Journal of Applied Crystallography

Volume 41, Part 5 (October 2008)

research papers

 

Thermoelastic properties of magnesiowüstite, (Mg_1-xFe_x)O: determination of the Anderson-Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures

I. G. Wood, L. Vocadlo, D. P. Dobson, G. D. Price, A. D. Fortes, F. J. Cooper, J. W. Neale, A. M. Walker, W. G. Marshall, M. G. Tucker, D. J. Francis, H. J. Stone and C. A. McCammon

Abstract: The ability to perform neutron diffraction studies at simultaneous high pressures and high temperatures is a relatively recent development. The suitability of this technique for determining P-V-T equations of state has been investigated by measuring the lattice parameters of Mg_1-xFe_xO (x = 0.2, 0.3, 0.4), in the range P < 10.3 GPa and 300 < T < 986 K, by time-of-flight neutron powder diffraction. Pressures were determined using metallic Fe as a marker and temperatures were measured by neutron absorption resonance radiography. Within the resolution of the experiment, no evidence was found for any change in the temperature derivative of the isothermal incompressibility, K_T/T, with composition. By assuming that the equation-of-state parameters either varied linearly or were invariant with composition, the 60 measured state points were fitted simultaneously to a P-V-T-x equation of state, leading to values of K_T/T = -0.024 (9) GPa K^-1 and of the isothermal Anderson-Grüneisen parameter _T = 4.0 (16) at 300 K. Two designs of simultaneous high-P/T cell were employed during this study. It appears that, by virtue of its extended pressure range, a design using toroidal gaskets is more suitable for equation-of-state studies than is the system described by Le Godec, Dove, Francis, Kohn, Marshall, Pawley, Price, Redfern, Rhodes, Ross, Schofield, Schooneveld, Syfosse, Tucker & Welch [Mineral. Mag. (2001), 65, 737-748].

Keywords: time-of-flight neutron powder diffraction; high pressure; high temperature; Anderson-Grüneisen parameter; thermoelasticity; magnesiowüstite.

	Rietveld powder data file (CIF format) (154.8 kbytes) [ doi:10.1107/S0021889808025417/ks5172PRL42703_p_01sup2.rtv ] Contains datablock PRL42703_p_01
	Rietveld powder data file (CIF format) (151.9 kbytes) [ doi:10.1107/S0021889808025417/ks5172PRL47388_ZRO2_p_01sup4.rtv ] Contains datablock PRL47388_ZRO2_p_01

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