First-principles study of helium, carbon, and nitrogen in austenite, dilute austenitic iron alloys, and nickel

Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels

(2012) C.S. Becquart et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles

(2012) T. P. C. Klaver et al.   PHYSICAL REVIEW B

Equation of state of paramagnetic CrN fromab initiomolecular dynamics

(2012) Peter Steneteg et al.   PHYSICAL REVIEW B

Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron

(2012) F. Körmann et al.   PHYSICAL REVIEW B

First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys

(2011) Afshin Abbasi et al.   ACTA MATERIALIA

Swelling of CLAM steel irradiated by electron/helium to 17.5dpa with 10appm He/dpa

(2011) Lei Peng et al.   FUSION ENGINEERING AND DESIGN

Stability and migration property of helium and self defects in vanadium and V–4Cr–4Ti alloy by first-principles

(2011) Pengbo Zhang et al.   JOURNAL OF NUCLEAR MATERIALS

Effects of tungsten on thermal desorption of helium from Fe–9Cr–2W ferritic alloy irradiated with low energy helium ions

(2011) K. Ono et al.   JOURNAL OF NUCLEAR MATERIALS

Thermal desorption of helium from defects in nickel

(2011) X.Z. Cao et al.   JOURNAL OF NUCLEAR MATERIALS

Ab initiobased determination of thermodynamic properties of cementite including vibronic, magnetic, and electronic excitations

(2011) A. Dick et al.   PHYSICAL REVIEW B

Electronic effect on hydrogen brittleness of austenitic steels

(2010) V. G. Gavriljuk et al.   JOURNAL OF APPLIED PHYSICS

Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

(2010) L. Malerba et al.   JOURNAL OF NUCLEAR MATERIALS

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model

(2010) C.S. Becquart et al.   JOURNAL OF NUCLEAR MATERIALS

Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys

(2010) J.D. Tucker et al.   JOURNAL OF NUCLEAR MATERIALS

Development of a pair potential for Fe–He by lattice inversion

(2010) P.H. Chen et al.   JOURNAL OF NUCLEAR MATERIALS

First principles calculations of vacancy–vacancy interactions in nickel: thermal expansion effects

(2010) E H Megchiche et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Magnetism in bcc and fcc Fe with carbon and manganese

(2010) N I Medvedeva et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN

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

Ab initiostudy of solute transition-metal interactions with point defects in bcc Fe

(2010) P. Olsson et al.   PHYSICAL REVIEW B

First-principles approach to the properties of point defects and small helium-vacancy clusters in palladium

(2009) Xianglin Zeng et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Properties of helium defects in bcc and fcc metals investigated with density functional theory

(2009) X. T. Zu et al.   PHYSICAL REVIEW B

Influence of carbon on the kinetics of He migration and clustering inα-Fefrom first principles

(2009) C. J. Ortiz et al.   PHYSICAL REVIEW B

Pair potential for Fe–He

(2008) N. Juslin et al.   JOURNAL OF NUCLEAR MATERIALS

Impurity effects on He diffusion in α-Fe

(2008) C.J. Ortiz et al.   JOURNAL OF NUCLEAR MATERIALS

An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

(2008) C.S. Becquart et al.   JOURNAL OF NUCLEAR MATERIALS

Ab initio study of formation, migration and binding properties of helium–vacancy clusters in aluminum

(2008) L. Yang et al.   PHYSICA B-CONDENSED MATTER

Metallic-covalent interatomic potential for carbon in iron

(2008) Derek J. Hepburn et al.   PHYSICAL REVIEW B