Related papers: High pressure effects on the benzene pre-crystalli…
X-ray diffraction (XRD) experiments have been carried out on quartz-like GaPO4 at high pressure and room temperature. A transition to a high pressure disordered crystalline form occurs at 13.5 GPa. Slight heating using a YAG infrared laser…
Experiments show that isochoric (constant-volume) conditions enhance supercooling stability relative to isobaric (constant-pressure) conditions. Here, combining Helmholtz equilibrium thermodynamics with a first-order perturbation…
\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three…
Benzene ice contributes to an emission feature detected by the Cassini Composite InfraRed Spectrometer (CIRS) near 682 cm^{-1} in Titan's late southern fall polar stratosphere. It is as well one of the dominant components of the…
High pressure electrical resistivity and x-ray diffraction experiments have been performed on Fe single crystals. The crystallographic investigation provides direct evidence that in the martensitic $bcc \rightarrow hcp$ transition at 14 GPa…
The structural analogue of iron-based superconductors the BaMn$_2$P$_2$ and BaMn$_2$As$_2$ compounds under hydrostatic pressure upto 140 GPa were studied within the framework of DFT+U. The transition from an antiferromagnetic (AFM)…
The effect of pressure and negative pressure on the modes of oscillation of a multi-electron bubble in liquid helium is calculated. Already at low pressures of the order of 10-100 mbar, these effects are found to significantly modify the…
We report systematic investigation of high pressure crystal structures and structural phase transition upto 46 GPa in CaFeAsF and 40 GPa in SrFeAsF at 40 K using powder synchrotron x-ray diffraction experiments and Rietveld analysis of the…
We address an experimental investigation of evaporation waves. These waves appear when a liquid contained in a vertical glass tube is suddenly depressurized from a high initial pressure down to the atmospheric one. The state of the liquid…
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results…
Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon dispersion relations along various high symmetry directions as a…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
We discuss the crystallization process from the supersaturated melt in terms of its non-equilibrium properties. In particular, we quantify the amount of heat that is produced irreversibly when a suspension of hard spheres crystallizes. This…
This paper is focused on the relationship between solidification and melt sates. An abnormal change which takes place at 744 C from 84 to 120 min indicated a liquid-liquid structure transition in pure Bi melt. Based on liquid-liquid…
We investigate the evolution of the electrical resistivity of BaFe2As2 single crystals with pressure. The samples used were from the same batch grown from self flux and showed properties that were highly reproducible. Samples were…
In this paper we provide a highly accurate value for the binding energy of benzene to proton-ordered crystalline water ice (XIh), as a model for interstellar ices. We compare our computed value to the latest experimental data available from…
High-temperature and high-pressure experiments were conducted on columbite-type ZnNb2O6, reaching temperatures up to 873 K at ambient pressure and pressures up to 30 GPa at ambient temperature, respectively. Through systematic analysis…
Hydrogen is the most abundant element in the universe, and its properties under conditions of high temperature and pressure are crucial to understand the interior of of large gaseous planets and other astrophysical bodies. At ultra high…
We study the kinetics of crystallization in deeply supercooled liquid silicon employing computer simulations and the Stillinger-Weber three body potential. The free energy barriers to crystallisation are computed using umbrella sampling…
The stability of high-pressure phases of hydrogen remains a central question in condensed matter physics, where both experimental observations and theoretical predictions are highly sensitive to methodological choices. Here, we revisit the…