Shock Compression and Phase Transitions of Magnesiowiistite （Mg,Fe）O up to Earth＇s Lowermost Mantle Conditions

We report new shock-compression data for polycrystalline （Mg,Fe）O up to 130 GPa shock pressures corresponding to Earth＇s lowermost mantle conditions. Our data together with the existing shock-wave data of （Mg, Fe）O and its end-members MgO and FeO reveal that the Hugoniot curves of （Mg,Fe）O does not change with varying FeO content for their B1 phase （NaCl-structure） in the pressure-relative-volume plane. The evidence of the volume change within 3% at around 120GPa along the Hugoniot of （Mgo.6, Feo.4）O is consistent with a structural transition from B1 phase （NaC1 cubic） to B8 phase （NiAs-type hexagonal）. Such a structural transition of （Mg, Fe）O, if indeed occurs, may in part contribute to the scattering of seismic waves and change in velocity gradient found in the lowermost mantle.     

Hugoniot curve calculation of nitromethane decomposition mixtures:A reactive force field molecular dynamics approach

We investigate the Hugoniot curve, shock–particle velocity relations, and Chapman–Jouguet conditions of the hot dense system through molecular dynamics(MD) simulations. The detailed pathways from crystal nitromethane to reacted state by shock compression are simulated. The phase transition of N2 and CO mixture is found at about 10 GPa, and the main reason is that the dissociation of the C–O bond and the formation of C–C bond start at 10.0–11.0 GPa. The unreacted state simulations of nitromethane are consistent with shock Hugoniot data. The complete pathway from unreacted to reacted state is discussed. Through chemical species analysis, we find that the C–N bond breaking is the main event of the shock-induced nitromethane decomposition.     

Measurement on Effective Shear Viscosity Coefficient of Iron under Shock Compression at 100GPa

The oscillatory damping curve of a shock front propagating in iron shocked to 103 GPa is measured by use of two-stage light-gas gun and electric pin techniques. The corresponding effective shear viscosity coefficient is deduced to be about 2000 Pa.s from Miller and Ahrens＇ formula. The result is consistent with that of Mineev＇s data at 31GPa, while it is higher by five orders than the predictions based on the static measurements at about 5 GPa and 2000K and molecular dynamic simulation up to 135-375 GPa and 4300-6000 K, and the discussions are presented.     

Effects of Shock Pressure on Transition Pressure in Zr

Measurements of free surface velocity profiles of high-purity Zr samples under shock-wave loading are performed to study the dynamic strength and phase transition parameters. The peak pressure of the compression waves is within the range from 9 to 14 GPa, and the Hugoniot elastic limit is 0.5 GPa. An anomalous structure of shock waves is observed due to the α - ω phase transition in Zr. Shock pressure has effects on transition pressure which increases with increasing compression strength, and the stronger shocks have a lower transit time.     

A Direct Comparison between Static and Dynamic Melting Temperature Determinations below 100 GPa

A preliminary experiment of sound velocity measurements for porous iron with initial average density of 6.275 g/cm^3 has been performed at pressures below 100 CPa, in order to clarify a long-standing problem that the static melting temperature Tin, mostly below 100CPa due to its technical limitations, is notably lower than the extrapolated melting data inferred from the shock wave experiments made above 200 CPa, for the sake of making a direct comparison between the experimental static and dynamic melting temperatures in the same pressure region. With the lately proposed Hugoniot sound velocity data analysis technique [Chin. Phys. Left. 22 (2005) 863], the results deduced from this Hugoniot sound velocity measurement is Tm = 3200 K at 87 CPa and Tm = 3080 K at 80 GPa, which are in good agreement with the two latest static data of Tm = 3510 K at 105 GPa and Tm = 2750 K at 58 GPa, which utilized modern improved double-side laser heating and in situ accurate x-ray diffraction techniques in experiments. It can be concluded that consensus Tm data would be obtained from static and shock wave experiments in the case that the recently improved techniques are adopted in investigations.     

