Factors controlling segregation tendency of solute Ti, Ag and Ta into different symmetrical tilt grain boundaries of tungsten: First-principles and experimental study

Grain-boundary segregation of 3d-transition metal solutes in bcc Fe: ab initio local-energy and d-electron behavior analysis

(2019) Zhuo Xu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Local electronic descriptors for solute-defect interactions in bcc refractory metals

(2019) Yong-Jie Hu et al.   Nature Communications

Solute segregation in Cu: DFT vs. Experiment

(2018) V.I. Razumovskiy et al.   ACTA MATERIALIA

In situ TEM observations on the structural evolution of a nanocrystalline W-Ti alloy at elevated temperatures

(2018) M. Callisti et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Recent trends and open questions in grain boundary segregation

(2018) Pavel Lejček et al.   JOURNAL OF MATERIALS RESEARCH

Lattice distortion induced site dependent carbon gettering at twin boundaries in silicon

(2017) Dongdong Zhao et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Solute stabilization of nanocrystalline tungsten against abnormal grain growth

(2017) Olivia K. Donaldson et al.   JOURNAL OF MATERIALS RESEARCH

First-principles determination of grain boundary strengthening in tungsten: Dependence on grain boundary structure and metallic radius of solute

(2016) Xuebang Wu et al.   ACTA MATERIALIA

First-principles study of carbon segregation in bcc iron symmetrical tilt grain boundaries

(2016) Jingliang Wang et al.   ACTA MATERIALIA

Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten

(2016) Daniel Scheiber et al.   INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS

The effect of tantalum (Ta) doping on mechanical properties of tungsten (W): A first-principles study

(2016) Diyou Jiang et al.   JOURNAL OF MATERIALS RESEARCH

Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals

(2014) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

(2013) Heather A. Murdoch et al.   JOURNAL OF MATERIALS RESEARCH

Recent progress in R&D on tungsten alloys for divertor structural and plasma facing materials

(2013) S. Wurster et al.   JOURNAL OF NUCLEAR MATERIALS

Interatomic potentials for modelling radiation defects and dislocations in tungsten

(2013) M-C Marinica et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initioidentified design principles of solid-solution strengthening in Al

(2013) Duancheng Ma et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Design of Stable Nanocrystalline Alloys

(2012) T. Chookajorn et al.   SCIENCE

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Review on the EFDA programme on tungsten materials technology and science

(2011) M. Rieth et al.   JOURNAL OF NUCLEAR MATERIALS

Stabilized nanocrystalline iron-based alloys: Guiding efforts in alloy selection

(2011) K.A. Darling et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Phase stability, point defects, and elastic properties of W-V and W-Ta alloys

(2011) M. Muzyk et al.   PHYSICAL REVIEW B

The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel

(2011) M. Všianská et al.   PROGRESS IN MATERIALS SCIENCE

First-principles study of carbon effects in a tungsten grain boundary: site preference, segregation and strengthening

(2011) HongBo Zhou et al.   Science China-Physics Mechanics & Astronomy

Energetics and structure of ⟨0 0 1⟩ tilt grain boundaries in SiC

(2010) Marcin Wojdyr et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

A grid-based Bader analysis algorithm without lattice bias

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

Grain boundary segregation and thermodynamically stable binary nanocrystalline alloys

(2009) Jason R. Trelewicz et al.   PHYSICAL REVIEW B