Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

Ab initio thermodynamics investigation of titanium hydrides

(2015) P.A.T. Olsson et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermodynamics of technetium: reconciling theory and experiment using density functional perturbation analysis

(2015) Philippe F. Weck et al.   DALTON TRANSACTIONS

Magic numbers in small iron clusters: A first-principles study

(2014) Eunja Kim et al.   CHEMICAL PHYSICS LETTERS

Ab initio thermodynamics of zirconium hydrides and deuterides

(2014) P.A.T. Olsson et al.   COMPUTATIONAL MATERIALS SCIENCE

First principles study of the ZrX2 (X = H, D and T) compounds

(2014) D. Chattaraj et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Oxidation and hydrogen uptake in zirconium, Zircaloy-2 and Zircaloy-4: Computational thermodynamics and ab initio calculations

(2013) Michael V. Glazoff et al.   JOURNAL OF NUCLEAR MATERIALS

First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces

(2013) Eunja Kim et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Influence of monolayer contamination on electric-field-noise heating in ion traps

(2013) A. Safavi-Naini et al.   PHYSICAL REVIEW A

First-principles study of ground state properties of ZrH2

(2011) Peng Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

In situ study of hydride precipitation kinetics and re-orientation in Zircaloy using synchrotron radiation

(2010) K.B. Colas et al.   ACTA MATERIALIA

Hydride precipitation and stresses in zircaloy-4 observed by synchrotron X-ray diffraction

(2010) J.R. Santisteban et al.   ACTA MATERIALIA

Preferential precipitation of hydrides in textured zircaloy-4 sheets

(2010) N.A.P. Kiran Kumar et al.   JOURNAL OF NUCLEAR MATERIALS

First-Principles Study of Different Polymorphs of Crystalline Zirconium Hydride

(2010) Weihua Zhu et al.   Journal of Physical Chemistry C

Evidence of stress-induced hydrogen ordering in zirconium hydrides

(2008) A. Steuwer et al.   ACTA MATERIALIA

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS