Accession Number : ADA331399
Title : Structure and Interface Properties of Nanophase Ceramics: Multimillion Particle Molecular-Dynamics Simulations on Parallel Computer.
Descriptive Note : Final rept. 1 Sep 94-31 Aug 97,
Corporate Author : LOUISIANA STATE UNIV BATON ROUGE DEPT OF PHYSICS AND ASTRONOMY
Personal Author(s) : Kalia, Rajiv K. ; Vashishta, Priya
PDF Url : ADA331399
Report Date : AUG 1997
Pagination or Media Count : 25
Abstract : Large-scale molecular-dynamics (MD) simulations were performed to investigate: (1) sintering process, structural correlations, and mechanical behavior including dynamic fracture in microporous and nanophase Si3N4; (2) crack-front propagation in amorphous silica; (3) hypervelocity impact damage in diamond films and crack-front instabilities in graphite; (4) phonons in graphitic tubules; and (5) amorphization and fracture in nanowires. The simulations were carried out with highly efficient multiscale algorithms and dynamic load-balancing schemes for mapping irregular atomistic simulations on distributed-memory parallel architectures. These research activities resulted in twenty-four journal publications and thirty invited presentations. Two graduate students received dual-degrees--Ph.D. in physics and a M.S. from the Department of Computer science--during the course of this project.
Descriptors : *CERAMIC MATERIALS, *TITANIUM DIOXIDE, MECHANICAL PROPERTIES, HYPERVELOCITY IMPACT, STUDENTS, INTERFACES, SILICON DIOXIDE, STRUCTURAL PROPERTIES, GRAPHITE, AMORPHOUS MATERIALS, CORRELATION, SURFACE PROPERTIES, PERIODICALS, SINTERING, SOLID PHASES, SOLAR PHYSICS.
Subject Categories : Ceramics, Refractories and Glass
Properties of Metals and Alloys
Distribution Statement : APPROVED FOR PUBLIC RELEASE