Imperial College London
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ProfessorRobinGrimes

Faculty of Engineering, Department of Materials

BCH Steele Chair in Energy Materials
 
 
 
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Contact

 

+44 (0)20 7594 6730r.grimes

 
 
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Location

 

B303cBessemer BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Middleburgh:2018:10.1016/j.jnucmat.2018.01.018,
author = {Middleburgh, SC and Claisse, A and Andersson, DA and Grimes, RW and Olsson, P and Maková, S},
doi = {10.1016/j.jnucmat.2018.01.018},
journal = {Journal of Nuclear Materials},
pages = {234--237},
title = {Solution of hydrogen in accident tolerant fuel candidate material: USi},
url = {http://dx.doi.org/10.1016/j.jnucmat.2018.01.018},
volume = {501},
year = {2018}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Hydrogen uptake and accommodation into U 3 Si 2 , 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 U 3 Si 2 H 2 which has been experimentally observed in previous work (reported as U 3 Si 2 H 1.8 ). The absorption of hydrogen is found to be favourable up to U 3 Si 2 H 2 and the associated volume change is computed, closely matching experimental data. Entropic effects are considered to assess the dissociation temperature of H 2 , estimated to be at ∼800 K – again in good agreement with the experimentally observed transition temperature.
AU  - Middleburgh,SC
AU  - Claisse,A
AU  - Andersson,DA
AU  - Grimes,RW
AU  - Olsson,P
AU  - Maková,S
DO  - 10.1016/j.jnucmat.2018.01.018
EP  - 237
PY  - 2018///
SN  - 0022-3115
SP  - 234
TI  - Solution of hydrogen in accident tolerant fuel candidate material: USi
T2  - Journal of Nuclear Materials
UR  - http://dx.doi.org/10.1016/j.jnucmat.2018.01.018
UR  - http://hdl.handle.net/10044/1/57436
VL  - 501
ER  -
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