Pressure- and temperature-dependent physical metallurgy in a face-centered cubic NiCoFeCrMn high entropy alloy and its subsystems

Influence of noble metals on the electronic and optical properties of the monoclinic ZrO2: A first-principles study

(2021) Yong Pan et al.   VACUUM

First-principles investigation of phonon dynamics and electrochemical performance of TiO2-x oxides lithium-ion batteries

(2020) Yong Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The hydrogenation mechanism of PtAl and IrAl thermal barrier coatings from first-principles investigations

(2020) Y. Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

An Atomistic Modeling Study of the Relationship between Critical Resolved Shear Stress and Atomic Structure Distortion in FCC High Entropy Alloys — Relationship in Random Solid Solution and Chemical-Short-Range-Order Alloys —

(2020) Md. Lokman Ali et al.   MATERIALS TRANSACTIONS

Influence of Mo concentration on the structure, mechanical and thermodynamic properties of Mo–Al compounds from first-principles calculations

(2020) Yong Pan et al.   VACUUM

Influence of transition metal on the mechanical and thermodynamic properties of IrAl thermal barrier coating

(2020) Yong Pan et al.   VACUUM

Influence of high pressure on the structure, hardness and brittle-to-ductile transition of NbSi2 ceramics

(2020) D.L. Pu et al.   CERAMICS INTERNATIONAL

Sulfur vacancy enhances the electronic and optical properties of FeS2 as the high performance electrode material

(2020) Yong Pan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural, electronic, mechanical and thermodynamic properties of Cr–Si binary silicides from first-principles investigations

(2020) Y. Pan et al.   VACUUM

Adjusting the correlation between the oxidation resistance and mechanical properties of Pt-based thermal barrier coating

(2019) Yong Pan et al.   VACUUM

Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy

(2018) G. Laplanche et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Mechanical properties of high-entropy alloys with emphasis on face-centered cubic alloys

(2018) Zezhou Li et al.   PROGRESS IN MATERIALS SCIENCE

Correlation between lattice distortion and friction stress in Ni-based equiatomic alloys

(2017) Y.Y. Zhao et al.   INTERMETALLICS

The high-entropy alloys with high hardness and soft magnetic property prepared by mechanical alloying and high-pressure sintering

(2016) P.F. Yu et al.   INTERMETALLICS

First-principle investigations of structure, elastic and bond hardness of FexB (x=1, 2, 3) under pressure

(2016) Ahmed Gueddouh et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Atomic displacement in the CrMnFeCoNi high-entropy alloy – A scaling factor to predict solid solution strengthening

(2016) Norihiko L. Okamoto et al.   AIP Advances

Polycrystalline elastic moduli of a high-entropy alloy at cryogenic temperatures

(2015) A. Haglund et al.   INTERMETALLICS

Distributions of phonon lifetimes in Brillouin zones

(2015) Atsushi Togo et al.   PHYSICAL REVIEW B

Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

(2015) ZiJiao Zhang et al.   Nature Communications

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures

(2014) Z. Wu et al.   ACTA MATERIALIA

A theoretical study of the elastic and thermal properties of ScRu compound under pressure

(2014) Shuo Huang et al.   PHYSICA SCRIPTA

A fracture-resistant high-entropy alloy for cryogenic applications

(2014) B. Gludovatz et al.   SCIENCE

High pressure effect on the electronic structure and thermoelectric properties of BiCuSeO: first-principles calculations

(2014) Daifeng Zou et al.   RSC Advances

Tensile properties of high- and medium-entropy alloys

(2013) A. Gali et al.   INTERMETALLICS

Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy

(2013) A. J. Zaddach et al.   JOM

Alloying, thermal stability and strengthening in spark plasma sintered AlxCoCrCuFeNi high entropy alloys

(2013) R. Sriharitha et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First-principles study of the structural, elastic, electronic, optical, and vibrational properties of intermetallic Pd2Ga

(2012) A Yildirim et al.   Chinese Physics B

First-principles studies of the structural, elastic, electronic and thermal properties of Ni3Si

(2012) Yong Cao et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles investigation of structural and electronic properties of MgCu2 Laves phase under pressure

(2012) Yong Liu et al.   INTERMETALLICS

Microstructure and wear behavior of AlxCo1.5CrFeNi1.5Tiy high-entropy alloys

(2011) Ming-Hao Chuang et al.   ACTA MATERIALIA

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys

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

Mechanical Properties and Defective Effects of 316LN Stainless Steel by First-Principles Simulations

(2011) X.Q. Li et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

First-principles calculations of pressure-induced phase transformation in AlN and GaN

(2010) H.Y. Xiao et al.   COMPUTATIONAL MATERIALS SCIENCE

Damage assessment in structural metallic materials for advanced nuclear plants

(2010) Wolfgang Hoffelner   JOURNAL OF MATERIALS SCIENCE

Creep deformation of Alloys 617 and 276 at 750–950°C

(2009) Ajit K. Roy et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

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

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

Pressure-induced incompressibility of ReC and effect of metallic bonding on its hardness

(2008) Huiyang Gou et al.   APPLIED PHYSICS LETTERS

High-pressure structures of lithium, potassium, and rubidium predicted by anab initioevolutionary algorithm

(2008) Yanming Ma et al.   PHYSICAL REVIEW B

Dynamic strain ageing of an austenitic superalloy—Temperature and strain rate effects

(2007) Ajit K. Roy et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING