Ab initio prediction of vacancy energetics in HCP Al-Hf-Sc-Ti-Zr high entropy alloys and the subsystems

Study of vacancies in Fe (CoCrMnNi)100- medium- and high-entropy alloys by positron annihilation spectroscopy

(2021) Dennis Edgard Jodi et al.   SCRIPTA MATERIALIA

Factors affecting the vacancy formation energy in Fe70Ni10Cr20 random concentrated alloy

(2021) Anus Manzoor et al.   COMPUTATIONAL MATERIALS SCIENCE

Chemical environment and magnetic moment effects on point defect formations in CoCrNi-based concentrated solid-solution alloys

(2020) Huaqing Guan et al.   ACTA MATERIALIA

Defect properties in a VTaCrW equiatomic high entropy alloy (HEA) with the body centered cubic (bcc) structure

(2020) Shijun Zhao   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Search for vacancies in concentrated solid-solution alloys with fcc crystal structure

(2020) L. Resch et al.   Physical Review Materials

Phenomenon of ultra-fast tracer diffusion of Co in HCP high entropy alloys

(2020) Mayur Vaidya et al.   ACTA MATERIALIA

Vacancy diffusion in multi-principal element alloys: The role of chemical disorder in the ordered lattice

(2020) Spencer L. Thomas et al.   ACTA MATERIALIA

Tracer diffusion in single crystalline CoCrFeNi and CoCrFeMnNi high-entropy alloys: Kinetic hints towards a low-temperature phase instability of the solid-solution?

(2020) Daniel Gaertner et al.   SCRIPTA MATERIALIA

Statistical approach to obtaining vacancy formation energies in high-entropy crystals from first principles calculations: Application to a high-entropy diboride

(2020) S. E. Daigle et al.   Physical Review Materials

First principle study of magnetism and vacancy energetics in a near equimolar NiFeMnCr high entropy alloy

(2019) Congyi Li et al.   JOURNAL OF APPLIED PHYSICS

Kinetically driven ordering in phase separating alloys

(2019) Xi Zhang et al.   Physical Review Materials

Element Effects on High-Entropy Alloy Vacancy and Heterogeneous Lattice Distortion Subjected to Quasi-equilibrium Heating

(2019) E-Wen Huang et al.   Scientific Reports

Defect energetics for diffusion in CrMnFeCoNi high-entropy alloy from first-principles calculations

(2019) Masataka Mizuno et al.   COMPUTATIONAL MATERIALS SCIENCE

Vacancy formation enthalpy in CoCrFeMnNi high-entropy alloy

(2019) Kazuki Sugita et al.   SCRIPTA MATERIALIA

Bulk tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys

(2018) M. Vaidya et al.   ACTA MATERIALIA

Calculating free energies of point defects from ab initio

(2018) Xi Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance

(2018) Weiliang Chen et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study

(2018) Won-Mi Choi et al.   npj Computational Materials

Effect of d electrons on defect properties in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys

(2018) Shijun Zhao et al.   PHYSICAL REVIEW MATERIALS

Determination of the intrinsic diffusivities from the diffusion couple experiment in multicomponent systems

(2017) Marek Zajusz et al.   SCRIPTA MATERIALIA

Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy

(2017) Lukasz Rogal et al.   Scientific Reports

Ni tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys

(2016) M. Vaidya et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2

(2016) Shijun Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cluster Expansions for Thermodynamics and Kinetics of Multicomponent Alloys

(2015) Xi Zhang et al.   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

Ab initioprediction of vacancy properties in concentrated alloys: The case of fcc Cu-Ni

(2015) Xi Zhang et al.   PHYSICAL REVIEW B

Segregation and migration of species in the CrCoFeNi high entropy alloy

(2014) S.C. Middleburgh et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy

(2014) J. B. Piochaud et al.   PHYSICAL REVIEW B

Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys

(2013) K.-Y. Tsai et al.   ACTA MATERIALIA

Anomalous energy pathway of vacancy migration and self-diffusion in hcp Ti

(2011) S. L. Shang et al.   PHYSICAL REVIEW B

Formation energies of point defects at finite temperatures

(2010) B. Grabowski et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS