相关论文: Shock Induced Order-disorder Transformation in Ni3…
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are…
The order-disorder transition in Ni-Al alloys under irradiation represents an interplay between various re-ordering processes and disordering due to thermal spikes generated by incident high energy particles. Typically, ordering in enabled…
High-fidelity shock experiments were performed on copper powders with controlled porosity via improved target fabrication and assembly. Optical velocimetry and multi-channel pyrometry were used to obtain Hugoniot data, isentropic release…
We have developed a methodology to study the thermodynamics of order-disorder transformations in n-component substitutional alloys that combines nonequilibrium methods, which can efficiently compute free energies, with Monte Carlo…
We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1$\times$10$^4$-5.2$\times$10$^8$ K) and densities (0.25-49 g/cm$^3$), and experimental shock Hugoniot data at unprecedented high…
The principal Hugoniot of carbon, initially diamond, was measured from 3 to 80 TPa (30 to 800 million atmospheres), the highest pressure ever achieved, using radiography of spherically-converging shocks. The shocks were generated by…
Growing attention has been drawn in the past years to the \alpha-phase (1/3 monolayer) of Sn on Ge(111), which undergoes a transition from the low temperature (3x3) phase to the room temperature (\sqrt3 x \sqrt3)R30° one. On the basis…
Order-disorder effects on equation of state (EOS) properties of substitutional binary alloys are investigated with the cluster variation method (CVM) based on ab initio effective cluster interactions (ECI). Calculations are applied to the…
Metal-insulator transitions strongly coupled with lattice were found in Bi1-xLaxNiO3. Synchrotron X-ray powder diffraction revealed that pressure (P ~ 3 GPa, T = 300 K), temperature (T ~ 340 K, x = 0.05), and La-substitution (x ~ 0.075, T =…
This paper deals with the analytic derivation of a complete equation of state (EOS) for solids from shock-wave data in the range of pressures and temperatures, attained by detonation of chemical explosives. The caloric, the thermal and the…
The nature of orbital order-disorder transition has been studied in the La(1-x)Nd(x)MnO(3) (x = 0.0-1.0) series which covers the entire range between two end points - LaMnO(3) and NdMnO(3) - as well as in La(0.85)Nd(0.1)Sr(0.05)MnO(3) and…
We report the temperature and time dependence of electrical resistivity on high temperature, high oxygen pressure prepared polycrystalline samples of NdNiO_3. NdNiO_3 is metallic above 195 K and below that temperature it undergoes a…
Growing attention has been drawn in the past years to the \alpha-phase (1/3 monolayer) of Sn on Ge(111), which undergoes a transition from the low temperature (3x3) phase to the room temperature (\sqrt3 x \sqrt3)R30 one. On the basis of…
Liquid metals at extreme pressures and temperatures are widely interested in the high-pressure community. Based on density functional theory molecular dynamics, we conduct first-principles investigations on the equation of state (EOS) and…
We report the electronic properties of the NdNiO3, prepared at the ambient oxygen pressure condition. The metal-insulator transition temperature is observed at 192 K, but the low temperature state is found to be less insulating compared to…
We successfully synthesized samples of La$_{3}$Ni$_{2}$O$_{7+\delta}$ ($\delta = -0.50$, $-0.16$, $0.00$, $+0.01$, and $+0.12$) and measured the resistance under extremely high pressures using a diamond anvil cell to establish the…
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decomposition of the underlying condensed matter Hamiltonian for the…
Quantum molecular dynamic (QMD) simulations have been applied to study the thermophysical properties of liquid xenon under dynamic compressions. The equation of state (EOS) obtained from QMD calculations are corrected according to Saha…
The phase diagram of $Pr_{1-x}Ca_xMnO_3$ is modified x $\le$ 0.3, which suggests a reevaluation of the phase diagram of other manganites in that doping region. Rather than an orbital ordered phase reaching up to high temperatures of…
As one of the simple alkali metals, sodium has been of fundamental interest for shock physics experiments, but knowledge of its equation of state (EOS) in hot, dense regimes is not well known. By combining path integral Monte Carlo (PIMC)…