☆ 4.6 Article

Vacancy Energetics and Diffusivities in the Equiatomic Multielement Nb-Mo-Ta-W Alloy

MATERIALS (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Materials Science, Multidisciplinary

Vacancy formation energies and migration barriers in multi-principal element alloys

Ankit Roy et al.

Summary: This study investigates the stability and diffusion barriers of vacancies in high-temperature alloys using density-functional theory and finds that local lattice distortion caused by charge-transfer between neighboring atoms in different chemical environments strongly affects the stability and barriers. The study suggests that (Ti, Zr) elements are more likely to diffuse than (Mo, W) elements under irradiation, indicating the potential for controlling material degradation through tuning the composition of alloying elements.

ACTA MATERIALIA (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

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

Xi Zhang et al.

Summary: In this study, ab initio density-functional-theory calculations were used to investigate the vacancy formation and migration energies in HCP Al-Hf-Sc-Ti-Zr high entropy alloys (HEAs) and their subsystems. The temperature-dependent formation Gibbs energies and averaged atomic environments were obtained using the special quasi-random structure approach and statistical analysis. It was found that the temperature-dependent vacancy formation Gibbs energy had a negative configurational entropy contribution. The local cluster expansion technique was applied to explore extended vacancy migration phase spaces.

ACTA MATERIALIA (2022)

添加到收藏夹

Article Computer Science, Interdisciplinary Applications

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson et al.

Summary: LAMMPS, a classical molecular dynamics simulator released as an open source code in 2004, has gained popularity for its wide variety of particle interaction models, platform compatibility, and user control over simulation details. With contributions from numerous developers, it has grown from 50,000 lines of code to a million today, showcasing new capabilities like dynamic load balancing and quantum-accuracy machine learning interatomic potentials.

COMPUTER PHYSICS COMMUNICATIONS (2022)

添加到收藏夹

Article Nanoscience & Nanotechnology

Short-range order localizing diffusion in multi-principal element alloys

Bin Xing et al.

Summary: The impact of chemical short-range order (SRO) on diffusion in multi-principal elements alloys is computationally studied and theoretically analyzed. It is found that the presence of SRO considerably reduces and localizes vacancy-mediated diffusion, which is induced by an increase of migration barrier and enhanced diffusion correlation. The results imply that controlling the ordering in chemistry can potentially manipulate diffusional behaviors in multi-principal elements alloys.

SCRIPTA MATERIALIA (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

Microstructural stability and aging behavior of refractory high entropy alloys at intermediate temperatures

P. P. Cao et al.

Summary: This study examined the microstructures and aging behaviors of several refractory high entropy alloys annealed at intermediate temperatures. The alloys exhibited decomposition into multiple phases at around 500 degrees C, but reentered the single-phase region at different temperatures. The onset decomposition temperature was found to be influenced by the elemental diffusion rates, while the ending decomposition temperature was strongly dependent on the elemental melting points.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2022)

添加到收藏夹

Article Materials Science, Multidisciplinary

Defect accumulation and evolution in refractory multi-principal element alloys

Shijun Zhao et al.

Summary: This study compares defect accumulation and evolution in two BCC refractory MPEAs through atomistic simulations, showing that the chemical complexity plays a critical role in defect evolution.

ACTA MATERIALIA (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

Kinetic Monte Carlo simulation framework for chemical short-range order formation kinetics in a multi-principal-element alloy

Zeqi Shen et al.

Summary: The study proposed a simulation framework to investigate the kinetics of CSRO formation in high-entropy alloys. By simulating, the temperature-dependent CSRO formation kinetics were obtained and a time-temperature-CSRO degree diagram was constructed, allowing for tailored CSRO of HEAs through thermal processing.

COMPUTATIONAL MATERIALS SCIENCE (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Predicting single phase stability and segregation in the NbMoTaTi-(W,V) high entropy alloy system with the vacancy exchange potential

Samuel W. McAlpine et al.

Summary: Researchers studied two equimolar refractory high entropy alloys and determined the vacancy exchange potential in both of them through calculations. The results suggest that this can serve as a rapid predictor of stability.

SCRIPTA MATERIALIA (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Irradiation resistance mechanism of the CoCrFeMnNi equiatomic high-entropy alloy

Q. Xu et al.

Summary: The study revealed the resistance of CoCrFeMnNi HEA to the formation of vacancy clusters involving three vacancies by calculating the binding energy of vacancy clusters in the alloy. It further discussed the possible structural changes that may occur during high-energy ion or neutron irradiation damage.

SCIENTIFIC REPORTS (2021)

添加到收藏夹

Article Chemistry, Physical

Effects of local elemental ordering on defect-grain boundary interactions in high-entropy alloys

Shijun Zhao

Summary: This study investigates the interactions between defects and grain boundaries in a model high-entropy alloy through atomistic simulations. It reveals the significant influence of chemical disorder and local elemental segregation on defect-GB interactions, emphasizing the dominant roles of local ordering tendency and elemental segregation in high-entropy alloys.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

添加到收藏夹

Article Chemistry, Physical

A study on the severely cold-rolled and annealed quaternary equiatomic derivatives from quinary HfNbTaTiZr refractory high entropy alloy

Yung-Chien Huang et al.