First-Principles Study of Orthorhombic Perovskites MgSiO3 up to 120 GPa and Its Geophysical Implications

High-pressure behaviour of orthorhombic MgSiO3 perovskite crystal is simulated by using the density functional theory and plane-wave pseudopotentials approach up to 120 GPa pressure at zero temperature. The lattice constants and mass density of the MgSiO3 crystal as functions of pressure are computed, and the corresponding bulk modulus and bulk velocity are evaluated. Our theoretical results agree well with the high-pressure experimental data. A thermodynamic method is introduced to correct the temperature effect on the O-K first-principles results of bulk wave velocity, bulk modulus and mass density in lower mantle PIT range. Taking into account the temperature corrections, the corrected mass density, bulk modulus and bulk wave velocity of MgSiO3-perovskite are estimated from the first-principles results to be 2%, 4%, and 1% lower than the preliminary reference Earth model （PREM） profile, respectively, supporting the possibility of a pure perovskite lower mantle model.     

Reshock Response of 2A12 Aluminum Alloy at High Pressures

By means of mounting the specimen on a low-impedance buffer, reshock experiments were carried out on a 2A12 almninum alloy up to shock stresses＇ of 67.6 GPa. Reshock wave profiles from the initial shock stresses of 60.9-67.6 GPa were measured with a velocity interferometer, and it shows that the 2A12 aluminum alloy characterizes as quasi-elastic response during recompression process. The Lagrange longitudinal velocities along the reloading path from initial shock state were obtained from two shots of experiments, while the bulk velocities at corresponding shock stresses were determined via extrapolating from the public reported unloading plastic sound velocities. Combining the reshock and the release experimental results, the yield strength of 2A12 aluminum alloy at shock stress of 60.9 GPa was estimated to be about 1.7GPa.     

Analytical Method to Evaluate Hugoniot of Metallic Materials with Different Initial Temperatures

An analytical method is proposed to evaluate the Hugoniot parameters of preheated metallic materials by relating to its principal Hugoniot. Modelling calculations for 1100 Al, Cu and Ta show that the preheating lowers to a certain extent the shock impedance and the degree of lowering the shock impedance increases with increasing preheating temperature. The Hugoniots of 6061-T6 Al and TC4 preheated flyers at known preheating temperatures are evaluated, and are utilized to calculate the particle velocity and shock pressure using the impedance-match method based on the measured shock wave velocity and impact velocity reported in Z pinch-driven and three-stage gun-driven Hugoniot experiments. The presented method allows a reasonable evaluation for Hugoniot of the preheated metallic flyers.     

The Phase Transition of Eu2O3 under High Pressures

Pressure-induced phase transition of cubic Eu2 03 is studied by angle-dispersive x-ray diffraction （ADXD） up to 42.3 GPa at room temperature. A structural transformation from a cubic phase to a hexagonal phase is observed, which starts at 5.0 GPa and finishes at about 13.1 GPa. The phase transition leads to a volume collapse of 9.0% at 8.6 GPa. The hexagonal phase of Eu2 03 maintains stable up to the highest experiment pressure. After re/ease of pressure, the high-pressure phase transforms to a monoclinic phase. The pressure-volume data are fitted with the Birch-Murnaghan equation of state. The bulk moduli obtained upon compression from the fitting are 145（2） GPa and 151（6） OPa for the cubic and hexagonal phases, respectively, when their first pressure derivatives are fixed at 4.     

Raman and X-Ray Investigation of Pyrope Garnet （Mg0.76Fe0.14Ca0.10）3Al2Si3O12 under High Pressure

The compressional behavlour of natural pyrope garnet is investigated by using angle-dlspersive synchrotron radiation x-ray diffraction and Raman spectroscopy in a diamond anvil cell at room temperature. The pressureinduced phase transition does not occur under given pressure. The equation of state of pyrope garnet is determined under pressure up to 25.3 GPa. The bulk modulus KTO is 199 GPa, with its first pressure derivative K′TO fixed to 4. The Raman spectra of pyrope garnet are studied. A new Raman peak nearly at 743 cm^-1 is observed in a bending vibration of the SiO4 tetrahedra frequency range at pressure of about 28 GPa. We suggest that the new Raman peak results from the lattice distortion of the SiO4 tetrahedra. All the Raman frequencies continuously increase with the increasing pressure. The average pressure derivative of the high frequency modes （650-1000 cm^-1） is larger than that of the low frequency （smaller than 650 cm^-1）. Based on these data, the mode Grǖneisen parameters for pyrope are obtained.     

