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On the creation of thermal equations of state for use in Dioptas 光学中热状态方程的建立
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-01-02 DOI: 10.1080/08957959.2023.2187294
J. D. McHardy, C. Storm, M. Duff, S. Macleod, M. McMahon
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.
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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引用次数: 1
Thermal conductivity of platinum and periclase under extreme conditions of pressure and temperature 铂和方镁石在极端压力和温度条件下的热导率
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-01-02 DOI: 10.1080/08957959.2023.2193892
Akira Hasegawa, K. Ohta, T. Yagi, Kei Hirose
ABSTRACT We have measured the thermal diffusivity and conductivity of platinum and MgO periclase at high pressures (P) and high temperatures (T) by combining the pulsed light heating thermoreflectance technique with a laser-heated diamond anvil cell. The obtained thermal conductivity of platinum shows positive pressure and temperature dependences, reaching about 210 W/m/K at the highest P–T condition of 125 GPa and 1850 K. The thermal conductivity of periclase was determined up to 140 GPa and 1950 K, corresponding to the Earth's lowermost mantle, where the conductivity was about 90 W/m/K. Our measurements allow us to test models for the combined P–T dependence of the thermal conductivity of both metals and insulating materials up to Mbar pressures and thousands of kelvins.
利用脉冲光加热热反射技术与激光加热金刚石砧细胞相结合,测量了高压(P)和高温(T)下铂和MgO方长石的热扩散率和电导率。所得的铂的导热系数与温度和压力呈正相关关系,在最高P-T条件为125 GPa和1850 K时,导热系数可达210 W/m/K左右。测得方长石的热导率高达140 GPa和1950 K,对应于地球最底地幔,其热导率约为90 W/m/K。我们的测量使我们能够测试金属和绝缘材料的导热性在Mbar压力和数千开尔文下的组合P-T依赖性模型。
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引用次数: 1
Effect of pressure of vanadium nitride using XRD and DFT 用XRD和DFT分析了压力对氮化钒的影响
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-01-02 DOI: 10.1080/08957959.2023.2191195
L. Xiong, Lujun Huang, Dujin Liu, Yingchun Ding, Junran Zhang
ABSTRACT In this study, synchrotron radiation X-ray diffraction is used to study the equation of state of vanadium nitride in a diamond anvil cell at room temperature. Experimental results reveal the high stability of the cubic structure up to 76 GPa pressure. In addition, the bulk modulus of vanadium nitride derived from XRD data is K 0 = 328.4(2.8) GPa with K 0′ = 5.86(0.14). Finally, the high pressure compression behavior is investigated to 80 GPa using density functional theory of first-principle calculations, and the obtained bulk elastic modulus is 316 GPa. Vanadium nitride is not magnetic in the whole pressure range and is metallic. Highlights • We have investigated the equation of state of VN under high pressure with silicone oil as the pressure transmitting medium to 76 GPa. • It was found that the face-centred cubic structure of VN maintains the maximum pressure of 76 GPa. • We have carried out first-principles calculations and obtained the equation of state, band structure, and electronic density of state of VN to 80 GPa.
摘要本研究采用同步辐射X射线衍射方法研究了氮化钒在金刚石砧座室中的室温状态方程。实验结果表明,立方结构的稳定性高达76 GPa压力。此外,根据XRD数据得出氮化钒的体积模量为K 0 = 328.4(2.8) K为0′的GPa = 5.86(0.14)。最后,研究了高压压缩行为至80 GPa采用密度泛函第一性原理理论计算,得到的体积弹性模量为316 GPa。氮化钒在整个压力范围内没有磁性,并且是金属的。亮点•我们研究了VN在高压下的状态方程,其中硅油是76的压力传递介质 GPa.•研究发现,VN的面心立方结构保持了76的最大压力 GPa.•我们进行了第一性原理计算,得到了VN到80的态方程、能带结构和电子态密度 GPa。
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引用次数: 0
New uniaxial pressure cell used in a study of magnetization of the Heusler Ni2MnSn-based alloy 新型单轴压力电池用于Heusler ni2mnsn基合金的磁化研究
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-01-02 DOI: 10.1080/08957959.2023.2171792
J. Kamarád, J. Kaštil, M. Míšek, Z. Arnold
ABSTRACT A versatile type of non-magnetic uniaxial pressure cell has been designed for magnetic measurements in SQUID magnetometer. An advanced technology of machining of miniature parts of the cell was used to make new type of an internal squeezer module, where a sample can be compressed by force up to 3 kN in direction perpendicular to external magnetic field. A correct operation of the cell was tested by study of magnetic behaviour of the Heusler off-stoichiometric Ni2MnSn alloy under uniaxial compression. An unexpected significant difference between reversible effects of uniaxial compression on magnetization of the austenite and martensite phases of the alloy is discussed. The uniaxial compression effects are compared with the effects of hydrostatic pressure on a coupling between magnetization and structural transformation of the alloy.
