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Title: Structure, mechanical properties, and thermal transport in microporous silicon nitride via parallel molecular dynamics

Abstract

Molecular dynamics simulations are performed to investigate structure, mechanical properties, and thermal transport in amorphous silicon nitride under uniform dilation. As the density is lowered, the authors observed the formation of pores below {rho} = 2.6 g/cc and at 2.0 g/cc the largest pore percolates through the entire system. Effects of porosity on elastic constants, phonons and thermal conductivity are investigated. Thermal conductivity and Young`s modulus are found to scale as {rho}{sup 1.5} and {rho}{sup 3.6}, respectively.

Authors:
; ; ;  [1]
  1. Louisiana State Univ., Baton Rouge, LA (United States)
Publication Date:
Sponsoring Org.:
USDOE, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
OSTI Identifier:
488961
Report Number(s):
CONF-951155-
ISBN 1-55899-311-8; TRN: IM9728%%152
Resource Type:
Book
Resource Relation:
Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 27 Nov - 1 Dec 1995; Other Information: PBD: 1996; Related Information: Is Part Of Materials theory, simulations, and parallel algorithms; Kaxiras, E. [ed.] [Harvard Univ., Cambridge, MA (United States)]; Joannopoulos, J. [ed.] [Massachusetts Inst. of Tech., Cambridge, MA (United States)]; Vashishta, P.; Kalia, R.K. [eds.] [Louisiana State Univ., Baton Rouge, LA (United States)]; PB: 627 p.; Materials Research Society symposium proceedings, Volume 408
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SILICON NITRIDES; MECHANICAL PROPERTIES; THERMAL CONDUCTIVITY; PORE STRUCTURE; THEORETICAL DATA; CALCULATION METHODS; PARALLEL PROCESSING

Citation Formats

Omeltchenko, A, Nakano, A, Kalia, R K, and Vashishta, P. Structure, mechanical properties, and thermal transport in microporous silicon nitride via parallel molecular dynamics. United States: N. p., 1996. Web.
Omeltchenko, A, Nakano, A, Kalia, R K, & Vashishta, P. Structure, mechanical properties, and thermal transport in microporous silicon nitride via parallel molecular dynamics. United States.
Omeltchenko, A, Nakano, A, Kalia, R K, and Vashishta, P. 1996. "Structure, mechanical properties, and thermal transport in microporous silicon nitride via parallel molecular dynamics". United States.
@article{osti_488961,
title = {Structure, mechanical properties, and thermal transport in microporous silicon nitride via parallel molecular dynamics},
author = {Omeltchenko, A and Nakano, A and Kalia, R K and Vashishta, P},
abstractNote = {Molecular dynamics simulations are performed to investigate structure, mechanical properties, and thermal transport in amorphous silicon nitride under uniform dilation. As the density is lowered, the authors observed the formation of pores below {rho} = 2.6 g/cc and at 2.0 g/cc the largest pore percolates through the entire system. Effects of porosity on elastic constants, phonons and thermal conductivity are investigated. Thermal conductivity and Young`s modulus are found to scale as {rho}{sup 1.5} and {rho}{sup 3.6}, respectively.},
doi = {},
url = {https://www.osti.gov/biblio/488961}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Dec 31 00:00:00 EST 1996},
month = {Tue Dec 31 00:00:00 EST 1996}
}

Book:
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