相关论文: Ab initio study of shock compressed oxygen
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…
In this work UV and white light (WL) coronagraphic data are combined to derive the full set of plasma physical parameters along the front of a shock driven by a Coronal Mass Ejection. Pre-shock plasma density, shock compression ratio, speed…
The molecular ion H$_2^+$ is studied under strong confinement conditions produced by a spherical barrier centered in the gravity center of the molecule. Results for the potential curves are obtained by diffusion Monte Carlo methods for the…
We report x-ray diffraction and emission spectroscopy of FeO under laser-driven shock compression between 31-199 GPa. FeO retains the B1 (rocksalt) structure along the Hugoniot to the melt boundary at 191 GPa. While the phase and volume are…
The effect of ionic disorder on the principal Hugoniot is investigated using Multiple Scattering Theory to very high pressure (Gbar). Calculations using molecular dynamics to simulate ionic disorder, are compared to those with a fixed…
We report the combined results of molecular dynamics simulations and theoretical calculations concerning various dynamical arrest transitions in a model system representing a dipolar fluid, namely, N (softcore) rigid spheres interacting…
We perform density functional molecular dynamics simulations of liquid and solid MgSiO3 in the pressure range of 120-1600 GPa and for temperatures up to 20000 K in order to provide new insight into the nature of the liquid-liquid phase…
The recent development of techniques for laser-driven shock compression of hydrogen has opened the door to the experimental determination of its behavior under conditions characteristic of stellar and planetary interiors. The new data probe…
Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…
The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…
Two-dimensional electron systems with fascinating properties exist in multilayers of standard semiconductors, on helium surfaces, and in oxides. Compared to the two-dimensional (2D) electron gases of semiconductors, the 2D electron systems…
We present an experimental study of the dissociative excitation in the collision of helium ions with nitrogen and oxygen molecules for collision energy of $0.7-10$ keV. Absolute emission cross sections are measured and reported for most…
We report results of ab initio constant-pressure molecular dynamics simulations of sulfur compression leading to structural transition and pressure-induced amorphization. Starting from the orthorhombic S-I phase composed of S$_8$ ring…
Relaxation dynamics, as a key to understand glass formation and glassy properties, remains an elusive and challenging issue in condensed matter physics. In this work, in situ high-pressure synchrotron high-energy x-ray photon correlation…
The expansion of a magnetized high-pressure plasma into a low-pressure ambient medium is examined with particle-in-cell (PIC) simulations. The magnetic field points perpendicularly to the plasma's expansion direction and binary collisions…
The mechanical properties of crystalline materials can be substantially modified under confinement. Such modified macroscopic properties are usually governed by the altered microstructures and internal stress fields. Here, we use a parallel…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
We consider an ensemble of trapped atoms interacting with a continuous wave laser field. For sufficiently polarized atoms and for a polarized light field, we may approximate the non-classical components of the collective spin angular…
The dynamics of internal spin, electronic orbital, and nuclear motion states of atoms and molecules have preoccupied the atomic and molecular physics community for decades. Increasingly, such dynamics are being examined within many-body…
We present estimates of the critical properties, thermodynamic functions, and principal shock Hugoniot of hot dense aluminum fluid as predicted from a chemical model for the equation-of-state of hot dense, partially ionized and partially…