Computational Characterizations of High-Entropy Alloys

Abstract

High-entropy alloys (HEAs) have recently attracted intensive interests for their useful properties: mechanical properties such as ductility and strength under high temperature, electrochemical properties such as anti-corrosion, etc. The essential mechanism as the origin of these useful properties is however not well clarified. The characterizations of their microscopic structures (even their stoichiometry in some cases) are not well investigated. The situation is actually caused by the fact that the methodologies of characterizations are not well developed for these materials. The aim of the study here is to resolve the situation by developing simulation schemes to characterize microscopic structures and to predict their synthesizability.

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Document Details

Document Type
Technical Report
Publication Date
Jan 07, 2023
Accession Number
AD1194199

Entities

People

  • Kenta Hongo

Organizations

  • Japan Advanced Institute of Science and Technology

Tags

Communities of Interest

  • Autonomy
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Advanced Materials
  • Air Force Research Laboratories
  • Ceramic Materials
  • Corrosion Inhibition
  • Density Functional Theory
  • Electrical Properties
  • First Principles Calculations
  • Information Science
  • Lithium Ion Batteries
  • Machine Learning
  • Magnetic Resonance
  • Materials
  • Materials Science
  • Mechanical Properties
  • Nuclear Magnetic Resonance
  • Phase Diagrams
  • Signal Processing
  • Silicon Carbide
  • Statistical Analysis
  • Subatomic Particles
  • Superconductivity

Fields of Study

  • Materials science

Readers

  • Powder metallurgy of Titanium alloys.
  • Systems Analysis and Design