Distribution of rings and intermediate range correlations in silica glass under pressure -- A molecular dynamics study

Book · Mon Dec 30 23:00:00 EST 1996

OSTI ID:488982

Rino, J P ^[1]; Gutierrez, G ^[2]; Ebbsjoe, I ^[3]; Kalia, R K; Vashishta, P ^[4]

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1. Univ. Federal de Sao Carlos (Brazil)
2. Univ. Catolica de Chile, Santiago (Chile). Facultad de Fisica
3. Studsvik Neutron Research Lab., Nykoeping (Sweden)
4. Louisiana State Univ., Baton Rouge, LA (United States)

Using the molecular dynamics (MD) method, the authors have studied the effect of pressure on the distribution of rings and their relationship to intermediate range correlations manifested as the first sharp diffraction peak (FSDP) for SiO{sub 2} glass. A systematic analysis of the modifications observed in the FSDP for densities ranging from 2.0 to 3.2 g/cm{sup 3} and temperatures from 0 to 1500 K is reported. The decrease in the height of the FSDP with increasing density is found to be proportional to the decrease in the number of 6-fold rings. For the density and temperature ranges studied in SiO{sub 2} glass, the full width at half maximum (FWHM) of the FSDP remains unchanged.

• Sponsoring Organization: Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP), SP (Brazil); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Sao Paulo, SP (Brazil); USDOE, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
• DOE Contract Number: FG05-92ER45477
• OSTI ID: 488982
• Report Number(s): CONF-951155--; ISBN 1-55899-311-8
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL STRUCTURE
GLASS
ORDER PARAMETERS
PRESSURE DEPENDENCE
SILICA
STRUCTURE FACTORS
THEORETICAL DATA