Unavoidable Disorder and Entropy in Multi-Component Systems

Abstract

The need for improved functionalities is driving the search for more complicated multi-component materials. Despite the factorially increasing composition space, ordered compounds with four or more species are rare. Here, we unveil the competition between the gain in enthalpy and entropy with increasing number of species by statistical analysis of the AFLOW data repositories. A threshold in the number of species is found where entropy gain exceeds enthalpy gain. Beyond that, enthalpy can be neglected, and disordercomplete or partialis unavoidable.

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Document Details

Document Type
Technical Report
Publication Date
Jul 10, 2019
Accession Number
AD1103544

Entities

People

  • Corey Oses
  • Cormac Toher
  • David Hicks
  • Stefano Curtarolo

Organizations

  • Duke University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Alloys
  • Big Data
  • Chemical Composition
  • Diseases And Disorders
  • Enthalpy
  • High Temperature
  • Low Temperature
  • Materials
  • Materials Science
  • Mechanical Engineering
  • Metallic Compounds
  • Phase
  • Phase Diagrams
  • Phase Separation
  • Solid Solutions
  • Statistical Analysis

Readers

  • Applied Combinatorial Optimization and Logic Circuit Design.
  • Materials Science and Engineering.

Technology Areas

  • Space
  • Space - Space Objects