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000835921 245__ $$aHeat capacities of xenotime-type ceramics: An accurate ab initio prediction
000835921 260__ $$aAmsterdam [u.a.]$$bElsevier Science$$c2017
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000835921 520__ $$aBecause of ability to incorporate actinides into their structure, the lanthanide phosphate ceramics (LnPO4LnPO4) are considered as potential matrices for the disposal of nuclear waste. Here we present highly reliable ab initio prediction of the variation of heat capacities and the standard entropies of these compounds in zircon structure along lanthanide series (Ln = Dy, …,Lu) and validate them against the existing experimental data. These data are helpful for assessment of thermodynamic parameters of these materials in the context of using them as matrices for immobilization of radionuclides for the purpose of nuclear waste management.
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000835921 536__ $$0G:(DE-Juel1)jiek61_20131101$$aInvestigation of the new materials for safe management of high level nuclear waste. (jiek61_20131101)$$cjiek61_20131101$$fInvestigation of the new materials for safe management of high level nuclear waste.$$x1
000835921 536__ $$0G:(DE-Juel1)jara0038_20121101$$aInvestigation of the new materials for safe management of high level nuclear waste. (jara0038_20121101)$$cjara0038_20121101$$fInvestigation of the new materials for safe management of high level nuclear waste.$$x2
000835921 536__ $$0G:(DE-Juel1)jara0039_20121101$$aTowards controlled QCD transport coefficients (jara0039_20121101)$$cjara0039_20121101$$fTowards controlled QCD transport coefficients$$x3
000835921 536__ $$0G:(DE-Juel1)HITEC-20170406$$aHITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406)$$cHITEC-20170406$$x4
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000835921 7001_ $$0P:(DE-Juel1)156345$$aBeridze, George$$b1$$ufzj
000835921 7001_ $$0P:(DE-Juel1)130324$$aBosbach, Dirk$$b2$$ufzj
000835921 7001_ $$0P:(DE-Juel1)137024$$aKowalski, Piotr M.$$b3$$eCorresponding author
000835921 773__ $$0PERI:(DE-600)2001279-2$$a10.1016/j.jnucmat.2017.07.026$$gVol. 494, p. 172 - 181$$p172 - 181$$tJournal of nuclear materials$$v494$$x0022-3115$$y2017
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