Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

(2016) Yongfeng Zhang et al.   ACTA MATERIALIA

DFT calculations of hydrogen diffusion and phase transformations in magnesium

(2015) Konstantin Klyukin et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A review on hydride precipitation in zirconium alloys

(2015) Jacob Bair et al.   JOURNAL OF NUCLEAR MATERIALS

The thermodynamics of hydride precipitation: The importance of entropy, enthalpy and disorder

(2014) S.C. Lumley et al.   ACTA MATERIALIA

H inα-Zr and in zirconium hydrides: solubility, effect on dimensional changes, and the role of defects

(2014) M Christensen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of temperature-dependent diffusion coefficients: Hydrogen, deuterium, and tritium in α-Ti

(2013) Yong Lu et al.   JOURNAL OF APPLIED PHYSICS

Determination of fracture strength of δ-zirconium hydrides embedded in zirconium matrix at high temperatures

(2013) T. Kubo et al.   JOURNAL OF NUCLEAR MATERIALS

Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4

(2012) P.A. Burr et al.   CORROSION SCIENCE

Hydride Formation in Zirconium Alloys

(2012) Arthur T. Motta et al.   JOM

Influence of hydrogen loading conditions on the blocking effect of nanocrystalline Mg films

(2011) Helmut Takahiro Uchida et al.   SCRIPTA MATERIALIA

Ab initio study on plane defects in zirconium–hydrogen solid solution and zirconium hydride

(2010) Yutaka Udagawa et al.   ACTA MATERIALIA

An energy basin finding algorithm for kinetic Monte Carlo acceleration

(2010) Brian Puchala et al.   JOURNAL OF CHEMICAL PHYSICS

Adaptive kinetic Monte Carlo for first-principles accelerated dynamics

(2008) Lijun Xu et al.   JOURNAL OF CHEMICAL PHYSICS