Correlation and relativistic effects in U metal and U-Zr alloy: Validation ofab initioapproaches

Thermodynamic modeling of the U–Zr system – A revisit

(2013) Wei Xiong et al.   JOURNAL OF NUCLEAR MATERIALS

First principles calculations of the structure and elastic constants of α, β and γ uranium

(2012) Benjamin Beeler et al.   JOURNAL OF NUCLEAR MATERIALS

First-principles study of bubble nucleation and growth behaviors in α U–Zr

(2012) Gui-Yang Huang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

High-temperature phonon stabilization ofγ-uranium from relativistic first-principles theory

(2012) Per Söderlind et al.   PHYSICAL REVIEW B

Lattice instabilities in metallic elements

(2012) Göran Grimvall et al.   REVIEWS OF MODERN PHYSICS

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

Structure, formation energies and elastic constants of uranium metal investigated by first principles calculations

(2011) J.H. Li et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The U–Ti system: Strengths and weaknesses of the CALPHAD method

(2011) Saurabh Bajaj et al.   JOURNAL OF NUCLEAR MATERIALS

Calphad thermodynamic description of some binary systems involving U

(2011) A. Berche et al.   JOURNAL OF NUCLEAR MATERIALS

First-principles calculations of the stability and incorporation of helium, xenon and krypton in uranium

(2011) B. Beeler et al.   JOURNAL OF NUCLEAR MATERIALS

First-principles study of diffusion of interstitial and vacancy in α U–Zr

(2011) Gui-Yang Huang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Disordered bcc γ-phase to δ-phase transformation in Zr-rich U-Zr alloy

(2011) C.B. Basak et al.   PHILOSOPHICAL MAGAZINE

Uranium at high pressure from first principles

(2011) S. Adak et al.   PHYSICA B-CONDENSED MATTER

First principles calculations for defects in U

(2010) B Beeler et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Method for locating low-energy solutions withinDFT+U

(2010) B. Meredig et al.   PHYSICAL REVIEW B

First-principles study of defects and phase transition in UO2

(2009) Jianguo Yu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

DFT+Ucalculations of the ground state and metastable states of uranium dioxide

(2009) Boris Dorado et al.   PHYSICAL REVIEW B

Anisotropy and magnetism in theLSDA+Umethod

(2009) Erik R. Ylvisaker et al.   PHYSICAL REVIEW B

Nature of the5fstates in actinide metals

(2009) Kevin T. Moore et al.   REVIEWS OF MODERN PHYSICS

Density-functional study of the U–Zr system

(2008) Alex Landa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Evaluation of first-principles techniques for obtaining materials parameters ofα-uranium and the (001)α-uranium surface

(2008) Christopher D. Taylor   PHYSICAL REVIEW B

Many-body electronic structure of metallicα-uranium

(2008) Athanasios N. Chantis et al.   PHYSICAL REVIEW B

Quantum mechanical calculations of uranium phases and niobium defects in γ-uranium

(2007) Shikai Xiang et al.   JOURNAL OF NUCLEAR MATERIALS