A Study on the Early Stages of Degradation of Multi-component Alloy Surfaces in Extreme Environments using the Multi-Cell Monte Carlo Method

Abstract

A computational toolset is presented and used in two examples that examined the interactions between structural materials and their extreme environments. A multi-cell Monte Carlo algorithm was developed to generate thermodynamically realistic solid-state alloy systems. These structures served as the foundation upon which surface slab models were generated. The tedious procedure of generating surface slab models from bulk structures was automated. The tools were used to study the high temperature surface corrosion resistance of a high-entropy alloy,Al10Nb15Ta5Ti30Zr40, and a nickel-based alloy, Ni70Nb10W20, under an oxygen and chlorine atmosphere, respectively. The results of this work increased the understanding of how structural systems interact with their corrosive environments at the atomic level.

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Document Details

Document Type
Technical Report
Publication Date
Mar 24, 2022
Accession Number
AD1176048

Entities

People

  • Tyler D. Doležal

Organizations

  • Air Force Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Algorithms
  • Chemical Compounds
  • Chemical Synthesis
  • Chemistry
  • Computational Science
  • Corrosion Resistance
  • Crystal Structure
  • Extreme Environments
  • High Temperature
  • Material Degradation Processes
  • Materials
  • Materials Engineering
  • Materials Science
  • Monte Carlo Method
  • Physical Chemistry
  • Thermodynamics

Readers

  • Computational Fluid Dynamics (CFD)
  • Materials Science and Engineering.
  • Powder metallurgy of Titanium alloys.