Origin of the multiple configurations that drive the response of δ-plutonium’s elastic moduli to temperature

Migliori, Albert; Söderlind, Per; Landa, Alexander; Freibert, Franz J.; Maiorov, Boris; Ramshaw, B. J.; Betts, Jon B.

doi:10.1073/pnas.1609215113

Title: Origin of the multiple configurations that drive the response of δ-plutonium’s elastic moduli to temperature

Journal Article · Mon Sep 19 00:00:00 EDT 2016 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1609215113· OSTI ID:1325832

Migliori, Albert ^[1]; Söderlind, Per ^[2]; Landa, Alexander ^[2]; Freibert, Franz J. ^[1]; Maiorov, Boris ^[1]; Ramshaw, B. J. ^[1]; Betts, Jon B. ^[1]

Los Alamos National Laboratory, Los Alamos, NM 87545,
Lawrence Livermore National Laboratory, Livermore, CA 94551

The electronic and thermodynamic complexity of plutonium has resisted a fundamental understanding for this important elemental metal. critical test of any theory is the unusual softening of the bulk modulus with increasing temperature, a result that is counterintuitive because no or very little change in the atomic volume is observed upon heating. This unexpected behavior has in the past been attributed to competing but never-observed electronic states with different bonding properties similar to the scenario with magnetic states in Invar alloys. When using the recent observation of plutonium dynamic magnetism, we construct a theory for plutonium that agrees with relevant measurements by using density-functional-theory (DFT) calculations with no free parameters to compute the effect of longitudinal spin fluctuations on the temperature dependence of the bulk moduli in δ-Pu. We also show that the softening with temperature can be understood in terms of a continuous distribution of thermally activated spin fluctuations.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0001089; AC52-07NA27344; AC52-06NA25396

OSTI ID:: 1325832

Alternate ID(s):: OSTI ID: 1336995; OSTI ID: 1343700

Report Number(s):: LLNL-JRNL-693599; LA-UR-16-23906

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Vol. 113 Journal Issue: 40; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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Title: Origin of the multiple configurations that drive the response of δ-plutonium’s elastic moduli to temperature

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