摘要:设计了一种多用途的非磁性单轴压力传感器,用于SQUID磁强计的磁性测量。采用先进的微型部件加工技术,制作了一种新型的内挤压模组,该内挤压模组可在垂直于外磁场的方向上对样品施加3 kN的力。通过研究Heusler非化学计量Ni2MnSn合金在单轴压缩下的磁性行为,验证了电池的正确运行。讨论了单轴压缩对合金奥氏体和马氏体磁化的可逆影响之间意想不到的显著差异。将单轴压缩效应与静水压力对合金磁化与组织转变耦合的影响进行了比较。
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引用次数: 0
SonicPy: a suite of programs for ultrasound pulse-echo data acquisition and analysis SonicPy:一套用于超声脉冲回波数据采集和分析的程序
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-01-02 DOI: 10.1080/08957959.2023.2182209
R. Hrubiak, B. Sturtevant
ABSTRACT Sound speed and elastic constants measurements in solids and liquids are commonly performed using the ultrasound pulse-echo technique. Recent advances have expanded the use of this technique at numerous high pressure synchrotron beamlines and offline laboratories. However, the increased experimental throughput has revealed many limitations in existing software for handling the rapid measurement and the subsequent data-reduction. We report the development of a collection of computer programs for sound speed measurements using the ultrasound pulse-echo technique, compatible with stepped multi-frequency, as well as broadband-pulse, couplant-corrected methods. The programs provide a highly interactive graphical interface, enable efficient measurement, exploration and near real-time analysis of the ultrasound data, and contain features useful for working with samples under high pressure and/or high temperature. The included analysis programs can alleviate the time required for data reduction from hours to less than a minute, allowing users to make timely and informed decisions regarding the appropriate experimental parameters.
固体和液体中的声速和弹性常数测量通常使用超声脉冲回波技术进行。最近的进展已经扩大了这种技术在许多高压同步加速器光束线和离线实验室的使用。然而,实验吞吐量的增加暴露了现有软件在处理快速测量和随后的数据缩减方面的许多局限性。我们报告了一套使用超声脉冲回波技术进行声速测量的计算机程序的开发,该技术与步进多频、宽带脉冲、耦合校正方法兼容。该程序提供了一个高度交互的图形界面,能够对超声数据进行有效的测量、探索和近实时分析,并包含在高压和/或高温下处理样品的有用功能。所包含的分析程序可以将数据减少所需的时间从数小时减少到不到一分钟,允许用户及时做出有关适当实验参数的明智决定。
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引用次数: 0
Melting diamond in the diamond cell by laser-flash heating 用激光闪光加热在金刚石槽中熔化金刚石
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-12-27 DOI: 10.1080/08957959.2022.2160246
L. Yang, A. Karandikar, T. Shiell, B. A. Cook, S. Wong, M. Field, J. Bradby, B. Haberl, D. G. McCulloch, R. Boehler
ABSTRACT The phase behavior of carbon at high pressure and the search for carbon structures denser than diamond has been explored for decades showing large discrepancies, with many fundamental questions remaining unresolved. Here we show evidence of melting above the graphite-diamond-liquid (GDL) triple point (∼13 GPa, 4000 K) up to 50 GPa on samples recovered from single flash-heating events using spectroscopic and electron microscopic methods. The results show that for all pressures, diamond melts below the triple point temperature contradicting previous studies, most of which predict a positive slope of the melting curve.
