Mechanical Properties and Thermodynamic Parameters of Sr2 RuO4 and Sr2 RuO2 F2 Compounds under Pressure and Temperature Effects: Voigt–Reuss–Hill Approximations and Debye Model

We present a first-principles study of the elastic and thermodynamic properties of the Sr2 RuO4 -xFx alloy (x = 0, 2). Computations are carried out using the WIEN2K code based on a non-relativistic full–potential linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). The Voigt–Reuss–Hill approximation method is applied to analyze the elastic constants, Poisson ratio, bulk, shear, and Young modulus at zero pressure and temperature using ELASTIC 1.0 software. The Sr2 RuO4 and Sr2 RuO2 F2 tetragonal phases are mechanically stable because the elastic constants satisfy Born’s mechanical stability condition. In addition, we performed a quasi-harmonic Debye model calculation using the GIBBS2 package to predict the thermodynamic properties and their temperature and pressure dependencies. Thermodynamic parameters such as the Gibbs free energy, heat capacity, Grüneisen parameter, and Debye temperature are successfully obtained and discussed

Pressure and Temperature Effects on the Magnetic Properties of Donor Impurities in a GaAs/AlGaAs Quantum Heterostructure Subjected to a Magnetic Field

The exact diagonalization method has been used to solve the effective-mass Hamiltonian of a single electron confined parabolically in the GaAs/AlGaAs quantum heterostructure, in the presence of a donor impurity and under the effect of an applied uniform magnetic field. The donor impurity is located at distance (d) along the growth direction which is perpendicular to the motion of the electron in a two-dimensional heterostructure layer. We have investigated the dependence of the magnetization (M) and magnetic susceptibility (χ) of a GaAs/AlGaAs quantum heterostructure nanomaterial on the magnetic field strength (ω_c), confining frequency (ω_o), donor impurity position (d), pressure (P) and temperature (T). Keywords: Exact diagonalization, Donor impurity, Magnetic field, Magnetization, Magnetic susceptibility, Pressure and temperature.

Effect of Hydrostatic Pressure and Temperature on Quantum Confinement of AlGaN/GaN HEMTs

In this paper, an analytical model for quantum confinement electron density in two-dimensional quantum well, has been investigated. In order to obtain the exact AlGaN/GaN HEMTs parameters such as electron density, the wave function, band gap, polarization charge, effective mass and dielectric constant, the hydrostatic pressure and temperature effects are taken into account. It has been found that the electron density decreases with increasing temperature and increases with increasing hydrostatic pressure. With increasing hydrostatic pressure, the effective mass decreases and the quantum confinement electrons are increased in the quantum well. Also with increasing hydrostatic pressure, the height of wave functions increase and decreases electron wave functions to penetrate the quantum barrier but increasing the temperature behaves the opposite of increasing the pressure. However, with increasing temperature, the effective mass is increased and the quantum confinement electrons are reduced. The calculated results for electron density are in good agreement with existing experimental data.

The Study of the Correlation between a Specific Output Flow of Acetate Cellulose Films and the Pressure Gradient, Temperature and Classification of the Processes of Membrane Separation of Solutions

A comparative study of the application of membrane, electromembrane and electrobaromembrane technologies for various industries in the field of wastewater treatment and technological solutions is presented. The principle of classification of membrane separation processes is formulated. The characteristic periods of the solvent transfer stimulation were determined. Based on the experimental data obtained on the permeability of the solvent through the MGA-80P and MGA-95 membranes, empirical dependences are proposed that describe the kinetic characteristics of the dependence from transmembrane pressure and temperature effects.

Evaluation of pressure and temperature effects on hydropyrolysis of pine sawdust: pyrolysate composition and kinetics studies

Kinetics and product distribution from high pressure hydropyrolysis of biomass using Py-GC/MS and Py-FTIR.