Resistivity, Seebeck coefficient, and thermal conductivity of platinum at high pressure and temperature

Platinum (Pt) is one of the most widely used functional materials for high-pressure and high-temperature experiments. Despite the crucial importance of its transport properties, both experimental and theoretical studies are very limited. In this study, we conducted density functional theory calculations on the electrical resistivity, the Seebeck coefficient, and the thermal conductivity of solid face-centered cubic Pt at pressures up to 200 GPa and temperatures up to 4800 K by using the Kubo-Greenwood formula. The thermal lattice displacements were treated within the alloy analogy, which is represented by means of the Korringa-Kohn-Rostoker method with the coherent potential approximation. The electrical resistivity decreases with pressure and increases with temperature. These two conflicting effects yield a constant resistivity of similar to 70 mu Omega cm along the melting curve. Both pressure and temperature effects enhance the thermal conductivity at low temperatures, but the temperature effect becomes weaker at high temperatures. Although the pressure dependence of the Seebeck coefficient is negligibly small at temperatures below similar to 1500 K, it becomes larger at higher temperatures. It requires a calibration of a thermocouple such as Pt-Rh in high-pressure and -temperature experiments

Impurity Resistivity of fcc and hcp Fe-Based Alloys: Thermal Stratification at the Top of the Core of Super-Earths

It is widely known that the Earth's Fe dominant core contains a certain amount of light elements such as H, C, N, O, Si, and S. We report the results of first-principles calculations on the band structure and the impurity resistivity of substitutionally disordered hcp and fcc Fe based alloys. The calculation was conducted by using the AkaiKKR (machikaneyama) package, which employed the Korringa-Kohn-Rostoker (KKR) method with the atomic sphere approximation (ASA). The local density approximation (LDA) was adopted for the exchange-correlation potential. The coherent potential approximation (CPA) was used to treat substitutional disorder effect. The impurity resistivity is calculated from the Kubo-Greenwood formula with the vertex correction. In dilute alloys with 1 at. % impurity concentration, calculated impurity resistivities of C, N, O, S are comparable to that of Si. On the other hand, in concentrated alloys up to 30 at. %, Si impurity resistivity is the highest followed by C impurity resistivity. Ni impurity resistivity is the smallest. N, O, and S impurity resistivities lie between Si and Ni. Impurity resistivities of hcp-based alloys show systematically higher values than fcc alloys. We also calculated the electronic specific heat from the density of states (DOS). For pure Fe, the results show the deviation from the Sommerfeld value at high temperature, which is consistent with previous calculation. However, the degree of deviation becomes smaller with increasing impurity concentration. The violation of the Sommerfeld expansion is one of the possible sources of the violation of the Wiedemann-Franz law, but the present results could not resolve the inconsistency between recent electrical resistivity and thermal conductivity measurements. Based on the present thermal conductivity model, we calculated the conductive heat flux at the top of terrestrial cores, which is comparable to the heat flux across the thermal boundary layer at the bottom of the mantle. This indicates that the thermal stratification may develop at the top of the liquid core of super-Earths, and hence, chemical buoyancies associated with the inner core growth and/or precipitations are required to generate the global magnetic field through the geodynamo

Electrical Resistivity of Cu and Au at High Pressure above 5 GPa: Implications for the Constant Electrical Resistivity Theory along the Melting Curve of the Simple Metals

The electrical resistivity of solid and liquid Cu and Au were measured at high pressures from 6 up to 12 GPa and temperatures & SIM;150 K above melting. The resistivity of the metals was also measured as a function of pressure at room temperature. Their resistivity decreased and increased with increasing pressure and temperature, respectively. With increasing pressure at room temperature, we observed a sharp reduction in the magnitude of resistivity at & SIM;4 GPa in both metals. In comparison with 1 atm data and relatively lower pressure data from previous studies, our measured temperature-dependent resistivity in the solid and liquid states show a similar trend. The observed melting temperatures at various fixed pressure are in reasonable agreement with previous experimental and theoretical studies. Along the melting curve, the present study found the resistivity to be constant within the range of our investigated pressure (6-12 GPa) in agreement with the theoretical prediction. Our results indicate that the invariant resistivity theory could apply to the simple metals but at higher pressure above 5 GPa. These results were discussed in terms of the saturation of the dominant nuclear screening effect caused by the increasing difference in energy level between the Fermi level and the d-band with increasing pressure

Electrical conductivity of basaltic and carbonatite melt-bearing peridotites at high pressures: Implications for melt distribution and melt fraction in the upper mantle

International audienceElectrical impedance measurements were performed on two types of partial molten samples with basaltic and carbonatitic melts in a Kawai-type multi-anvil apparatus in order to investigate melt fraction-conductivity relationships and melt distribution of the partial molten mantle peridotite under high pressure. The silicate samples were composed of San Carlos olivine with various amounts of mid-ocean ridge basalt (MORB), and the carbonate samples were a mixture of San Carlos olivine with various amounts of carbonatite. High-pressure experiments on the silicate and carbonate systems were performed up to 1600 K at 1.5 GPa and up to at least 1650 K at 3 GPa, respectively. The sample conductivity increased with increasing melt fraction. Carbonatite-bearing samples show approximately one order of magnitude higher conductivity than basalt-bearing ones at the similar melt fraction. A linear relationship between log conductivity (σbulk) and log melt fraction (phi) can be expressed well by the Archie's law (Archie, 1942) (σbulk/σmelt = Cphin) with parameters C = 0.68 and 0.97, n = 0.87 and 1.13 for silicate and carbonate systems, respectively. Comparison of the electrical conductivity data with theoretical predictions for melt distribution indicates that the model assuming that the grain boundary is completely wetted by melt is the most preferable melt geometry. The gradual change of conductivity with melt fraction suggests no permeability jump due to melt percolation at a certain melt fraction. The melt fraction of the partial molten region in the upper mantle can be estimated to be 1-3% and not, vert, similar 0.3% for basaltic melt and carbonatite melt, respectively

Electrical conductivity of partial molten carbonate peridotite

International audienceIn order to investigate the effect of carbonate-content in partial melt on bulk conductivity under high pressure, electrical conductivity measurements were performed on carbonate melt-bearing peridotites using a Kawai-type multi-anvil apparatus. The starting materials were composed of spinel lherzolite (KLB1) with small amounts of dolomite (1 and 3 wt.%). To obtain various melt fractions, annealing experiments were performed at different temperatures above 1400 K at 3 GPa. At low temperatures (⩽ 1500 K), the conductivity was distinctly higher than that of carbonate-free peridotite and close to that of the carbonatite melt-bearing olivine aggregates. Although the sample conductivity increased with increasing temperature, the rate at which the conductivity increases was small and the conductivity approached that of silicate melt-bearing peridotite. CO2 concentration in the partial melt decreased with increasing annealing temperature. Thus, the small increase of the conductivity with annealing temperature is attributed to a decrease of the melt conductivity due to a decrease in carbonate content in the partial melt. As the carbonate concentration in the melt decreases, the estimated melt conductivity approaches that of the basaltic melt. Therefore, conductivity enhancement by the carbonate-bearing melt is very effective at temperature just above that of the carbonate peridotite solidus