Summary: The study demonstrates that the alloying element Ta significantly decelerates grain boundary migration, thereby hindering grain growth and increasing the activation energy value for grain growth Q(G).

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Hot deformation behaviors of an ultrafine-grained MoNbTaTiV refractory high-entropy alloy fabricated by powder metallurgy

Qing Liu et al.

Summary: The hot deformation behaviors of ultrafine-grained MoNbTaTiV refractory high entropy alloy were studied, showing that flow stress decreases and grain size increases with increasing deformation temperature and decreasing strain rate. The dominant dynamic recrystallization process changed from discontinuous to continuous with increasing deformation temperature. Different deformation mechanisms were observed under different conditions.

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2021)

添加到收藏夹

Article Chemistry, Physical

Low energy atomic traps sluggardize the diffusion in compositionally complex refractory alloys

Ankit Roy et al.

Summary: Studies have shown that the atomic diffusion rate in complex alloys is slower than in pure metals, with higher activation energies. Strong attraction between unlike atomic pairs and the presence of low-energy atomic traps significantly hinder atom migration at high temperatures, reducing creep strain rates.

INTERMETALLICS (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

Role of chemical disorder and local ordering on defect evolution in high-entropy alloys

Shijun Zhao

Summary: The delayed defect evolution in high-entropy alloys is mainly caused by chemical fluctuations and local short-range ordering. Manipulating the chemical disorder states of HEAs, such as local ordering, offers a promising way to enhance their irradiation performance.

PHYSICAL REVIEW MATERIALS (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Hierarchically activated deformation mechanisms to form ultra-fine grain microstructure in carbon containing FeMnCoCr twinning induced plasticity high entropy alloy

Mohsen Saboktakin Rizi et al.

Summary: In carbon-containing FeMnCoCr twinning induced plasticity (TWIP) high-entropy alloy (HEA), heterogeneous bimodal structure can be achieved through subdivision of microstructure, continuous dynamic recrystallization, and static recrystallization.

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

High strength dual fcc phase CoCuFeMnNi high-entropy alloy wires with dislocation wall boundaries stabilized by phase boundaries

Sang Hun Shim et al.

Summary: The as-drawn dual fcc phase CoCuFeMnNi wire exhibits extraordinary high strength at room temperature due to the ultrafine elongated subgrain structure, which is attributed to the stabilization of narrow dislocation wall boundaries by thermodynamically driven nanoscale fcc phase separation.

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2021)

添加到收藏夹

Article Materials Science, Multidisciplinary

Modeling refractory high-entropy alloys with efficient machine-learned interatomic potentials: Defects and segregation

J. Byggmastar et al.

Summary: The study reveals that in the MoNbTaVW alloy, different atomic elements exhibit different segregation behaviors, and during annealing, interstitial atoms in MoNbTaVW tend to recombine defects rather than cluster, in contrast to W.

PHYSICAL REVIEW B (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Vacancy formation enthalpy in CoCrFeMnNi high-entropy alloy

Kazuki Sugita et al.

SCRIPTA MATERIALIA (2020)

添加到收藏夹

Article Materials Science, Multidisciplinary

Chemical short range order strengthening in a model FCC high entropy alloy

E. Antillon et al.

ACTA MATERIALIA (2020)

添加到收藏夹

Article Materials Science, Multidisciplinary

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

Shijun Zhao

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

添加到收藏夹

Article Nanoscience & Nanotechnology

Unusual dislocation behavior in high-entropy alloys

Evan Ma

SCRIPTA MATERIALIA (2020)

添加到收藏夹

Article Chemistry, Physical

Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy

Xiang-Guo Li et al.

NPJ COMPUTATIONAL MATERIALS (2020)

添加到收藏夹

Article Physics, Applied

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

Congyi Li et al.

JOURNAL OF APPLIED PHYSICS (2019)

添加到收藏夹

Article Materials Science, Multidisciplinary

Unique deformation behavior and microstructure evolution in high temperature processing of HfNbTaTiZr refractory high entropy alloy

Rajeshwar R. Eleti et al.

ACTA MATERIALIA (2019)

添加到收藏夹

Article Thermodynamics

Vacancy formation energy in CuNiCo equimolar alloy and CuNiCoFe high entropy alloy: ab initio based study

A. Esfandiarpour et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2019)

添加到收藏夹

Article Materials Science, Multidisciplinary

Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC

Sebastian Alexander Kube et al.

ACTA MATERIALIA (2019)

添加到收藏夹

Article Multidisciplinary Sciences

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

E-Wen Huang et al.

SCIENTIFIC REPORTS (2019)

添加到收藏夹

Article Materials Science, Multidisciplinary

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

Weiliang Chen et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2018)

添加到收藏夹

Article Materials Science, Multidisciplinary

High temperature deformation in fine grained high entropy alloys

Atul H. Chokshi

MATERIALS CHEMISTRY AND PHYSICS (2018)

添加到收藏夹

Article Nanoscience & Nanotechnology

Exploring radiation induced segregation mechanisms at grain boundaries in equiatomic CoCrFeNiMn high entropy alloy under heavy ion irradiation

Christopher M. Barr et al.