液态CO2高温高密度状态方程研究

 利用二级轻气炮作冲击加载手段，采用自己建立的低温靶，比较系统地研究了液态CO₂的冲击压缩行为。在20～60 GPa压力区获得六个新的Hugoniot数据点。根据这些实验点，采用液体统计力学理论和化学平衡方法，重新优化获得一组CO₂－CO₂，CO₂－O，CO－O作用势参数。分析表明，引起体系在25 GPa以上区域冲击软化现象的主要机制是CO₂离解反应，CO₂—→CO+O。     

高岭石的高温高压相图及其地学意义

 用阻抗匹配法和PZT压电探针技术,在100 GPa的冲击压力范围内测量了初始密度分别为1.375 g/cm³和2.001 g/cm³两种孔隙度叙永石样品的Hugoniot状态方程。根据其p_H-ρ_H线所给出的高温高压相变点,用Grüneisen状态方程计算其相变点压力所对应的温度,并结合常压下受热相变的温度值,建立了“高岭石/Al₂O₃+SiO₂+H₂O”的温度-压力相平衡图。通过该相图与线性地热线的交点推断：高岭石至少可在上地幔50 km深处作为一种含水（OH^-）矿物而稳定存在;或在俯冲板块中至少于133 km深处作为一种含水（OH^-）泥质沉积物的过渡相而存在。     

KH2PO4和(CH3NHCH2COOH)CaCl2在高压下的状态方程与相变

 在活塞圆筒式p-V关系测量装置上，研究了KH₂PO₄（KDP）和(CH₃NHCH₂COOH)CaCl₂［Tris-sarcosine calcium chloride（TSCC）］在室温下、4.5 GPa内的p-V关系。实验结果表明：KDP在2.1 GPa左右有一个相变；TSCC在0.8 GPa和3.2 GPa左右各有一个相变。本工作还给出了它们在相变前后的状态方程，以及它们的格临爱森参数γ₀、体积模量B₀和B₀的压力导数B₀'。     

Shock Induced Emission from Sapphire in High-Pressure Phase of Rh2O3 （Ⅱ） Structure

A distinct optical emission from the Rh203 （Ⅱ） structural sapphire is observed under shock compression of 125, 132, and 143 GPa. The emission intensity continuously increases with the thickness of shocked sapphire. The colour temperature is determined to be about 4000 K, which is obviously smaller than the reported value of the alpha phase alumina at the pressures below 80 GPa. The present results suggest that the structural transformation will cause an obvious change of optical property in sapphire.     

下地幔温压下(Mg,Fe)SiO3钙钛矿的相稳定性——对冲击回收样品的微观分析

 在60~110 GPa冲击压力（估算温度为2 300~4 800 K）范围内进行了5发原始样品为(Mg_0.92,Fe_0.08)SiO₃顽火辉石的冲击压缩回收实验，对回收样品进行的X射线衍射（XRD）和红外吸收光谱（IR）分析结果表明：（1）回收样品的主相均是单链状结构硅酸盐，而非钙钛矿结构；（2）回收样品中均未观察到氧化物SiO₂和(Mg_0.92,Fe_0.08)O的XRD 和IR特征谱线；（3）回收样品的XRD、IR特征谱线变得简略，并发现了与原始样品有某些不同的特征谱线，随冲击压力增加，这种变化趋于明显；（4） 通过对比冲击压力在85 GPa以下和97 GPa以上回收样品的XRD、IR特征谱线，没有观察到明显的新谱线特征出现。结合先前的冲击Hugoniot状态方程实验数据分析，可以认为：在冲击压缩过程中样品处于钙钛矿结构，在冲击卸载过程中样品发生了由钙钛矿结构向单链状结构的逆转相变；特别是，在实验的温度压力范围内，不可能发生由(Mg_0.92,Fe_0.08)SiO₃向SiO₂和(Mg_0.92,Fe_0.08)O的化学分解相变，顽火辉石的高压相——钙钛矿结构是稳定的。回收样品和原始样品的谱线差异可能对应于高压加载或卸载过程引起的某种晶格畸变，而高压加载导致钙钛矿型顽火辉石晶格畸变的可能性更大。这一结果将对下地幔矿物学模型的建立和下地幔地震波探测结果的解释提供基础物理依据。     

偏硼酸钡低温相晶体在高压下的电学性质与相变

 在金刚石压砧装置上，采用电容和电阻测量方法研究了偏硼酸钡低温相晶体（β-BaB₂O₄）在室温下和16 GPa内的电容、电阻与压力的关系。实验结果表明，它的电容在2.1、4.6、6.4、8、9.5、10.7 GPa左右都有一个突变。这说明β-BaB₂O₄内部的结构状态在这些压力下都发生了变化，可能发生了相变。还发现β-BaB₂O₄样品在较高压力下已发生了非晶化转变，而且是不可逆的，在卸压后被保留下来。这个非晶化转变的压力大约在11~12 GPa。     

