Accelerated modeling and new ferroelectric materials for naval SONAR

We have computationally designed new materials for use in naval sound navigation ranging (SONAR). Our quantum-mechanical studies show that these lead-free, nontoxic oxides are high-performance piezoelectrics with promise for use in naval SONAR and communications applications. To enable this research...

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Main Authors: Grinberg, I., Cooper, V.R., Shin, Y.-H., Rappe, A.M., Baring, T.J., Cable, S.B.
Format: Conference Proceeding
Language:English
Subjects:
Chemical industry
Defense industry
Inhibitors
Kinetic theory
Military standards
Thermodynamics
Toxic chemicals
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creator Grinberg, I.
Cooper, V.R.
Shin, Y.-H.
Rappe, A.M.
Baring, T.J.
Cable, S.B.
description We have computationally designed new materials for use in naval sound navigation ranging (SONAR). Our quantum-mechanical studies show that these lead-free, nontoxic oxides are 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 X1, resulting in a great speed-up over previous architectures.
doi_str_mv 10.1109/DOD_UGC.2004.9
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subjects Chemical industry
Defense industry
Inhibitors
Kinetic theory
Military standards
Thermodynamics
Toxic chemicals
title Accelerated modeling and new ferroelectric materials for naval SONAR
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