光学中热状态方程的建立

IF 1.2 4区物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY

High Pressure Research Pub Date : 2023-01-02 DOI:10.1080/08957959.2023.2187294

J. D. McHardy, C. Storm, M. Duff, S. Macleod, M. McMahon

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引用次数: 1

摘要

摘要Diopatas是一个广泛使用的用于集成和分析二维衍射图像的软件包。为了帮助解释它产生的集成衍射轮廓，Diopatas用户可以输入文件，将材料的热状态方程（EoS）参数化，从而能够将该材料的布拉格峰的位置计算为压力和温度的函数。然而，需要注意确保这些输入文件正确描述感兴趣的热EoS。在这里，我们描述了Diopatas使用的热EoS模型，并展示了如何重新表征现有的热EoS，以便在Diopatas中正确使用。为以下常用的压力校准器和压力传输介质提供了适用于Dioptas的输入EoS文件：Al、Au、Cu、Mo、Nb、Pt、Ta、hcp-Fe、MgO、NaCl-B1、NaCl-B 2、KCl-B2和Ne。

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On the creation of thermal equations of state for use in Dioptas

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.

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来源期刊

High Pressure Research 物理-物理：综合

CiteScore

3.80

自引率

5.00%

发文量

审稿时长

2 months

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.