SCRIPTA MATERIALIA (2018)

添加到收藏夹

Article Chemistry, Physical

Mechanical properties of refractory high-entropy alloys: Experiments and modeling

H. W. Yao et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2017)

添加到收藏夹

Article Chemistry, Physical

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

A. Fernandez-Caballero et al.

JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION (2017)

添加到收藏夹

Article Materials Science, Multidisciplinary

Thermodynamics of vacancies and clusters in high-entropy alloys

Zhijun Wang et al.

PHYSICAL REVIEW MATERIALS (2017)

添加到收藏夹

Review Materials Science, Multidisciplinary

A critical review of high entropy alloys and related concepts

D. B. Miracle et al.

ACTA MATERIALIA (2017)

添加到收藏夹

Article Materials Science, Multidisciplinary

Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys

Chenyang Lu et al.

ACTA MATERIALIA (2017)

添加到收藏夹

Article Materials Science, Multidisciplinary

Microstructural stability and mechanical behavior of FeNiMnCr high entropy alloy under ion irradiation

N. A. P. Kiran Kumar et al.

ACTA MATERIALIA (2016)

添加到收藏夹

Article Physics, Multidisciplinary

MoNbTaV Medium-Entropy Alloy

Hongwei Yao et al.

ENTROPY (2016)

添加到收藏夹

Article Physics, Multidisciplinary

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

Fritz Kormann et al.

ENTROPY (2016)

添加到收藏夹

Article Materials Science, Multidisciplinary

Phase stability and microstructures of high entropy alloys ion irradiated to high doses

Songqin Xia et al.

JOURNAL OF NUCLEAR MATERIALS (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off

Zhiming Li et al.

NATURE (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity

K. Jin et al.

SCIENTIFIC REPORTS (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Quantum Critical Behavior in a Concentrated Ternary Solid Solution

Brian C. Sales et al.

SCIENTIFIC REPORTS (2016)

添加到收藏夹

Article Thermodynamics

Accelerated exploration of multi-principal element alloys for structural applications

O. N. Senkov et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2015)

添加到收藏夹

Article Chemistry, Physical

Enhanced mechanical properties of HfMoTaTiZr and HfMoNbTaTiZr refractory high-entropy alloys

Chien-Chang Juan et al.

INTERMETALLICS (2015)

添加到收藏夹

Article Metallurgy & Metallurgical Engineering

Irradiation Behavior in High Entropy Alloys

Song-qin Xia et al.

JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL (2015)

添加到收藏夹

Article Crystallography

Single-phase high-entropy alloys - an overview

Roksolana Kozak et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS (2015)

添加到收藏夹

Article Materials Science, Multidisciplinary

Stress-dependent solute energetics in W-Re alloys from first-principles calculations

M. Z. Hossain et al.

ACTA MATERIALIA (2014)

添加到收藏夹

Article Materials Science, Multidisciplinary

Effect of aluminum on the microstructure and properties of two refractory high-entropy alloys

O. N. Senkov et al.

ACTA MATERIALIA (2014)

添加到收藏夹

Article Materials Science, Multidisciplinary

Size-dependent plasticity in an Nb25Mo25Ta25W25 refractory high-entropy alloy

Yu Zou et al.

ACTA MATERIALIA (2014)

添加到收藏夹

Article Materials Science, Multidisciplinary

Microstructure and Properties of Aluminum-Containing Refractory High-Entropy Alloys

O. N. Senkov et al.

JOM (2014)

添加到收藏夹

Article Materials Science, Multidisciplinary

Irradiation Resistance of Multicomponent Alloys

T. Egami et al.

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE (2014)

添加到收藏夹

Review Materials Science, Multidisciplinary

High-Entropy Alloys: A Critical Review

Ming-Hung Tsai et al.

MATERIALS RESEARCH LETTERS (2014)

添加到收藏夹

Article Chemistry, Physical

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys

O. N. Senkov et al.

INTERMETALLICS (2011)

添加到收藏夹

Article Chemistry, Physical

Refractory high-entropy alloys

O. N. Senkov et al.

INTERMETALLICS (2010)

添加到收藏夹

Article Materials Science, Multidisciplinary

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

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

添加到收藏夹

Article Materials Science, Multidisciplinary

Theory of electronic transport in random alloys with short-range order:: Korringa-Kohn-Rostoker nonlocal coherent potential approximation

P. R. Tulip et al.

PHYSICAL REVIEW B (2008)

添加到收藏夹

Article Nanoscience & Nanotechnology

Microstructural development in equiatomic multicomponent alloys

B Cantor et al.

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2004)

添加到收藏夹

Article Materials Science, Multidisciplinary

Nanostructured high-entropy alloys with multiple principal elements: Novel alloy design concepts and outcomes

JW Yeh et al.

ADVANCED ENGINEERING MATERIALS (2004)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.