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Thermodynamics and phase stability of Li<sub>8</sub>XO<sub>6</sub> octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)

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Thermodynamics and phase stability of Li<sub>8</sub>XO<sub>6</sub> octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn). / Davies, Andrew William; Murphy, Samuel T.
In: Journal of Physics: Condensed Matter, Vol. 34, No. 35, 355701, 31.08.2022.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

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Davies AW, Murphy ST. Thermodynamics and phase stability of Li<sub>8</sub>XO<sub>6</sub> octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn). Journal of Physics: Condensed Matter. 2022 Aug 31;34(35):355701. Epub 2022 Jun 6. doi: 10.1088/1361-648x/ac762a

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@article{32e3a7c358c644089792f159bde7799b,
title = "Thermodynamics and phase stability of Li8XO6 octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)",
abstract = "Octalithium ceramics with their high stoichiometric concentration of lithium offer exceptionally high tritium breeding ratios (TBRs) in comparison with other candidate breeder materials for tokamak fusion reactors, this is especially true with incorporation of a neutron multiplier into the crystal structures. Although, there are concerns surrounding the stability of these materials at operational temperatures. Therefore in this paper, we explore the thermodynamic properties of a selection of candidate octalithium ceramics in low and high temperature regimes (0-1200 K) using density functional perturbation theory (DFPT). Enthalpies as well as Gibbs formation energies were used to distinguish candidates which may or may not be susceptible to degradation.",
keywords = "Condensed Matter Physics, General Materials Science",
author = "Davies, {Andrew William} and Murphy, {Samuel T}",
year = "2022",
month = aug,
day = "31",
doi = "10.1088/1361-648x/ac762a",
language = "English",
volume = "34",
journal = "Journal of Physics: Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing Ltd",
number = "35",

}

RIS

TY - JOUR

T1 - Thermodynamics and phase stability of Li8XO6 octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)

AU - Davies, Andrew William

AU - Murphy, Samuel T

PY - 2022/8/31

Y1 - 2022/8/31

N2 - Octalithium ceramics with their high stoichiometric concentration of lithium offer exceptionally high tritium breeding ratios (TBRs) in comparison with other candidate breeder materials for tokamak fusion reactors, this is especially true with incorporation of a neutron multiplier into the crystal structures. Although, there are concerns surrounding the stability of these materials at operational temperatures. Therefore in this paper, we explore the thermodynamic properties of a selection of candidate octalithium ceramics in low and high temperature regimes (0-1200 K) using density functional perturbation theory (DFPT). Enthalpies as well as Gibbs formation energies were used to distinguish candidates which may or may not be susceptible to degradation.

AB - Octalithium ceramics with their high stoichiometric concentration of lithium offer exceptionally high tritium breeding ratios (TBRs) in comparison with other candidate breeder materials for tokamak fusion reactors, this is especially true with incorporation of a neutron multiplier into the crystal structures. Although, there are concerns surrounding the stability of these materials at operational temperatures. Therefore in this paper, we explore the thermodynamic properties of a selection of candidate octalithium ceramics in low and high temperature regimes (0-1200 K) using density functional perturbation theory (DFPT). Enthalpies as well as Gibbs formation energies were used to distinguish candidates which may or may not be susceptible to degradation.

KW - Condensed Matter Physics

KW - General Materials Science

U2 - 10.1088/1361-648x/ac762a

DO - 10.1088/1361-648x/ac762a

M3 - Journal article

VL - 34

JO - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

SN - 0953-8984

IS - 35

M1 - 355701

ER -