Recent trends and open questions in grain boundary segregation

The thermodynamic stability induced by solute co-segregation in nanocrystalline ternary alloys

(2017) Tao Liang et al.   International Journal of Materials Research

Segregation effects of Y, Ti, Cr and Si on the intergranular fracture of niobium

(2017) Songxin Shi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Origin of the influence of Cu or Ag micro-additions on the age hardening behavior of ultrafine-grained Al-Mg-Si alloys

(2017) Xavier Sauvage et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Grain boundary segregation of elements of groups 14 and 15 and its consequences for intergranular cohesion of ferritic iron

(2017) Pavel Lejček et al.   JOURNAL OF MATERIALS SCIENCE

Hydrogen trapping at divacancies and impurity-vacancy complexes in nickel: First principles study

(2017) Arsen V. Subashiev et al.   JOURNAL OF NUCLEAR MATERIALS

Strong trapping and slow diffusion of helium in a tungsten grain boundary

(2017) Xin-Xin Wang et al.   JOURNAL OF NUCLEAR MATERIALS

Stability of nanocrystalline Ni-based alloys: coupling Monte Carlo and molecular dynamics simulations

(2017) O Waseda et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Segregation of sp-impurities at grain boundaries and surfaces: comparison of fcc cobalt and nickel

(2017) M Všianská et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Improved prediction of heat of mixing and segregation in metallic alloys using tunable mixing rule for embedded atom method

(2017) Srikanth Divi et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

The helium effect at grain boundaries in Fe-Cr alloys: A first-principles study

(2017) M.R. Zemła et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

First-principles investigation of the energetics of point defects at a grain boundary in tungsten

(2017) Jun Chai et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Deformation of nanocrystalline binary aluminum alloys with segregation of Mg, Co and Ti at grain boundaries

(2017) A. V. Zinovev et al.   PHYSICS OF METALS AND METALLOGRAPHY

Influence of grain boundaries on the distribution of components in binary alloys

(2017) P. E. L’vov et al.   PHYSICS OF THE SOLID STATE

Interfacial segregation and grain boundary embrittlement: An overview and critical assessment of experimental data and calculated results

(2017) Pavel Lejček et al.   PROGRESS IN MATERIALS SCIENCE

Probing dopant segregation in distinct cation sites at perovskite oxide polycrystal interfaces

(2017) Hye-In Yoon et al.   Nature Communications

Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations

(2017) Anders Lindman et al.   Journal of Materials Chemistry A

First-principles calculations of hydrogen interactions with nickel containing a monovacancy and divacancies

(2017) Nishith K Das et al.   Materials Research Express

The role of atomic scale segregation in designing highly ductile magnesium alloys

(2016) I. Basu et al.   ACTA MATERIALIA

Effect of cation dopant radius on the hydrothermal stability of tetragonal zirconia: Grain boundary segregation and oxygen vacancy annihilation

(2016) Fei Zhang et al.   ACTA MATERIALIA

Grain boundary segregation and secondary-phase transition of (La,Nb)-codoped TiO 2 ceramic

(2016) Ji-Kang Yan et al.   CERAMICS INTERNATIONAL

Solute–grain boundary interaction and segregation formation in Al: First principles calculations and molecular dynamics modeling

(2016) L.E. Karkina et al.   COMPUTATIONAL MATERIALS SCIENCE

Effect of grain boundary segregation on the deformation mechanisms and mechanical properties of nanocrystalline binary aluminum alloys

(2016) Rita I. Babicheva et al.   COMPUTATIONAL MATERIALS SCIENCE

A Short Review of High-Temperature Wetting and Complexion Transitions with a Critical Assessment of Their Influence on Liquid Metal Embrittlement and Corrosion

(2016) Jian Luo   CORROSION

Grain boundary complexion and transparent polycrystalline alumina from an atomistic simulation perspective

(2016) Abhishek Tewari et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

The importance of grain boundary complexions in affecting physical properties of polycrystals

(2016) Shen J. Dillon et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

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

Grain boundary segregation and thermoelectric performance enhancement of bismuth doped calcium cobaltite

(2016) Cullen Boyle et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Effect of oxygen and nitrogen on microstructure and mechanical properties of vanadium

(2016) Min-Gu Jo et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Ab initiosearch for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten

(2016) D Scheiber et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

A survey of ab-initio calculations shows that segregation-induced grain boundary embrittlement is predicted by bond-breaking arguments

