Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys

High-entropy alloys

(2019) Easo P. George et al.   Nature Reviews Materials

High temperature strength of refractory complex concentrated alloys

(2019) O.N. Senkov et al.   ACTA MATERIALIA

Tuning element distribution, structure and properties by composition in high-entropy alloys

(2019) Qingqing Ding et al.   NATURE

Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways

(2019) Qing-Jie Li et al.   Nature Communications

Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys

(2019) Francesco Maresca et al.   ACTA MATERIALIA

A 3D phase field dislocation dynamics model for body-centered cubic crystals

(2019) Xiaoyao Peng et al.   COMPUTATIONAL MATERIALS SCIENCE

First-Principles Statistical Mechanics of Multicomponent Crystals

(2018) A. Van der Ven et al.   Annual Review of Materials Research

Development and exploration of refractory high entropy alloys—A review

(2018) Oleg N. Senkov et al.   JOURNAL OF MATERIALS RESEARCH

Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys

(2018) Jun Ding et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Machine-learning the configurational energy of multicomponent crystalline solids

(2018) Anirudh Raju Natarajan et al.   npj Computational Materials

Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys

(2018) Sai Mu et al.   npj Computational Materials

Decohesion models informed by first-principles calculations: The ab initio tensile test

(2017) Raúl A. Enrique et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Rational Composition Optimization of the Lithium-Rich Li3OCl1–xBrx Anti-Perovskite Superionic Conductors

(2015) Zhi Deng et al.   CHEMISTRY OF MATERIALS

Solute embrittlement of SiC

(2014) Raúl A. Enrique et al.   JOURNAL OF APPLIED PHYSICS

Finite-temperature properties of strongly anharmonic and mechanically unstable crystal phases from first principles

(2014) John C. Thomas et al.   PHYSICAL REVIEW B

Thermodynamics of the Zr-O system from first-principles calculations

(2013) B. Puchala et al.   PHYSICAL REVIEW B

Influence of the stacking fault energy surface on partial dislocations in fcc metals with a three-dimensional phase field dislocations dynamics model

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

Systematic approach for determination of equilibrium atomic surface structure

(2010) John C. Thomas et al.   PHYSICAL REVIEW B

Bayesian approach to cluster expansions

(2009) Tim Mueller et al.   PHYSICAL REVIEW B

Vacancy mediated substitutional diffusion in binary crystalline solids

(2009) Anton Van der Ven et al.   PROGRESS IN MATERIALS SCIENCE