摘要几十年来,人们一直在探索碳在高压下的相行为和寻找比金刚石更致密的碳结构,但发现了很大的差异,许多基本问题仍未解决。在这里,我们展示了使用光谱和电子显微镜方法从单次闪光加热事件中回收的样品在石墨-金刚石液体(GDL)三点(~13GPa,4000K)以上高达50GPa的温度下熔化的证据。结果表明,对于所有压力,金刚石在三点温度以下熔化,这与之前的研究相矛盾,其中大多数研究预测了熔化曲线的正斜率。
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引用次数: 3
Development of an explicit pressure explicit saturation (EPES) method for modelling dissociation processes of methane hydrate 用于甲烷水合物离解过程建模的显式压力显式饱和(EPES)方法的发展
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-12-27 DOI: 10.1080/08957959.2022.2160247
G. Luzi, Benedict Prah, S. Loekman, B. Gatternig, Antonio Delgado
ABSTRACT Methane gas is a fossil clean fuel since the products of the combustion are only carbon hydrate and water. Methane hydrate is a potential source of methane gas. This ice-like methane source can be found in deep seafloors and permafrost regions, characterized by high pressure and low-temperature conditions. In this work, we simulate the process of methane hydrate dissociation by depressurization in a cylindrical sandstone core by means of a two-dimensional axis-symmetric model, focusing on the transport phenomena involved in the process. Our simulations indicate a first rapid dissociation phase due to depressurization itself, and a longer subsequent one due to the thermal exchange with the external environment. Our numerical results match well with experimental data found in the literature, without showing any significant pressure or temperature delay among different sections compared to other numerical studies.
甲烷气体是一种化石清洁燃料,其燃烧产物仅为碳水合物和水。甲烷水合物是甲烷气体的潜在来源。这种冰状的甲烷源可以在深海海底和永久冻土层中发现,其特点是高压和低温。在这项工作中,我们通过二维轴对称模型模拟了圆柱形砂岩岩心中甲烷水合物减压解离的过程,重点研究了该过程中涉及的输运现象。我们的模拟表明,由于减压本身,第一个快速解离阶段,由于与外部环境的热交换,随后的一个更长的解离阶段。我们的数值结果与文献中发现的实验数据吻合良好,与其他数值研究相比,不同截面之间没有明显的压力或温度延迟。
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引用次数: 0
Probing the partitioning behaviour of Xe using in situ X-ray synchrotron techniques at high P–T conditions 在高P-T条件下使用原位x射线同步加速器探测Xe的分配行为
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-02 DOI: 10.1080/08957959.2022.2144290
Qi Chen, C. Sanloup, H. Bureau, Igor Rzeplinski, K. Glazyrin, R. Farla
ABSTRACT Understanding crystal/melt xenon (Xe) partitioning at depth is key to properly trace planetary processes using Xe isotopes. Partition coefficients measured on experimental samples recovered at room pressure (P) and temperature (T) span 6 orders of magnitude, potentially due to Xe exsolution from crystals upon quenching. We chose two in situ synchrotron X-ray methods to investigate Xe crystal/melt partitioning under high P and T up to 3 GPa and 1050°C using (1) resistive-heated diamond anvil cell with angle-dispersive diffraction and X-ray fluorescence, and (2) a new protocol using large volume press with energy-dispersive diffraction set-up. Results from both methods are consistent, and Xe is found to be compatible at depth, suggesting the continental crust could be a Xe-rich reservoir. This new protocol advances research to probe geological systems at the higher P–T conditions accessible with large volume press while maintaining homogeneous T throughout the sample.
