Liquid Plutonium — A Review of its Physical Properties

Wittenberg, L.J.; Ofte, D.; Rohr, W.G.

doi:10.13182/nt67-a27937

Cited by 10 publications

(5 citation statements)

References 11 publications

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“…2, we compare the experimentally-measured [4,6] K. The empirical MEAM potential enables simulations of a larger number of atoms in a cell than QMD, and MEAM calculations were performed with both equilibrium molecular dynamics (EMD) and nonequilibrium, shear-driven molecular dynamics (NEMD). The two approaches agreed in the limits in which the NEMD was extrapolated to zero shear rate and the EMD was extended to long times.…”

Section: Resultsmentioning

confidence: 99%

“…We have calculated the self-diffusion coefficients and viscosities of plutonium from liquid to dense plasmas states by employing two quantum mechanical molecular dynamics approaches: (1) For the liquid state, we found the QMD viscosity was lower by about 40% than experiment [4] and lower by by a factor of 4 to 7 than molecular dynamics simulations using a modified embedded atom method (MEAM) [8]. Both the viscosity and diffusion coefficients exhibit The error bars are statistical only.…”

Section: Discussionmentioning

confidence: 99%

mentioning

confidence: 99%

“…Measurements [4] of the shear viscosity exist up to 1500 K as well as of various optical properties [5]. In addition, the viscosities of some liquid Pu alloys, including U-Pu, have been determined [4,6,7]. A few theoretical studies exist; for example, simulations with the modified embedded-atom method (MEAM), which utilizes an angle-dependent empirical interatomic potential, appear for liquid plutonium [8] as well as nickel [9], but only near melt.…”

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confidence: 99%

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Quantum molecular dynamics simulations of transport properties in liquid and dense-plasma plutonium

et al. 2011

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We have calculated the viscosity and self-diffusion coefficients of plutonium in the liquid phase using quantum molecular dynamics (QMD) and in the dense-plasma phase using orbital-free molecular dynamics (OFMD), as well as in the intermediate warm dense matter regime with both methods. Our liquid metal results for viscosity are about 40% lower than measured experimentally, whereas a previous calculation using an empirical interatomic potential (modified embedded atom [LANL publication number: LA-UR-10-07728]

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Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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confidence: 99%

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confidence: 99%

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Quantum molecular dynamics simulations of transport properties in liquid and dense-plasma plutonium

et al. 2011

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“…1 the viscosity of several liquid metals at the melting point is shown; clearly, the YVM captures the general trend over the range from Al to Pu. Interestingly, the YVM value for the Pu viscosity is closer to the data [4] than modified embedded atom method (MEAM) MD results [5]. Overall, the YVM predicts viscosities that are too low, but qualitative trends are captured.…”

Section: Liquid Metals Near Meltmentioning

confidence: 56%