顽火辉石(Mg0.92,Fe0.08)SiO3的冲击相变和高压状态方程及其地球物理意义

 用阻抗匹配法和电探针技术在48~140 GPa冲击压力范围内对化学组分为(Mg_0.92, Fe_0.08)SiO₃、初始密度为3.06 g/cm³的天然顽火辉石进行了冲击压缩实验。根据本工作13发实验数据，结合McQueen等人的数据可以看出，(Mg_0.92, Fe_0.08)SiO₃顽火辉石在冲击压缩过程中，大约经历三个明显区域：低压相区，压力范围为0~40 GPa；混合相区，压力范围为40～67 GPa；高压相区，压力范围为68～140 GPa。在低压相区，D-u关系已由McQueen给出；而在高压相区（68～140 GPa），可由本实验数据得到。由叠加原理计算得到的混合物(Mg_0.92, Fe_0.08)O(Mw)+SiO₂(St)的D-u关系及p-ρ关系曲线明显偏离了实验数据的拟合曲线，从而排除了在高达140 GPa冲击压力下，钙钛矿结构的(Mg_0.92, Fe_0.08)SiO₃发生向氧化物化学分解相变的可能性。对高压相区的实验数据进行拟合，可以得到(Mg_0.92, Fe_0.08)SiO₃钙钛矿的Grüneisen参数γ。通过三阶Birch-Murnaghan有限应变状态方程，由冲击波实验数据得到了零压等熵体积模量K_0S=259.6(9) GPa及其对压力的一阶偏导数K′_0S=4.20(5)，其ρ₀=4.19 g/cm³。(Mg_0.92, Fe_0.08)SiO₃钙钛矿冲击压缩下的密度数据与PREM密度剖面吻合很好，支持钙钛矿为主要成分的下地幔模型。     

Influences of Bi2O3/V2O5 Additives on the Microstructure and Magnetic Properties of Lithium Ferrite

Lithium ferrite materials with different concentrations of Bi2O3 and V2O5 additives are prepared by the conventional ceramic technique. The x-ray diffraction analysis proves that the additives do not affect the final crystal phase of the lithium ferrite in our testing range. Both Bi2O3 and V2O5 additives could promote densification and lower sintering temperature of the lithium ferrite. The average grain size first increases, and then gradually decreases with the Bi2O3 content. The maximal grain size appears with 0.25 wt% Bi2O3. The average grain size first increases, and then is kept almost unchanged with the V2O5 content. The maximal average grain size of the samples with V2O5 additive is much smaller than that of the samples with Bi2O3 additive. Furthermore, the V2O5 additive more easily enters the crystal lattice of the lithium ferrite than the Bi2O3 additive. These characteristics evidently affect the magnetic properties, such as saturation flux density, ratio of remanence Br to saturation flux density Bs, and coercive force of the lithium ferrite. The mechanisms involved are discussed.     

In-Situ High Pressure Raman Spectrum and Electrical Property of PbMoO4

In-situ high pressure Raman spectra and electrical conductivity measurements of scheelite-structure compound PbMoO4 are presented. The Raman spectrum of PbMoO4 is determined up to 26.5 GPa on a powdered sample in a diamond anvil cell （DAC） under nonhydrostatic conditions. The PbMoO4 gradully experiences the trans- formation from the crystal to amorphous between 9.2 and 12.5 GPa. The crystal to amorphous transition may be due to the mechanical deformation and the crystalographic transformation. Furthermore, the electrical conductivity of PbMoO4 is in situ measured accurately using a microcircuit fabricated on a DAC based on the van der Pauw method. The results show that the electrical conductivity of PbMoO4 increases with increases of pressure and temperature. At 26.5 GPa, the electrical conductivity value of PbMoO4 at 295K is 1.93 - 10-4 S/cm, while it raises by one order of magnitude at 430K and reached 3.33 - 10-3 S/cm. However, at 430K, compared with the electrical conductivity value of PbMoO4 at 26.5 GPa, it drops by about two order magnitude at 7.4 GPa and achieves 2.81 × 10^-5 S/cm. This indicates that the effect of pressure on the electrical conductivity of PbMoO4 is more obvious than that of temperature.