摘要了解晶体/熔体氙(Xe)在深度上的分配是使用Xe同位素正确追踪行星过程的关键。在室温(P)和室温(T)下回收的实验样品上测量的分配系数跨度为6个数量级,这可能是由于Xe在淬火时从晶体中溶出。我们选择了两种原位同步加速器X射线方法来研究Xe晶体/熔体在高P和T下的分配,最高可达3 GPa和1050°C,使用(1)具有角度色散衍射和X射线荧光的电阻加热金刚石砧座电池,以及(2)使用具有能量色散衍射装置的大体积压力机的新方案。两种方法的结果是一致的,Xe在深度上是相容的,这表明大陆地壳可能是一个富含Xe的储层。这一新方案推进了在大体积压力机可达到的较高P–T条件下探测地质系统的研究,同时在整个样品中保持均匀的T。
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引用次数: 0
Investigation of null-matrix alloy gaskets for a diamond-anvil-cell on high pressure neutron diffraction experiments 高压中子衍射实验研究金刚石砧池用零基合金衬垫
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-02 DOI: 10.1080/08957959.2022.2144289
S. Machida, S. Nakano
ABSTRACT To investigate a gasket of null-matrix alloys suitable for high pressure neutron diffraction measurements using diamond-anvil-cells (DACs), high pressure experiments were conducted with TiZr and Mn-Cu-Ni-Fe (M2052) alloys as gaskets. The M2052 gasket was retained at least up to 20 and 43 GPa using the flat surface anvils of 1.5 and 1.0 mm culet sizes, respectively, whereas the TiZr gasket was broken at a range of 15–20 GPa with a 1.5 mm culet size. Furthermore, the M2052 gasket behaved as a null-matrix alloy in high pressure neutron diffraction measurements, and we obtained a satisfactory diffraction profile with no diffraction peaks from the gasket. This finding of the M2052 gasket will lead to a more accurate structural analysis in neutron experiments using the DAC.
摘要:为了研究一种适用于金刚石砧池(dac)高压中子衍射测量的零基合金衬垫,采用TiZr和Mn-Cu-Ni-Fe (M2052)合金作为衬垫进行了高压实验。M2052垫片分别使用1.5 mm和1.0 mm凹槽尺寸的平面顶砧保持至少20和43 GPa,而TiZr垫片在1.5 mm凹槽尺寸的范围内保持15-20 GPa。此外,在高压中子衍射测量中,M2052衬垫表现为零基体合金,并获得了令人满意的衍射曲线,没有衍射峰。M2052衬垫的这一发现将导致在中子实验中使用DAC进行更准确的结构分析。
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引用次数: 0
In-situ X-ray diffraction and radiography of iron–silicate–water–sulfur system simulating behaviors of light elements during early Earth’s core–mantle segregation 模拟早期地核-地幔分离过程中轻元素行为的铁-硅酸盐-水-硫系统的原位X射线衍射和射线照相
IF 2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-02 DOI: 10.1080/08957959.2022.2148207
Riko Iizuka-Oku, H. Gotou, A. Suzuki, H. Kagi
ABSTRACT The Earth’s iron-rich core contains light elements. Studying the interaction of multiple light elements with iron and silicates during core–mantle segregation process in early Earth evolution has become important. In-situ X-ray diffraction and imaging observations of the iron–silicate–water–sulfur system at 5–10 GPa, up to approximately 1900°C, were used to elucidate sequential reactions: phase transformation and hydrogenation of iron, and formation of iron sulfide and silicates. The newly constructed X-ray imaging system achieved spatial resolution of approx. 10 μm for this study to show iron blob formation and motion. Sulfur distorted the iron blob shape and affected blob growth during heating by reducing the interfacial energy between molten iron and silicates. Light elements in the molten iron and the remaining silicate grains affected core–mantle segregation in the primitive Earth as temperatures increased. Carbon and silicon were incorporated into liquid Fe during later processes at higher temperatures.
地球富含铁的地核含有轻元素。研究地球演化早期核幔分离过程中多种轻元素与铁、硅酸盐的相互作用具有重要意义。在5-10 GPa,高达约1900°C的温度下,对铁-硅酸盐-水-硫体系进行了原位x射线衍射和成像观察,以阐明顺序反应:铁的相变和氢化,以及硫化铁和硅酸盐的形成。新建的x射线成像系统的空间分辨率达到了约。10 μm为本研究显示铁团的形成和运动。在加热过程中,硫通过降低铁液与硅酸盐之间的界面能,使铁团的形状发生变形,影响铁团的生长。随着温度的升高,熔融铁中的轻元素和剩余的硅酸盐颗粒影响了原始地球的核幔分离。在随后的高温处理过程中,碳和硅被掺入液态铁中。
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引用次数: 0
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High Pressure Research
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