Metals and Alloys
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physical Chemistry, National University of Science and Technology Moscow Institute of Steel and Alloy, Moscow 119049, Russia
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