Search results for "Thermal"
showing 10 items of 3576 documents
Melting of tantalum at high pressure determined by angle dispersive x-ray diffraction in a double-sided laser-heated diamond-anvil cell
2003
The high pressure and high temperature phase diagram of Ta has been studied in a laser-heated diamond-anvil cell (DAC) using x-ray diffraction measurements up to 52 GPa and 3800 K. The melting was observed at nine different pressures, being the melting temperature in good agreement with previous laser-heated DAC experiments, but in contradiction with several theoretical calculations and previous piston-cylinder apparatus experiments. A small slope for the melting curve of Ta is estimated (dTm/dP = 24 K/GPa at 1 bar) and a possible explanation for this behaviour is given. Finally, a P-V-T equation of states is obtained, being the temperature dependence of the thermal expansion coefficient an…
An Ultrahigh CO2-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures
2018
[EN] We report the formation of an ultrahigh CO2-loaded pure-SiO2, silicalite-1 structure at high pressure (0.7 GPa) from the interaction of empty zeolite and fluid CO, medium. The CO2-filled structure was characterized in situ by means of synchrotron powder X-ray diffraction. Rietveld refinements and Fourier recycling allowed the location of 16 guest carbon dioxide molecules per unit cell within the straight and sinusoidal channels of the porous framework to be analyzed. The complete filling of pores by CO, molecules favors structural stability under compression, avoiding pressure-induced amorphization below 20 GPa, and significantly reduces the compressibility of the system compared to th…
Powder X-Ray Diffraction Investigation of Xylazine Hydrochloride Solid Phase Transformation Kinetics
2013
The kinetics of the solid-state phase transformation of xylazine hydrochloride form X to A has been investigated using powder X-ray diffraction and differential thermal analysis. Three different kinetic models have been used to describe transition kinetics: the Avrami–Erofeev equation, the Cardew equation, and the methodology for simulation of solid-state phase transition kinetics by the combination of nucleation and nuclei growth processes. The latter has been recently developed and has been tested in this paper for the case of a real solid-state transition. The relative humidity, mechanical pressure, temperature, and sample-preparation effect on phase-transition kinetics have been investi…
Behaviour of the non-linear optical material KTiOPO4in the temperature range 293-973 K studied by x-ray diffractometry at high resolution: alkaline d…
1999
The crystal structure of potassium titanyl phosphate, KTiOPO4 (space group Pna21), has been refined at room temperature, at 673 K, and at 973 K, by using accurate single-crystal x-ray diffraction techniques at high resolution (dmin = 0.35 A). The data show a large amount of anharmonic motion of the potassium ions, increasing with temperature. To describe this motion, two models are developed: a normal refinement including potassium anharmonic thermal displacement parameters, which describes the average motion of the alkaline sites, and another model in which the potassium sites are split within the harmonic approximation and the displacements of the potassium ions versus temperature are des…
Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?
2015
A dysprosium based single-ion magnet is synthesized and characterized by the angular dependence of the single-crystal magnetic susceptibility. Ab initio and effective electrostatic analyses are performed using the molecular structures determined from single crystal X-ray diffraction at 20 K, 100 K and 300 K. Contrary to the common assumption, the results reveal that the structural thermal effects that may affect the energy level scheme and magnetic anisotropy below 100 K are negligible.
Preparation and Thermal Behavior of Freely-Suspended and Transferred Films Composed of a Single Compound, the Liquid Crystal 707PP
1991
We have recently introduced a new method for the preparation of ultrathin smectic films on solid supports by transferring freely-suspended liquid-crystalline films [1, 2]. Here we report on the preparation, structural properties and thermal behavior of freely-suspended and transferred films of 2-(4'-Heptyloxyphenyl)-5-heptylpyridine (707PP). Freely-suspended and transferred films were investigated using optical microscopy and X-ray diffraction. Both types of films exhibit reversible phase transitions comparable to bulk values.
High-Pressure High-Temperature Stability and Thermal Equation of State of Zircon-Type Erbium Vanadate.
2018
Inorganic chemistry 57(21), 14005 - 14012 (2018). doi:10.1021/acs.inorgchem.8b01808
Phase diagram of calcium at high pressure and high temperature
2018
Resistively heated diamond-anvil cells have been used together with synchrotron x-ray diffraction to investigate the phase diagram of calcium up to 50 GPa and 800 K. The phase boundaries between the Ca-I (fcc), Ca-II (bcc), and Ca-III (simple cubic, sc) phases have been determined at these pressure-temperature conditions, and the ambient temperature equation of state has been generated. The equation of state parameters at ambient temperature have been determined from the experimental compression curve of the observed phases by using third-order Birch-Murnaghan and Vinet equations. A thermal equation of state was also determined for Ca-I and Ca-II by combining the room-temperature Birch-Murn…
Isothermal equation of state and phase stability of Fe 5 Si 3 up to 96 GPa and 3000 K
2017
The composition of Earth's core has first-order implications for understanding the thermal and chemical history of the deep Earth. The present work measures the pressure-volume equation of state of Fe5Si3 to 96 GPa in a diamond anvil cell using noble gas pressure media and demonstrates that Fe5Si3 is not stable at high temperature and pressure, but reappears during thermal quench. The isothermal equation of state at ambient temperature of Fe5Si3 is given by the bulk modulus KT,0 = 167 (8) and KT,0' = 5.1 (2)), with V0 = 56.29 cm3mol-1. At high temperatures and pressures we observed the disappearance of hexagonal Fe5Si3 diffraction peaks and the appearance of peaks corresponding to cubic FeS…
Fine tuning of thermoelectric performance in phase-separated half-Heusler compounds
2015
Two successful recipes to enhance the thermoelectric performance, namely carrier concentration optimization and reduction of thermal conductivity, have been combined and applied to the p-type (Ti/Zr/Hf)CoSb1−xSnx system. An intrinsic micrometer-scale phase separation increases the phonon scattering and reduces the lattice thermal conductivity. A substitution of 15% Sb by Sn optimizes the electronic properties. Starting from this, further improvement of the thermoelectric properties has been achieved by a fine tuning of the Ti to Hf ratio. The microstructuring of the samples was studied in detail with high-resolution synchrotron powder X-ray diffraction and element mapping electron microscop…