Multiscale Modeling of Armor Ceramics: Focus on AlON

Abstract

The computational modeling linkage from the atomistic to the continuum scales of homogeneous and discrete deformation mechanisms (twinning, cleavage, micro-cracking, stacking faults, et cetera), nano- and microstructure and defects, to dynamic failure processes in brittle materials should provide pathways to designing improved mechanical performance through controlled processing. This report will review results from an internal multiscale computational program in first-principles design of armor ceramics, with a focus on an optically transparent armor ceramic, polycrystalline (~200 micro grain size) aluminum oxynitride (AlON) spinel, that uses a multiscale modeling approach, and will overview the special computational challenges that are required for linking the vast spatiotemporal scales from the quantum to the continuum. The GRAND CHALLENGE is to be able to design materials atom by atom and to predict performance.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 2011
Accession Number
ADA553163

Entities

People

  • B. M. Love
  • Betsy M. Rice
  • Brian E. Schuster
  • D. P. Dandekar
  • Daniel Casem
  • George A. Gazonas
  • I. G. Batyrev
  • J. W. Mccauley
  • John D. Clayton
  • R. Kraft

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Alkenes
  • Computational Modeling
  • Elastic Properties
  • Electron Microscopy
  • Elements
  • Failure Mode And Effect Analysis
  • First Principles Calculations
  • Materials
  • Measurement
  • Mechanical Properties
  • Mechanics
  • Molecular Dynamics
  • Multiscale Modeling
  • Polycrystals
  • Quantum Mechanics
  • Stress Strain Relations
  • Three Dimensional

Readers

  • Computational Fluid Dynamics (CFD)
  • Materials Science (Mechanical Engineering).
  • Systems Analysis and Design

Technology Areas

  • Quantum Computing