Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys

First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy

(2019) Binglun Yin et al.   npj Computational Materials

Modeling solution hardening in BCC refractory complex concentrated alloys: NbTiZr, Nb1.5TiZr0.5 and Nb0.5TiZr1.5

(2019) S.I. Rao et al.   ACTA MATERIALIA

Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials

(2019) Tatiana Kostiuchenko et al.   npj Computational Materials

Correlation of microdistortions with misfit volumes in High Entropy Alloys

(2019) Wolfram Georg Nöhring et al.   SCRIPTA MATERIALIA

Direct measurement of nanostructural change during in situ deformation of a bulk metallic glass

(2019) Thomas C. Pekin et al.   Nature Communications

High-entropy alloys

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

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K

(2019) Francesco Maresca et al.   ACTA MATERIALIA

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

(2019) Francesco Maresca et al.   ACTA MATERIALIA

Study of a bcc multi-principal element alloy: Tensile and simple shear properties and underlying deformation mechanisms

(2018) L. Lilensten et al.   ACTA MATERIALIA

Development and exploration of refractory high entropy alloys—A review

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

Chemical short-range orders and the induced structural transition in high-entropy alloys

(2018) Yue Ma et al.   SCRIPTA MATERIALIA

Predicting yield strengths of noble metal high entropy alloys

(2018) Céline Varvenne et al.   SCRIPTA MATERIALIA

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

Enhanced strength and ductility in a high-entropy alloy via ordered oxygen complexes

(2018) Zhifeng Lei et al.   NATURE

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

(2018) Francesco Maresca et al.   npj Computational Materials

Short-Range Order in High Entropy Alloys: Theoretical Formulation and Application to Mo-Nb-Ta-V-W System

(2017) A. Fernández-Caballero et al.   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

(2017) F. X. Zhang et al.   PHYSICAL REVIEW LETTERS

Theory of strengthening in fcc high entropy alloys

(2016) Céline Varvenne et al.   ACTA MATERIALIA

Interplay between Lattice Distortions, Vibrations and Phase Stability in NbMoTaW High Entropy Alloys

(2016) Fritz Körmann et al.   Entropy

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures

(2016) Bernd Gludovatz et al.   Nature Communications

Long-ranged interactions in bcc NbMoTaW high-entropy alloys

(2016) Fritz Körmann et al.   Materials Research Letters

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

(2015) Artur Tamm et al.   ACTA MATERIALIA

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

(2015) A.P. Thompson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Microstructural investigation of plastically deformed Ti20Zr20Hf20Nb20Ta20 high entropy alloy by X-ray diffraction and transmission electron microscopy

(2015) G. Dirras et al.   MATERIALS CHARACTERIZATION

On the room temperature deformation mechanisms of a TiZrHfNbTa refractory high-entropy alloy

(2015) J.-Ph. Couzinié et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Ab initiomodeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals

(2014) L. Dezerald et al.   PHYSICAL REVIEW B

A fracture-resistant high-entropy alloy for cryogenic applications

(2014) B. Gludovatz et al.   SCIENCE

Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

(2013) Lisa Ventelon et al.   ACTA MATERIALIA

Efficient stochastic generation of special quasirandom structures

(2013) A. van de Walle et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Slip planes in bcc transition metals

(2013) C R Weinberger et al.   INTERNATIONAL MATERIALS REVIEWS

Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W

(2013) William Paul Huhn et al.   JOM

Interatomic potentials for modelling radiation defects and dislocations in tungsten

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

Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory

(2013) Christopher R. Weinberger et al.   PHYSICAL REVIEW B

First-principles study on the mobility of screw dislocations in bcc iron

(2012) M. Itakura et al.   ACTA MATERIALIA

Quantum effect on thermally activated glide of dislocations

(2012) Laurent Proville et al.   NATURE MATERIALS

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys

(2011) O.N. Senkov et al.   INTERMETALLICS

QM/MM study of dislocation—hydrogen/helium interactions in α-Fe

(2011) Yi Zhao et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Screw dislocation mobility in BCC Metals: a refined potential description for α-Fe

(2011) P.A. Gordon et al.   PHILOSOPHICAL MAGAZINE

Dislocation core field. I. Modeling in anisotropic linear elasticity theory

(2011) Emmanuel Clouet   PHYSICAL REVIEW B

Refractory high-entropy alloys

(2010) O.N. Senkov et al.   INTERMETALLICS

Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation

(2010) P A Gordon et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Elastic energy of a straight dislocation and contribution from core tractions

(2009) Emmanuel Clouet   PHILOSOPHICAL MAGAZINE

Dislocation Core Energies and Core Fields from First Principles

(2009) Emmanuel Clouet et al.   PHYSICAL REVIEW LETTERS