In their comment, Desjarlais et al. claim that a small temperature drop occurs after isentropic compression of fluid deuterium through the first-order insulator-metal transition. We show that their calculations do not correspond to the experimental thermodynamic path, and that thermodynamic integrations with parameters from first-principles calculations produce results in agreement with our original estimate of the temperature drop.

We describe a new integrated optical spectroscopy facility for high-pressure research in materials research and mineral science located at the beamline BL01B of the Shanghai Synchrotron Radiation Facility. The system combines infrared synchrotron Fourier-Transform spectroscopy with broadband laser visible/near infrared and conventional laser Raman spectroscopy in one instrument. The system utilizes a custom-built microscope optics designed for a variety of diamond anvil cell experiments, which include low-temperature and ultrahigh pressure studies. We demonstrate the capabilities of the facility for studies of a variety of high-pressure phenomena such as phase and electronic transitions and chemical transformations.

The phase diagrams of Na2CO3 and K2CO3 have been determined with multianvil (MA) and diamond anvil cell (DAC) techniques. In MA experiments with heating, gamma-Na2CO3 is stable up to 12 GPa and above this pressure transforms to P6(3)/mcm-phase. At 26 GPa, Na2CO3-P6(3)/mcm transforms to the new phase with a diffraction pattern similar to that of the theoretically predicted Na2CO3-P21/m. On cold compression in DAC experiments, gamma-Na2CO3 is stable up to the maximum pressure reached of 25 GPa. K2CO3 shows a more complex sequence of phase transitions. Unlike gamma-Na2CO3, gamma-K2CO3 has a narrow stability field. At 3 GPa, K2CO3 presents in the form of the new phase, called K2CO3-III, which transforms into another new phase, K2CO3-IV, above 9 GPa. In the pressure range of 9-15 GPa, another new phase or the mixture of phases III and IV is observed. The diffraction pattern of K2CO3-IV has similarities with that of the theoretically predicted K2CO3-P2(1)/m and most of the diffraction peaks can be indexed with this structure. Water has a dramatic effect on the phase transitions of K2CO3. Reconstruction of the diffraction pattern of gamma-K2CO3 is observed at pressures of 0.5-3.1 GPa if the DAC is loaded on the air.

Alternative technologies are required in order to meet a worldwide demand for clean non-polluting energy sources. Thermoelectric generators, which generate electricity from heat in a compact and reliable manner, are potential devices for waste heat recovery. However, thermoelectric performance, as encapsulated by the figure of merit ZT, has remained at around 1.0 at room temperature, which has limited practical applications. Here, we study the effects of pressure on ZT in Cr-doped PbSe, which has a maximum ZT of less than 1.0 at a temperature of about 700 K. By applying external pressure using a diamond anvil cell, we obtained a room-temperature ZT value of about 1.7. From thermoelectric, magnetoresistance and Raman measurements, as well as density functional theory calculations, a pressure-driven topological phase transition is found to enable this enhancement. Experiments also support the appearance of a topological crystalline insulator after the transition. These findings point to the possibility of using compression to increase not just ZT in existing thermoelectric materials, but also the possibility of realizing topological crystalline insulators.

We performed Raman and infrared (IR) spectroscopy measurements of hydrogen at 295 K up to 280 GPa at an IR synchrotron facility of the Shanghai Synchrotron Radiation Facility (SSRF). To reach the highest pressure, hydrogen was loaded into toroidal diamond anvils with 30-mu m central culet. The intermolecular coupling has been determined by concomitant measurements of the IR and Raman vibron modes. In phase IV, we find that the intermolecular coupling is much stronger in the graphenelike layer (G layer) of elongated molecules compared to the Br2-like layer (B layer) of shortened molecules and it increases with pressure much faster in the G layer compared to the B layer. These heterogeneous lattice dynamical properties are unique features of highly fluxional hydrogen phase IV.