(2016) Michael A. Gibson et al.   SCRIPTA MATERIALIA

Stabilization of nanocrystalline alloys at high temperatures via utilizing high-entropy grain boundary complexions

(2016) Naixie Zhou et al.   SCRIPTA MATERIALIA

EFFECT OF SMALL BULK SULFUR CONTENT AND ANNEALING TEMPERATURE ON THE INTERGRANULAR FRACTURING SUSCEPTIBILITY OF METALLIC NICKEL

(2016) BOUTASSOUNA DJAMAL et al.   SURFACE REVIEW AND LETTERS

Atomically ordered solute segregation behaviour in an oxide grain boundary

(2016) Bin Feng et al.   Nature Communications

Ferromagnetic behaviour of ZnO: the role of grain boundaries

(2016) Boris Borisovich Straumal et al.   Beilstein Journal of Nanotechnology

A Short Review of High-Temperature Wetting and Complexion Transitions with a Critical Assessment of Their Influence on Liquid Metal Embrittlement and Corrosion

(2016) Jian Luo   CORROSION

Grain boundary segregation and the formation mechanism of secondary-phase in (Ce,Nb)-codoped TiO 2 ceramics

(2016) Ji-Kang Yan et al.   MATERIALS & DESIGN

Energetics of vacancy segregation to [100] symmetric tilt grain boundaries in bcc tungsten

(2016) Nanjun Chen et al.   Scientific Reports

Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation

(2015) Fei Zhang et al.   Acta Biomaterialia

First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

(2015) V.I. Razumovskiy et al.   ACTA MATERIALIA

Stabilization of nanocrystalline alloys via grain boundary segregation: A diffuse interface model

(2015) Fadi Abdeljawad et al.   ACTA MATERIALIA

Segregation-induced changes in grain boundary cohesion and embrittlement in binary alloys

(2015) Michael A. Gibson et al.   ACTA MATERIALIA

Ab initio description of segregation and cohesion of grain boundaries in W–25 at.% Re alloys

(2015) Daniel Scheiber et al.   ACTA MATERIALIA

Grain boundary segregation engineering and austenite reversion turn embrittlement into toughness: Example of a 9 wt.% medium Mn steel

(2015) Margarita Kuzmina et al.   ACTA MATERIALIA

Identical mechanism of isochronal and isothermal embrittlement in Ni(Bi) alloy: Thermo-induced non-equilibrium grain-boundary segregation of Bi

(2015) Lei Zheng et al.   APPLIED SURFACE SCIENCE

Dissolution and diffusion of hydrogen in a molybdenum grain boundary: A first-principles investigation

(2015) Lu Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

Effects of Fe-dopings through solid solution and grain-boundary segregation on the electrical properties of CeO2-based solid electrolyte

(2015) B. Meng et al.   IONICS

Nonequilibrium grain-boundary segregation mechanism of hot ductility loss for austenitic and ferritic stainless steels

(2015) Zhenjun Liu et al.   JOURNAL OF MATERIALS RESEARCH

Atomistic modelling of zirconium and silicon segregation at twist and tilt grain boundaries in molybdenum

(2015) Olena Lenchuk et al.   JOURNAL OF MATERIALS SCIENCE

Modelling equilibrium grain boundary segregation, grain boundary energy and grain boundary segregation transition by the extended Butler equation

(2015) G. Kaptay   JOURNAL OF MATERIALS SCIENCE

First-principles study of Si and Mg segregation in grain boundaries in Al and Cu: application of local-energy decomposition

(2015) Hao Wang et al.   JOURNAL OF MATERIALS SCIENCE

Simulation of He embrittlement at grain boundaries in bcc transition metals

(2015) Tomoaki Suzudo et al.   JOURNAL OF NUCLEAR MATERIALS

Multiscale simulation of xenon diffusion and grain boundary segregation in UO 2

(2015) David A. Andersson et al.   JOURNAL OF NUCLEAR MATERIALS

Non-equilibrium phosphorus grain boundary segregation and its effect on embrittlement in a niobium-stabilized interstitial-free steel

(2015) S.-H. Song et al.   MATERIALS LETTERS

Origin of magnetocapacitance in chemically homogeneous and inhomogeneous ferrites

(2015) R. A. Mondal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Grain boundary segregation in multicrystalline silicon: correlative characterization by EBSD, EBIC, and atom probe tomography

