ﻻ يوجد ملخص باللغة العربية
Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are continuous while below 1500K the first order phase transition is accompanied by a discontinuity of the DC conductivity and the thermal conductivity, while both the reflectivity and absorption coefficient vary rapidly but continuously. Our results support the recent analysis of NIF experiments (P. Celliers et al, Science 361, 677-682 (2018)) which assigned the inception of metallization to pressures where the reflectivity is about 0.3. Our results also support the conclusion that the temperature plateau seen in laser-heated DAC experiments at temperatures higher than 1500 K corresponds to the onset of of optical absorption, not to the phase transition.
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static lattice energies of the competing phases and a density-functional-theory
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. We de
We study the effect of temperature up to 1000K on the structure of dense molecular para-hydrogen and ortho-deuterium, using the path-integral Monte Carlo method. We find a structural phase transition from orientationally disordered hexagonal close pa
Light-driven plasmonic enhancement of chemical reactions on metal catalysts is a promising strategy to achieve highly selective and efficient chemical transformations. The study of plasmonic catalyst materials has traditionally focused on late transi
In pursue of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO$_4$ under high pressure conditions, up until 24 GPa. We have fo