The fate of subducted carbonates in the lower mantle and at the core-mantle boundary was modelled via experiments in the MgCO3-Fe-0 system at 70-150 GPa and 800-2600 K in a laser-heated diamond anvil cell. Using in situ synchrotron X-ray diffraction and ex situ transmission electron microscopy we show that the reduction of Mg-carbonate can be exemplified by: 6MgCO(3) + 19Fe = 8FeO +10(Mg0.6Fe0.4)O + Fe7C3 + 3C. The presented results suggest that the interaction of carbonates with Fe-0 or Fe-0-bearing rocks can produce Fe-carbide and diamond, which can accumulate in the D '' region, depending on its carbon to Fe ratio. Due to the sluggish kinetics of the transformation, diamond can remain metastable at the core-mantle boundary (CMB) unless it is in a direct contact with Fe-metal. In addition, it can be remobilized by redox melting accompanying the generation of mantle plumes. (C) 2019, China University of Geosciences (Beijing) and Peking University. Production and hosting by Elsevier B.V.

The presence of H-2 and H2O in planetary interiors prompts the need for fundamental studies on these compounds under corresponding conditions. Here, we summarize data on H-2 properties In aqueous systems under conditions of high temperature and pressure. We explain how to measure important H-2 fugacities in hydrothermal systems. We present available experimental data and thermodynamic models for H-2 solubility and vapor-liquid partitioning under hydrothermal conditions. In addition, we introduce the fascinating world of H-2-H2O clathrate hydrates under extreme temperatures and pressures. The properties of the H-2-H2O system are well established below the critical point of water (374 degrees C and 22.06 MPa), but far less is known under higher temperatures and pressures, or the effect of salt.

The heat flux across the core-mantle boundary (Q(CMB)) is the key parameter to understand the Earth's thermal history and evolution. Mineralogical constraints of the Q(CMB) require deciphering contributions of the lattice and radiative components to the thermal conductivity at high pressure and temperature in lower mantle phases with depth-dependent composition. Here we determine the radiative conductivity (k(rad)) of a realistic lower mantle (pyrolite) in situusing an ultra-bright light probe and fast time-resolved spectroscopic techniques in laser-heated diamond anvil cells. We find that the mantle opacity increases critically upon heating to similar to 3000 K at 40-135 GPa, resulting in an unexpectedly low radiative conductivity decreasing with depth from similar to 0.8 W/m/K at 1000 km to similar to 0.35 W/m/K at the CMB, the latter being similar to 30 times smaller than the estimated lattice thermal conductivity at such conditions. Thus, radiative heat transport is blocked due to an increased optical absorption in the hot lower mantle resulting in a moderate CMB heat flow of similar to 8.5 TW,on the lower end of previous Q(CMB) estimates based on the mantle and core dynamics. This moderate rate of core cooling implies an inner core age of about 1 Gy and is compatible with both thermally- and compositionally-driven ancient geodynamo. (C) 2020 Elsevier B.V. All rights reserved.

Both the vibrational and electrical transport properties of 2H-TaS2 have been investigated at high pressures and low temperatures. The collapse of the charge-density-wave order at pressures above 7.3 GPa has been verified by Raman scattering, resistivity, and Hall coefficient measurements. For pressures above the critical pressure of 7.3 GPa, the superconducting transition temperature continues to increase and reaches its maximum value at 11.5 GPa, suggesting that it is not a simple competition between the charge-density-wave order and superconductivity. Through the standard resistivity fit in the normal state, the decline of the superconducting transition temperature with increasing pressure up to 47.0 GPa is due to the decrease of interaction strength and the increase of the impurity scattering. These results are very important in understanding the superconducting mechanism of transition-metal dichalcogenides.

The effect of pressure on thermal expansion of solid CH4 is calculated for the low-temperature region where the contributions from phonons and librons can be neglected and only the rotational tunnelling modes are essential. The effect of pressure is shown to increase the magnitude of the peaks of the negative thermal expansion and shifts the positions of the peaks to the low-temperature region, which goes asymptotically to zero temperature with increasing pressure. The Gruneisen thermodynamical parameter for the rotational tunnelling modes is calculated. It is large, negative, and increases in magnitude with rising pressure. Published under license by AIP Publishing.