Equation of state of elbaite at high pressure up to 21.1 GPa and room temperature

IF 1.2 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2022-07-02 DOI:10.1007/s00269-022-01201-w

Wei Chen, Shijie Huang, Zhilin Ye, Jiamei Song, Shanrong Zhang, Mengzeng Wu, Dawei Fan, Wenge Zhou

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引用次数: 1

Abstract

The equation of the state of a natural elbaite sample has been investigated at room temperature and up to 21.1 GPa for the first time using in situ synchrotron X-ray diffraction in this study. No phase transition is observed on elbaite over the experimental pressure range. The pressure–volume data were fitted by the third-order Birch-Murnaghan equation of state (EoS) with the zero-pressure unit-cell volume V₀ = 1540.7 (6) Å³, the zero-pressure bulk modulus K_T0 = 114.7 (7) GPa, and its pressure derivative K'_T0 = 4.2 (1), while obtained V₀ = 1540.1 (4) Å³ and K_T0 = 116.4 (4) GPa when fixed K'_T0 = 4. Furthermore, the axial compressional behavior of elbaite was also fitted with a linearized third-order Birch-Murnaghan EoS, the obtained axial moduli for a-axis and c-axis are K_a0 = 201 (4) GPa and K_c0 = 60 (1) GPa, respectively. The axial compressibilities of a-axis and c-axis are β_a = 1.66 × 10^–3 GPa⁻¹ and β_c = 5.56 × 10^–3 GPa⁻¹ with an anisotropic ratio of β_a: β_c = 0.30: 1.00, which shows an intense axial compression anisotropy. The potential influencing factors on the bulk moduli and the anisotropic linear compressibilities of tourmalines were further discussed.

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elbaite在21.1 GPa高压和室温下的状态方程

本文首次利用原位同步x射线衍射技术，在室温和21.1 GPa下研究了天然elbaite样品的状态方程。在实验压力范围内，未观察到elbaite的相变。压力-体积数据采用三阶Birch-Murnaghan状态方程(EoS)拟合，零压单元格体积V0 = 1540.7 (6) Å3，零压体积模量KT0 = 114.7 (7) GPa，压力导数K'T0 = 4.2(1)，固定K'T0 = 4时，得到V0 = 1540.1 (4) Å3, KT0 = 116.4 (4) GPa。此外，利用三阶Birch-Murnaghan方程拟合了elbaite的轴向压缩行为，得到了a轴和c轴的轴向模量分别为k0 = 201 (4) GPa和k0 = 60 (1) GPa。a轴和c轴的轴向压缩性分别为βa = 1.66 × 10-3 GPa−1和βc = 5.56 × 10-3 GPa−1，各向异性比为βa: βc = 0.30: 1.00，表现出强烈的轴向压缩各向异性。进一步讨论了电气石体积模量和各向异性线性压缩率的潜在影响因素。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physics and Chemistry of Minerals 地学-材料科学：综合

CiteScore

2.90

自引率

14.30%

发文量

审稿时长

3 months

期刊介绍： Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)