(2015) Andreas Stoffers et al.   PROGRESS IN PHOTOVOLTAICS

Segregation of boron at prior austenite grain boundaries in a quenched martensitic steel studied by atom probe tomography

(2015) Y.J. Li et al.   SCRIPTA MATERIALIA

On modeling of grain boundary segregation in aliovalent cation doped ZrO2: Critical factors in site-selective point defect occupancy

(2015) T. Yokoi et al.   SCRIPTA MATERIALIA

Calculation of proton conductivity at the Σ3111/11¯0 tilt grain boundary of barium zirconate using density functional theory

(2015) Jin-Hoon Yang et al.   SOLID STATE IONICS

Thermodynamic Grain Size Stabilization Models: An Overview

(2015) Mostafa Saber et al.   Materials Research Letters

Preparation and characterization of the microstructure, dielectric and magnetoelectric properties of multiferroic Sr3CuNb2O9–CoFe2O4 ceramics

(2015) Piotr Zachariasz et al.   MATERIALS & DESIGN

Nanoscale segregation behavior and high-temperature stability of nanocrystalline W–20at.% Ti

(2014) Tongjai Chookajorn et al.   ACTA MATERIALIA

Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects

(2014) Zhi-Wu Li et al.   Chinese Physics B

Maxwell–Wagner polarization in grain boundary segregated NiCuZn ferrite

(2014) R.A. Mondal et al.   CURRENT APPLIED PHYSICS

Grain boundary segregation engineering in metallic alloys: A pathway to the design of interfaces

(2014) D. Raabe et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Applied Thermodynamics: Grain Boundary Segregation

(2014) Pavel Lejček et al.   Entropy

A thermokinetic description of nano-scale grain growth under dynamic grain boundary segregation condition

(2014) Z. Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Temperature and frequency dependent electrical properties of NiCuZn ferrite with CuO-rich grain boundary segregation

(2014) R.A. Mondal et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Study of the interaction of solutes with Σ5 (013) tilt grain boundaries in iron using density-functional theory

(2014) Hao Jin et al.   JOURNAL OF APPLIED PHYSICS

In situ observations of crack propagation and role of grain boundary microstructure in nickel embrittled by sulfur

(2014) Shigeaki Kobayashi et al.   JOURNAL OF MATERIALS SCIENCE

Nonrandom Point Defect Configurations and Driving Force Transitions for Grain Boundary Segregation in Trivalent Cation Doped ZrO2

(2014) T. Yokoi et al.   LANGMUIR

First principles investigation into effects of Cr on segregation of S or Cl at α-Fe Σ5(210) grain boundary

(2014) C-X. Li et al.   MATERIALS RESEARCH INNOVATIONS

Hydrogen embrittlement of a carbon segregated Σ5(310)[001] symmetrical tilt grain boundary in α-Fe

(2014) A.M. Tahir et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Atomistic modelling of hydrogen segregation to the Σ9{2 2 1}[1 1 0] symmetric tilt grain boundary in Al

(2014) X.J. Shen et al.   PHILOSOPHICAL MAGAZINE

Solvent grain boundary diffusion in binary solid solutions: a new approach to evaluate solute grain boundary segregation

(2014) Vladimir A. Esin et al.   PHILOSOPHICAL MAGAZINE

Thermodynamics of stable nanocrystalline alloys: A Monte Carlo analysis

(2014) Tongjai Chookajorn et al.   PHYSICAL REVIEW B

Atomic-Scale Quantification of Grain Boundary Segregation in Nanocrystalline Material

(2014) M. Herbig et al.   PHYSICAL REVIEW LETTERS

A novel approach to measure grain boundary segregation in bulk polycrystalline materials in dependence of the boundaries’ five rotational degrees of freedom

(2014) S. Mandal et al.   SCRIPTA MATERIALIA

Segregation engineering enables nanoscale martensite to austenite phase transformation at grain boundaries: A pathway to ductile martensite

(2013) D. Raabe et al.   ACTA MATERIALIA

Atomistic simulations of grain boundary segregation in nanocrystalline yttria-stabilized zirconia and gadolinia-doped ceria solid oxide electrolytes

(2013) Hark B. Lee et al.   ACTA MATERIALIA

Stability of binary nanocrystalline alloys against grain growth and phase separation

