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Mittal, R.; Chaplot, S.L.; Choudhury, N.
Argonne National Lab., IL (United States). Funding organisation: USDOE Office of Energy Research, Washington, DC (United States)1998
Argonne National Lab., IL (United States). Funding organisation: USDOE Office of Energy Research, Washington, DC (United States)1998
AbstractAbstract
[en] The silicate mineral zircon is a host material for radioactive materials in the earth's crust and is a natural candidate for usage as a nuclear waste storage material. Lattice dynamical calculations have been carried out to understand its thermodynamic properties and high pressure behavior. The calculated phonon density of states, variation of phonon frequencies with pressure and equation of state are in good agreement with the available experimental data. One of the zone center optic mode involving SiO4 rotations becomes soft at 47 GPa
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1998; 9 p; International conference on condensed matter at high pressure; Bombay (India); 11-15 Nov 1997; CONF-971158--; CONTRACT W-31109-ENG-38; ALSO AVAILABLE FROM OSTI AS DE97008663; NTIS; US GOVT. PRINTING OFFICE DEP
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Report
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Conference; Numerical Data
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