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Simultaneous determination of mean pressure and deviatoric stress based on numerical tensor analysis: a case study for polycrystalline x-ray diffraction of gold enclosed in a methanol–ethanol mixture

A Yoneda1,3 and A Kubo2

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It is known that the {100} and {111} planes of cubic crystals subjected to uniaxial deviatoric stress conditions have strain responses that are free from the effect of lattice preferred orientation. By utilizing this special character, one can unambiguously and simultaneously determine the mean pressure and deviatoric stress from polycrystalline diffraction data of the cubic sample. Here we introduce a numerical tensor calculation method based on the generalized Hooke's law to simultaneously determine the hydrostatic component of the stress (mean pressure) and deviatoric stress in the sample. The feasibility of this method has been tested by examining the experimental data of the Au pressure marker enclosed in a diamond anvil cell using a pressure medium of methanol–ethanol mixture. The results demonstrated that the magnitude of the deviatoric stress is ~0.07 GPa at the mean pressure of 10.5 GPa, which is consistent with previous results of Au strength under high pressure. Our results also showed that even a small deviatoric stress (~0.07 GPa) could yield a ~0.3 GPa mean pressure error at ~10 GPa.


PACS

61.05.cp X-ray diffraction

02.60.-x Numerical approximation and analysis

61.66.Bi Elemental solids

61.50.Ks Crystallographic aspects of phase transformations; pressure effects

Subjects

Computational physics

Condensed matter: structural, mechanical & thermal

Dates

Issue 25 (28 June 2006)

Received 1 December 2005, in final form 26 April 2006

Published 8 June 2006



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