Search results for "lattice [space-time]"

Structure, phase transitions and molecular motions in ferroelastic (C4H8NH2)SbCl6·(C4H8NH2)Cl

2002

The crystal structure at 293 K of the new pyrrolidinium chloroantimonate (V) analogue, (C4H8NH2)SbCl6(C4H8NH2)Cl, has been determined by x-ray diffraction as monoclinic, space group P21/c, Z = 8. The crystal is built up of isolated SbCl6- anions, two types of inequivalent pyrrolidinium cation and isolated Cl- ions. It undergoes five solid-solid phase transitions: at 351/374 K of first-order type (cooling/heating, respectively), at 356 and 152 K second order and at 135/141 and 105/134 K first order, detected by differential scanning calorimetry, dilatometric and dielectric measurements. The ferroelastic domain structure appears between 152 and 135 K. The proton nuclear magnetic resonance sec…

1H NMR, DSC, dielectric, and dilatometric studies of phase transitions and molecular dynamics in N (C2H5)4SbCl4

1994

The results of dielectric, dilatometric, 1H NMR, and DSC studies on N(C2H5)4SbCl4 crystals are presented. The title compound undergoes two phase transitions at Tc1 = 272 K reversible of first order and at Tc2 = 393 K irreversible. The values of transition entropies and enthalpies are compared with those of other tetraethylammonium halogenoantimonates and bismuthates (III). The spin-lattice relaxation times and the values of the second moments of the 1H NMR line for the N(C2H5)4SbCl4 crystal are measured in the temperature range of 70 to 400 K. Two minima of T1 are observed. They are attributed to CH3 group reorientations. The activation energies for the processes are determined.

Detailed study of defects in thin fullerite films

2012

The structural investigations of fullerite films were performed using high-resolution electron microscopy, electron diffraction and electron energy loss spectroscopy and X-ray photoelectron spectroscopy. In particular defects such as dislocations, stacking faults and twins were studied in details. It was shown that fullerite films could be characterized by a face-centered cubic (f.c.c.) structure with lattice parameter a = 1.416 nm. They are distinguished for their rich polytypic structure that is caused by breaking of alteration of closely packed planes of (111) type. The quantitative method based on information theory using the “run-length encoding” algorithm was suggested to evaluate the…

Preparation and Investigation of BaSO4KMnO4 Crystals

1969

BaSO4 crystals containing KMnO4 prepared by precipitation were investigated morphologically, chemically and by X-ray diffraction. The colour of the preparations is homogeneous and stable. The colour intensity and also the amount of dissolved KMnO4 (maximum approx. 30 Mol%) increases with concentration of KMnO4 in the reaction solution to a limiting value dependent on the temperature. The lattice constants or the unit cell volume of the BaSO4–KMnO4 crystals increase with the proportion of KMnO4. The experimental values agree well with the Vegard rule for preparations up to 18 Mol% KMnO4, but with higher proportions significant departures were observed. They may easily be explained by adsorpt…

1H NMR study of dynamical inequivalence of cations in [C(NH2)3]3Sb2Cl9

2001

Abstract The proton NMR second moment and spin–lattice relaxation time have been studied for polycrystalline tris-guanidinium nonachlorodiantimonate(III) in a wide temperature range. The C 3 reorientation of two types of the cations, hindered by very different potential barriers (20.5 and 54.5 kJ/mol) has been revealed. An unusually large dynamical inequivalence of two cations evidently reflects their different crystalline environments.

The essential identity of the framework structures of ZSM-8 and ZSM-5

1994

The crystal structures of TEA-ZSM-8 and its calcined template-free form have been studied by Rietveld analyses based on X-ray powder diffraction data. The results show that the aluminosilicate framework structure of ZSM-8 is essentially identical to that of ZSM-5. The tetraethylammonium molecule could be located in the difference Fourier analysis yielding positions similar to its TPA counterpart in ZSM-5. Lattice constants of ZSM-8 are in the same range as for ZSM-5. Contrary results are related to incorrectly indexed powder patterns. Optical investigations of ZSM-5 and ZSM-8 crystals showed that the zeolites studied here are both twinned exhibiting differently shaped twin individuals.

1977

Solutions of chain- (PS-d3) and phenyl ring (PS-d5) deuterated polystyrenes in perdeuterated PS-d8 have been investigated with 1H and 2D NMR relaxation and wide line methods. The intra- and intermolecular parts of the 1H second moments at −100°C are 3,7 G2 and 2,0 G2, respectively, for PS-d3, and 14,7 G2 and ca. 0 G2, respectively, for PS-d5. The intermolecular contribution to the 1H spin lattice relaxation rate, determined at 55 MHz between 150°C and 250°C, is about one third of the total rate in PS-d3, and negligible in PS-d5. We suggest that this contribution is caused by rotational fluctuations of the intermolecular H H vectors. The intramolecular 1H- and 2D-relaxation rates indicate th…

2019

The in-medium dynamics of heavy particles are governed by transport coefficients. The heavy quark momentum diffusion coefficient, $\ensuremath{\kappa}$, is an object of special interest in the literature, but one which has proven notoriously difficult to estimate, despite the fact that it has been computed by weak-coupling methods at next-to-leading order accuracy, and by lattice simulations of the pure SU(3) gauge theory. Another coefficient, $\ensuremath{\gamma}$, has been recently identified. It can be understood as the dispersive counterpart of $\ensuremath{\kappa}$. Little is known about $\ensuremath{\gamma}$. Both $\ensuremath{\kappa}$ and $\ensuremath{\gamma}$ are, however, of foremo…

High-field nuclear spin relaxation in liquids and solids

1990

The authors generalise the standard theory of nuclear spin relaxation to situations in which the Markovian approximation is not applicable. Expressions for generalised frequency-dependent spin relaxation functions are presented. They show that under high-field conditions the relaxation of longitudinal magnetisation is exponential independent of the particular time dependence of the correlation functions.

Interactive Terrain Simulation and Force Distribution Models in Sand Piles

2006

This paper presents an application of Cellular Automata in the field of dry Granular Systems modelling While the study of granular systems is not a recent field, no efficient models exist, from a computational point of view, in classical methodologies Some previous works showed that the use of Cellular Automata is suitable for the development of models that can be used in real time applications This paper extends the existing Cellular Automata models in order to make them interactive A model for the reaction to external forces and a pressure distribution model are presented and analyzed, with numerical examples and simulations.