A machine learning approach to model solute grain boundary segregation

Interplay between thermodynamic and kinetic stabilization mechanisms in nanocrystalline Fe-Mg alloys

(2018) Dor Amram et al.   ACTA MATERIALIA

Migration mechanisms of a faceted grain boundary

(2018) R. Hadian et al.   PHYSICAL REVIEW MATERIALS

Atomic simulations of the effect of Y and Al segregation on the boundary characteristics of a double twin in Mg

(2017) Naoki Miyazawa et al.   JOURNAL OF APPLIED PHYSICS

Grain-boundary metastability and its statistical properties

(2016) Jian Han et al.   ACTA MATERIALIA

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

Hydrogen segregation to inclined twin grain boundaries in nickel

(2016) Christopher J. O’Brien et al.   PHILOSOPHICAL MAGAZINE

Misoriented grain boundaries vicinal to the twin in Nickel part II: thermodynamics of hydrogen segregation

(2016) Christopher J. O’Brien et al.   PHILOSOPHICAL MAGAZINE

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

(2015) Daniel Scheiber et al.   ACTA MATERIALIA

A mechanistic study of impurity segregation at silicon grain boundaries

(2015) Peter Käshammer et al.   JOURNAL OF APPLIED PHYSICS

Interatomic potential for the ternary Ni–Al–Co system and application to atomistic modeling of the B2–L10martensitic transformation

(2015) G P Purja Pun et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Importance of coordination number and bond length in titanium revealed by electronic structure investigations

(2015) Liang-Feng Huang et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships

(2015) Eric R. Homer et al.   Scientific Reports

Atomistic simulations of the interaction of alloying elements with grain boundaries in Mg

(2014) Liam Huber et al.   ACTA MATERIALIA

Solute strengthening of twinning dislocations in Mg alloys

(2014) M. Ghazisaeidi et al.   ACTA MATERIALIA

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

Periodic Segregation of Solute Atoms in Fully Coherent Twin Boundaries

(2013) J. F. Nie et al.   SCIENCE

Symmetries in the representation of grain boundary-plane distributions

(2012) Srikanth Patala et al.   PHILOSOPHICAL MAGAZINE

Design of Stable Nanocrystalline Alloys

(2012) T. Chookajorn et al.   SCIENCE

The topology of homophase misorientation spaces

(2011) S. Patala et al.   PHILOSOPHICAL MAGAZINE

Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy

(2009) David L. Olmsted et al.   ACTA MATERIALIA

VORO++: A three-dimensional Voronoi cell library in C++

(2009) Chris H. Rycroft   CHAOS

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Development of interatomic potentials appropriate for simulation of solid–liquid interface properties in Al–Mg alloys

(2009) M.I. Mendelev et al.   PHILOSOPHICAL MAGAZINE

Stabilization of nanocrystalline grain sizes by solute additions

(2008) C. C. Koch et al.   JOURNAL OF MATERIALS SCIENCE