89 citations · 89 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2014★ 89 cited
The thermodynamics of hydride precipitation: the importance of entropy, enthalpy and disorder
S. C. Lumley, R. W. Grimes, S. T. Murphy +4
The thermodynamics of H/α-Zr solid solution and zirconium hydride phases were studied using density functional theory. Disorder in ζ, γ and δ hydrides and solid solutions were mode…
cond-mat.mtrl-sci2013
Hydrogen solubility in zirconium intermetallic second phase particles
P. A. Burr, S. T. Murphy, S. C. Lumley +2
The enthalpies of solution of H in Zr binary intermetallic compounds formed with Cu, Cr, Fe, Mo, Ni, Nb, Sn and V were calculated by means of density functional theory simulations…
cond-mat.mtrl-sci2013
Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4
P. A. Burr, S. T. Murphy, S. C. Lumley +2
Ab-initio computer simulations have been used to predict the energies associated with the accommodation of H atoms at interstitial sites in α, β-Zr and Zr.M intermetallics formed w…