Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy

Fabrication of ultra-high-temperature nonstoichiometric hafnium carbonitride via combustion synthesis and spark plasma sintering

(2020) V.S. Buinevich et al.   CERAMICS INTERNATIONAL

Coordination corrected ab initio formation enthalpies

(2019) Rico Friedrich et al.   npj Computational Materials

Identifying rhenium substitute candidate multiprincipal-element alloys from electronic structure and thermodynamic criteria

(2019) Axel van de Walle et al.   JOURNAL OF MATERIALS RESEARCH

Carbides and Nitrides of Zirconium and Hafnium

(2019) Sergey V. Ushakov et al.   Materials

First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings

(2019) Ruoshi Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

A user guide for SLUSCHI : Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces

(2016) Qi-Jun Hong et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Investigating the highest melting temperature materials: A laser melting study of the TaC-HfC system

(2016) Omar Cedillos-Barraza et al.   Scientific Reports

Combined computational and experimental investigation of the refractory properties of La 2 Zr 2 O 7

(2015) Qi-Jun Hong et al.   ACTA MATERIALIA

Equation of state of solid, liquid and gaseous tantalum from first principles

(2015) Ljubomir Miljacic et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Prediction of the material with highest known melting point fromab initiomolecular dynamics calculations

(2015) Qi-Jun Hong et al.   PHYSICAL REVIEW B

Electronic Origins of Anomalous Twin Boundary Energies in Hexagonal Close Packed Transition Metals

(2015) Maarten de Jong et al.   PHYSICAL REVIEW LETTERS

Efficient stochastic generation of special quasirandom structures

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

Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures

(2013) Qi-Jun Hong et al.   JOURNAL OF CHEMICAL PHYSICS

Rhenium reduction—alloy design using an economically strategic element

(2010) Paul J. Fink et al.   JOM