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Molecular Dynamics Simulations of Silicon Carbide, Boron Nitride and Silicon for Ceramic Matrix Composite ApplicationsA comprehensive computational molecular dynamics study is presented for crystalline α-SiC (6H, 4H, and 2H SiC), β-SiC (3C SiC), layered boron nitride, amorphous boron nitride and silicon, the constituent materials for high-temperature SiC/SiC compositions. Large-scale Atomic/Molecular Parallel Simulator software package was used. The Tersoff Potential force field was utilized to evaluate their mechanical characteristics of most of the materials, and the Reax force field was used to model silicon when the Tersoff Potential did not provide accurate results. Their mechanical behaviors were evaluated at a strain rate of 10(exp 7)/s and the results agree with the experimental data in the literature. The results are foundational for linking constituent behavior to composite performance, particularly when test data is unavailable or suspect.


Document ID
20190029067
Acquisition Source
Glenn Research Center
Document Type
Technical Memorandum (TM)
Authors
Aluko, Olanrewaju
(Michigan Univ. Flint, MI, United States)
Pineda, Evan J.
(NASA Glenn Research Center Cleveland, OH, United States)
Ricks, Trenton M.
(NASA Glenn Research Center Cleveland, OH, United States)
Arnold, Steven M.
(NASA Glenn Research Center Cleveland, OH, United States)
Date Acquired
August 14, 2019
Publication Date
August 1, 2019
Subject Category
Nonmetallic Materials
Report/Patent Number
NASA/TM-2019-220305
GRC-E-DAA-TN67575
E-19725
Funding Number(s)
WBS: 109492.02.03.01.30
Distribution Limits
Public
Copyright
Public Use Permitted.
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