Search results for "Phase Transition"
showing 10 items of 1281 documents
Electrical conductivity and micro-Raman scattering studies of ionic conduction in Li1−xHxIO3 solid solutions
2002
Abstract Li 1− x H x IO 3 solid solutions have been investigated by ac electrical conductivity and micro-Raman techniques, for x ≤0.32. The presence of protons leads to a continuous reduction of the anisotropic intrinsic conduction of the system. The in-plane conduction mechanism would be by Li + vacancy hopping, while a mixed process by interstitial Li + and H + would account for the conduction along the c -axis. The solid solutions undergo the same phase transition sequence as the pure crystal, but the presence of the protons shifts the transition temperatures to lower values. Micro-Raman spectroscopy has been successfully introduced to demonstrate that proton mobility occurs preferential…
In-situ pressure crystallization and X-ray diffraction study of 1,1,2,2-tetrachloroethane at 0.5 GPa
2004
Abstract 1,1,2,2-Tetrachloroethane, C2H2Cl4 (denoted TCE, m.p. 230 K) has been in-situ pressure crystallized in a Merrill-Bassett diamond-anvil cell, and its structure has been determined at 0.5 GPa and 295 K from the single-crystal X-ray diffraction data. TCE crystallizes in the monoclinic space group P21 /c with the molecules located at the inversion centers. The molecules are in the s-trans conformation, while they assume the gauche conformation in the crystal obtained by cooling. This implies that a phase transition may exist between the low-temperature and high-pressure phases of TCE. In the high-pressure phase the HC–CH moiety of the C2H2Cl4 molecule is disordered in two sites, one re…
High-pressurein-situcrystallization, structure and phase transitions in 1,2-dichloroethane
2004
AbstractThe single crystal of 1,2-dichloroethane, C2H4Cl2wasin-situcrystallized in a Merrill-Bassett diamond-anvil cell, and its structure determined at 0.7 GPa and 280 K. The crystals are monoclinic, space groupP21/c. The C2H4Cl2molecules in thes-transconformation are located at the inversion centers. The —H2C—CH2—ethylene group is disordered in two sites, with equal occupancies, one rotated by 180° to the other about the Cl⋯Cl axis of the molecule. The crystal cohesion forces have been attributed mainly to Cl⋯Cl intermolecular interactions, and their role in the mechanism of the phase transition at 177 K has been analysed. It was found that the order-disorder phase transition in the struc…
Modelling of phase transitions and reaction at CO adsorption on oxygen precovered Pd(111)
2006
Abstract Using the interaction parameters up to the third neighbors and activated form of O and CO diffusion and their reaction, the model has been proposed for Monte-Carlo simulations describing the catalytic O + CO → CO2 reaction and occurring phase transitions on Pd(1 1 1) surface. Upon adsorption of CO the pre-adsorbed oxygen transforms from p(2 × 2)O phase into 3 × 3 R 30 O ° and 3 × 3 R 30 O ° → p ( 2 × 1 ) O phases in the limit of room and moderate temperatures, respectively. We demonstrate that the kinetic effects determine both the occurrence of the p(2 × 1)O and disappearance of the 3 × 3 R 30 O ° phases at moderate and low temperatures, respectively. Using reaction rate as a fit …
Effect of pressure on the luminescence properties of Nd3+ doped SrWO4 laser crystal
2008
Abstract The luminescence spectra of the 4 F 3/2 → 4 I 9/2 transition of Nd 3+ ions in a SrWO 4 crystal have been analyzed as a function of pressure at room temperature. Experiments have been performed in a diamond-anvil cell up to 13 GPa. At around 10 GPa some changes in the emission spectra have been observed which are attributed to a structural phase transition of the SrWO 4 matrix. These results are in good agreement with a previous paper, in which in a pure SrWO 4 matrix a scheelite to fergusonite phase transition is found around 10.5 GPa. Moreover, with increasing pressure, the decay curves from the 4 F 3/2 are nonexponential and faster indicating that the energy transfer processes …
A grand ensemble Monte Carlo study of metal adsorption on a (110) bcc substrate
1992
Abstract The multilayer adsorption of a metal on a (110) bcc substrate has been studied by a grand-canonical Monte Carlo simulation in continuous, three-dimensional space. The obtained values of the critical parameters are compared with the results of a similar 2D Monte Carlo calculation and are interpreted in the spirit of the theory of Asada. A sharp transition from monolayer to multilayer adsorption is observed. The transition is accompanied by a substantial structural rearrangement in the adlayers immediately at the substrate. Generally it appears that the inclusion of the third dimension in the simulation reveals some important features of the phase transition and of the structure of t…
On structural phase transitions in the (C 5 H 12 N) 2 SbCl 5 crystals
2000
Abstract The results of the X-ray (at 295 and 355 K), dilatometric, differential scanning calorimetry and dielectric studies on a new piperidinium crystal, (C5H12N)2SbCl5, are presented. The anionic sublattice of the crystal is built up of infinite (SbCl52−)n chains composed of SbCl63− distorted octahedra connected with each other by corners. In voids of anionic sublattice two crystallographically independent piperidinium cations are located. At 295 K they are both in chair conformation. The compound undergoes three first-order phase transitions at 378.5 K (I→II), 339.5 K (II→III) and 205 K (III→IV). The mechanism of the (II→III) transition (Pna21→P212121) was proposed based on the X-ray da…
Crystal structure, phase transitions and ferroelastic properties of [(CH3)2NH2]3[Bi2Cl9]
2003
Abstract A sequence of structural phase transitions in [(CH3)2NH2]3[Bi2Cl9] (DMACB) is established on the basis of differential scanning calorimetry (DSC) and dilatometric studies. Four phase transitions are found: at 367/369, 340/341, 323/325 and 285/292 K (on cooling/heating). The crystal structure of DMACB is determined at 350 K. It crystallizes in monoclinic space group P21/n: a=8.062(2), b=21.810(4), c=14.072(3) A, β=92.63(3)°, Z=4, R1=0.0575, wR2=0.1486. The crystal is built of the double chain anions (“pleated ribbon structure”) and the dimethylammonium cations. Dielectric studies in the frequency range 75 kHz–900 MHz indicate relatively fast reorientation of the dimethylammonium cat…
In situ study of the phase transition in Bi2Ti4O11
1995
Abstract The paraelectric ⇌ antiferroelectric phase transition of the compound Bi 2 Ti 4 O 11 is studied in situ by electron diffraction and electron microscopy. The transition is reversible and clearly second order. Above T c faint streaking at the superlattice positions persists. In the low-temperature phase, antiphase boundaries with a displacement vector R = 1/2[101] are revealed; they show a finite width, suggesting a gradual displacement of the Bi atoms at the transition. A model for the domain wall configuration is proposed, based on the influence of the lone pairs of Bi 3+ ions at the transition.
Dielectric investigations of pure and mixed fluorocarbons in their condensed phases
1991
We review recent work and present new results on the liquid and solid fluocarbons CMF3 with M = H, F, Cl, Br, CH3, and CF3. The pure compounds as well as several series of binary mixtures were investigated using dielectric measurements. The permittivities of the non-hydrogenatcd non-polar and polar liquids could be described using the Clausius-Mosotti and the Onsager equation, respectively. In CHF3 and C2H3F3 hydrogen bridging leads to deviations from this simple behavior. The trends in the miscibility of four series of fluorocarbon mixtures are in qualitative accord with regular solution theory. The geometrical shapes of the compounds dominate the degrees of order below their melting point…