Accelerated Modeling and New Ferroelectric Materials for Naval SONAR

Abstract

We have computationally designed new materials for use in Naval SOund NAvigation Ranging (SONAR). Our quantum-mechanical studies show that these lead-free, non-toxic oxides will be high-performance piezoelectrics with promise for use in Naval SONAR and communications applications. To enable this research, we also present techniques for greatly accelerated modeling of oxide materials. We show that a simple atomistic model accurately reproduces our quantum-mechanical results yet is thousands of times faster. We also report successful porting and performance tuning of our computer codes to the CRAY XI, resulting in a great speed-up over previous architectures.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2004
Accession Number
ADP023824

Entities

People

  • Andrew M Rappe
  • Ilya Grinberg
  • Sam B. Cable
  • Thomas J. Baring
  • Valentino R Cooper
  • Young-han Shin

Organizations

  • University of Pennsylvania

Tags

Communities of Interest

  • Advanced Electronics
  • C4I
  • Energy and Power Technologies
  • Ground and Sea Platforms

DTIC Thesaurus Topics

  • Density Functional Theory
  • Department Of Defense
  • Dielectric Permittivity
  • Dielectrics
  • Domain Walls
  • Electric Fields
  • Energy
  • Experimental Data
  • Ferroelectric Materials
  • Materials
  • Materials Science
  • Molecular Dynamics
  • Phase Diagrams
  • Phase Transformations
  • Simulations
  • Solid Solutions
  • Transition Temperature

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Marine Mammal Biology
  • Materials Science and Engineering.

Technology Areas

  • Quantum Computing