(2013) Heather A. Murdoch et al.   ACTA MATERIALIA

Grain boundary complexions

(2013) Patrick R. Cantwell et al.   ACTA MATERIALIA

Unified mechanism of intergranular embrittlement based on non-equilibrium grain boundary segregation

(2013) T Xu et al.   INTERNATIONAL MATERIALS REVIEWS

Grain Boundary Segregation of Interstitial and Substitutional Impurity Atoms in Alpha-Iron

(2013) M. Rajagopalan et al.   JOM

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

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

How to best measure atomic segregation to grain boundaries by analytical transmission electron microscopy

(2013) T. Walther et al.   JOURNAL OF MATERIALS SCIENCE

Atom probe study of grain boundary segregation in technically pure molybdenum

(2013) K. Babinsky et al.   MATERIALS CHARACTERIZATION

The effect of vanadium impurity on Nickel Σ5(012) grain boundary

(2013) EL Tayeb Bentria et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Intergranular embrittlement of iron by phosphorus segregation: an atomistic simulation

(2013) Won-Seok Ko et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

(2013) J Svoboda et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Quantifying the energetics and length scales of carbon segregation toα-Fe symmetric tilt grain boundaries using atomistic simulations

(2013) N R Rhodes et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Atomic-resolution observation of Hf-doped alumina grain boundaries

(2013) Zhiyang Yu et al.   SCRIPTA MATERIALIA

Direct correlations between fracture toughness and grain boundary segregation behavior in ytterbium-doped magnesium aluminate spinel

(2013) W. Cao et al.   SCRIPTA MATERIALIA

Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210)[001] tilt grain boundary

(2013) Anders Lindman et al.   SOLID STATE IONICS

Grain boundary segregation in a bronze-route Nb3Sn superconducting wire studied by atom probe tomography

(2013) M J R Sandim et al.   SUPERCONDUCTOR SCIENCE & TECHNOLOGY

Cs-Corrected STEM Observation and Atomic Modeling of Grain Boundary Impurities of Very Narrow Cu Interconnect

(2013) T. Nagano et al.   ECS Electrochemistry Letters

Grain boundary complexion transitions in WO3- and CuO-doped TiO2 bicrystals

(2012) Shuailei Ma et al.   ACTA MATERIALIA

Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3

(2012) E. E. Helgee et al.   Fuel Cells

Atomistic Investigation of the Role of Grain Boundary Structure on Hydrogen Segregation and Embrittlement in α-Fe

(2012) Kiran N. Solanki et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Identification of a bilayer grain boundary complexion in Bi-doped Cu

(2012) Animesh Kundu et al.   SCRIPTA MATERIALIA

Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low

(2012) Pavel Lejček et al.   SCRIPTA MATERIALIA

Oxygen vacancy segregation in grain boundaries of BaZrO3 using interatomic potentials

(2012) Anders Lindman et al.   SOLID STATE IONICS

Atomic scale investigation of redistribution of alloying elements in pearlitic steel wires upon cold-drawing and annealing

(2012) Y.J. Li et al.   ULTRAMICROSCOPY

First-Principles Study on Enhanced Grain Boundary Embrittlement of Iron by Phosphorus Segregation

(2011) Motohiro Yuasa et al.   MATERIALS TRANSACTIONS

Effect of impurities on structural, cohesive and magnetic properties of grain boundaries in α-Fe

(2011) E Wachowicz et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

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 on the Grain Boundary Embrittlement of Metals by Solute Segregation: Part I. Iron (Fe)-Solute (B, C, P, and S) Systems

(2010) Masatake Yamaguchi   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Bond mobility mechanism in grain boundary embrittlement: First-principles tensile tests of Fe with a P-segregatedΣ3grain boundary

(2010) Motohiro Yuasa et al.   PHYSICAL REVIEW B

Reversed anisotropy of grain boundary properties and its effect on grain boundary engineering

(2009) Pavel Lejček et al.   ACTA MATERIALIA

First-principles study of helium effect in a ferromagnetic iron grain boundary: Energetics, site preference and segregation

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

Thermodynamics of Grain Boundary Segregation and Applications to Anisotropy, Compensation Effect and Prediction

(2008) Pavel Lejček et al.   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

First-Principles Calculations of the Grain-Boundary Cohesive Energy

(2008) Masatake Yamaguchi   JOURNAL OF THE JAPAN INSTITUTE OF METALS