Insight into point defects and impurities in titanium from first principles

From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium–transition metal alloys

(2016) Liang-Feng Huang et al.   ACTA MATERIALIA

Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange–correlation functionals

(2015) Bharat Medasani et al.   COMPUTATIONAL MATERIALS SCIENCE

Dislocation locking versus easy glide in titanium and zirconium

(2015) Emmanuel Clouet et al.   NATURE MATERIALS

Origin of dramatic oxygen solute strengthening effect in titanium

(2015) Q. Yu et al.   SCIENCE

Thermodynamic properties of titanium fromab initiocalculations

(2015) Uri Argaman et al.   Materials Research Express

Solute effect on oxygen diffusion in α-titanium

(2013) Henry H. Wu et al.   JOURNAL OF APPLIED PHYSICS

Microstructures and Properties of 17-4 PH Stainless Steel Fabricated by Selective Laser Melting

(2013) Lawrence E. Murr et al.   Journal of Materials Research and Technology-JMR&T

Hume-Rothery rules for structurally complex alloy phases

(2012) Uichiro Mizutani   MRS BULLETIN

Generalized-stacking-fault energy and surface properties for HCP metals: A first-principles study

(2009) Xiaozhi Wu et al.   APPLIED SURFACE SCIENCE

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initio study of Kr in hcp Ti: Diffusion, formation and stability of small Kr–vacancy clusters

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