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

Book · Tue Dec 31 00:00:00 EST 1996

OSTI ID:488961

Omeltchenko, A; Nakano, A; Kalia, R K; Vashishta, P ^[1]

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1. Louisiana State Univ., Baton Rouge, LA (United States)

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.

• Sponsoring Organization: USDOE, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
• OSTI ID: 488961
• Report Number(s): CONF-951155-; ISBN 1-55899-311-8; TRN: IM9728%%152
• 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

Related Subjects

36 MATERIALS SCIENCE
SILICON NITRIDES
MECHANICAL PROPERTIES
THERMAL CONDUCTIVITY
PORE STRUCTURE
THEORETICAL DATA
CALCULATION METHODS
PARALLEL PROCESSING