八面体位化学对黑云母弹性性质的影响

IF 1.2 4区 地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2023-02-05 DOI:10.1007/s00269-022-01230-5
Dillon F. Hanlon, G. Todd Andrews, Roger A. Mason
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引用次数: 0

摘要

采用布里渊光散射光谱法,结合电子探针显微分析获得的详细成分信息,研究了八面体位化学对天然黑云母晶体弹性性能的影响。利用著名的布里渊方程,分别利用贝克线测试得到的折射率和声子频率以及光谱峰位置,得到了每个晶体在ac和bc晶体平面上的弹性波速。一般来说,这些速度随着铁含量的降低而增加,接近低铁浓度时白云母的速度。通过将速度随传播方向和弹性常数的解析表达式拟合到相应的实验数据中,得到了每个晶体完全单斜对称的13个弹性常数中的12个,其余的常数在六方对称近似下估计。弹性常数\(C_{11}\)、\(C_{22}\)和\(C_{66}\)与白云母相当,且随铁浓度变化不大,这是由于层内的强结合。相反,几乎所有的剩余常数都显示出明显的铁含量依赖性,这可能是层间键合弱的结果。随着铁含量的增加,晶体的弹性稳定性急剧下降;随着铁含量的减少,晶体基解理面内的弹性各向异性也出现了类似的现象。所有测量的弹性性质对铁含量的系统性依赖表明,黑云母的弹性是八面体位化学的函数,并提供了一种方法来估计大多数天然黑云母成分的弹性常数和相对弹性稳定性,如果铁或镁的浓度是已知的。此外,基于密度泛函理论的第一性原理计算得到的贫铁(富镁)黑云母的弹性常数与云母的弹性常数吻合较好,表明后者可用于预测黑云母的弹性性质。
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Influence of octahedral site chemistry on the elastic properties of biotite

Brillouin light scattering spectroscopy was used along with detailed composition information obtained from electron probe microanalysis to study the influence of octahedral site chemistry on the elastic properties of natural biotite crystals. Elastic wave velocities for a range of directions in the ac and bc crystallographic planes were obtained for each crystal by application of the well-known Brillouin equation with refractive indices and phonon frequencies obtained from the Becke line test and spectral peak positions, respectively. In general, these velocities increase with decreasing iron content, approaching those of muscovite at low iron concentrations. Twelve of thirteen elastic constants for the full monoclinic symmetry were obtained for each crystal by fitting analytic expressions for the velocities as functions of propagation direction and elastic constants to corresponding experimental data, while the remaining constant was estimated under the approximation of hexagonal symmetry. Elastic constants \(C_{11}\), \(C_{22}\), and \(C_{66}\) are comparable to those of muscovite and show little change with iron concentration due to the strong bonding within layers. In contrast, nearly all of the remaining constants show a pronounced dependence on iron content, a probable consequence of the weak interlayer bonding. Similar behaviour is displayed by the elastic stability, which exhibits a dramatic decrease with increasing iron content, and by the elastic anisotropy within the basal cleavage plane, which decreases as the amount of iron in the crystal is reduced. This systematic dependence on iron content of all measured elastic properties indicates that the elasticity of biotite is a function of octahedral site chemistry and provides a means to estimate the elastic constants and relative elastic stability of most natural biotite compositions if the iron or, equivalently, magnesium, concentration is known. Moreover, the good agreement between the elastic constants of Fe-poor (Mg-rich) biotite and those of phlogopite obtained from first-principles calculation based on density functional theory indicates that the latter approach may be of use in predicting the elastic properties of biotites.

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来源期刊
Physics and Chemistry of Minerals
Physics and Chemistry of Minerals 地学-材料科学:综合
CiteScore
2.90
自引率
14.30%
发文量
43
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)
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