Molecular dynamics simulation of alkali borate glass using coordination dependent potential

Book · Wed Dec 31 00:00:00 EST 1997

OSTI ID:580889

Park, B; Cormack, A N ^[1]

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1. New York State Coll. of Ceramics at Alfred Univ., NY (United States)

The structure of sodium borate glass was investigated by molecular dynamics simulation using coordination dependent potential model. The simulated alkali borate glass consists of basic units, BO{sub 3} triangle, BO{sub 4} tetrahedra and structural groups such as boroxol ring and triborate units. The coordination of boron is converted from 3 to 4 by adding alkali oxide.

• OSTI ID: 580889
• Report Number(s): CONF-961202-; ISBN 1-55899-359-2; TRN: IM9807%%77
• Resource Relation: Conference: 1996 Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 2-6 Dec 1996; Other Information: PBD: 1997; Related Information: Is Part Of Structure and dynamics of glasses and glass formers; Angell, C.A. [ed.] [Arizona State Univ., Tempe, AZ (United States)]; Ngai, K.L. [ed.] [Naval Research Lab., Washington, DC (United States)]; Kieffer, J. [ed.] [Univ. of Illinois, Urbana, IL (United States)]; Egami, T. [ed.] [Univ. of Pennsylvania, Philadelphia, PA (United States)]; Nienhaus, G.U. [ed.] [Univ. of Ulm (Germany)]; PB: 530 p.; Materials Research Society symposium proceedings, Volume 455
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
GLASS
CRYSTAL STRUCTURE
BORATES
MOLECULAR DYNAMICS METHOD
THEORETICAL DATA
AMORPHOUS STATE
EXPERIMENTAL DATA
SODIUM COMPOUNDS