Solution of hydrogen in accident tolerant fuel candidate material: U3Si2
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In: Journal of Nuclear Materials, Vol. 501, 01.04.2018, p. 234-237.
Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Solution of hydrogen in accident tolerant fuel candidate material: U3Si2
AU - Middleburgh, S. C.
AU - Claisse, A.
AU - Andersson, D. A.
AU - Grimes, R. W.
AU - Olsson, P.
AU - Maskova, S.
PY - 2018/4/1
Y1 - 2018/4/1
N2 - Hydrogen uptake and accommodation into U3Si2, a candidate accident-tolerant fuel system, has been modelled on the atomic scale using the density functional theory. The solution energy of multiple H atoms is computed, reaching a stoichiometry of U3Si2H2 which has been experimentally observed in previous work (reported as U3Si2H1.8). The absorption of hydrogen is found to be favourable up to U3Si2H2 and the associated volume change is computed, closely matching experimental data. Entropic effects are considered to assess the dissociation temperature of H2, estimated to be at ∼800 K – again in good agreement with the experimentally observed transition temperature.
AB - Hydrogen uptake and accommodation into U3Si2, a candidate accident-tolerant fuel system, has been modelled on the atomic scale using the density functional theory. The solution energy of multiple H atoms is computed, reaching a stoichiometry of U3Si2H2 which has been experimentally observed in previous work (reported as U3Si2H1.8). The absorption of hydrogen is found to be favourable up to U3Si2H2 and the associated volume change is computed, closely matching experimental data. Entropic effects are considered to assess the dissociation temperature of H2, estimated to be at ∼800 K – again in good agreement with the experimentally observed transition temperature.
U2 - 10.1016/j.jnucmat.2018.01.018
DO - 10.1016/j.jnucmat.2018.01.018
M3 - Article
VL - 501
SP - 234
EP - 237
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
SN - 0022-3115
ER -