J. D. McHardy, C. Storm, M. Duff, S. Macleod, M. McMahon
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引用次数: 1
Abstract
ABSTRACT Dioptas is a widely used software package for integrating and analysing 2-dimensional diffraction images. To help interpret the integrated diffraction profiles it produces, Dioptas users can input files that parameterise a material's thermal equation of state (EoS), enabling the positions of the Bragg peaks from that material to be calculated as a function of pressure and temperature. However, care is needed to ensure that these input files correctly describe the thermal EoS of interest. Here we describe the thermal EoS model used by Dioptas and show how existing thermal EoS should be reparameterised so as to be used correctly in Dioptas. Input EoS files suitable for use with Dioptas are provided for the following commonly-used pressure calibrants and pressure transmitting media: Al, Au, Cu, Mo, Nb, Pt, Ta, hcp-Fe, MgO, NaCl-B1, NaCl-B2, KCl-B2, and Ne.
期刊介绍：
High Pressure Research is the leading journal for research in high pressure science and technology. The journal publishes original full-length papers and short research reports of new developments, as well as timely review articles. It provides an important forum for the presentation of experimental and theoretical advances in high pressure science in subjects such as:
condensed matter physics and chemistry
geophysics and planetary physics
synthesis of new materials
chemical kinetics under high pressure
industrial applications
shockwaves in condensed matter
instrumentation and techniques
the application of pressure to food / biomaterials
Theoretical papers of exceptionally high quality are also accepted.
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