Phase transition temperatures of side chain liquid crystal polymer from molecular dynamics simulation

In this paper, phase transition temperatures of side chain liquid crystal polymer were predicted by molecular dynamics simulation. We analyzed the change of energy and the degree of similarity(S) with the temperature varying. The simulated phase transition temperatures agree with the experimental values in a proper deviation.

KINETICS OF NONISOTHERMAL PHASE-TRANSITION OF POLY(ESTER-IMIDE)

Based on Jeziorny theory, the kinetics of phase transition of poly(ester-imide) has been determined under non-isothermal condition by using differential scanning calorimetry (DSC). Avrami exponent n, kinetic parameters G(c) and rate constant Z(c) were derived and discussed.

RAMAN-SPECTROSCOPIC STUDY OF CRYSTAL PHASE-TRANSITION IN BIS(N-UNDECYLAMMONIUM) TETRACHLOROZINCATE

The solid-solid phase transition of [n-C11H23NH3]2ZnCl4 Complex have been studied by Raman spectroscopy. The results show that the occurence of the structural phase transitions mainly related to the change of packing structure and molecular conformation o

AN INFRARED SPECTROSCOPIC STUDY OF THE STRUCTURAL PHASE-TRANSITION IN THE PEROVSKITE-TYPE LAYER COMPOUND [N-C16H33NH3]2COCL4

The solid-solid phase transitions in the perovskite-type layer compound [n- C16H33NH3]2CoCl4 have been studied by infrared spectroscopy. A new phase transition at 340 K was found by comparison with differential scanning calorimetry results. A temperature dependence study of the infrared spectra provides evidence of the occurrence of structural phase transitions related to the dynamics of the alkylammonium ions and hydrogen bonds. The main transition at 374 K corresponds to the conformational order-disorder change in the chain, which probably couples with reorientational motions of the NH3 polar heads. GTG or GTG' defects appear in the high temperature disordered phase.

MOSSBAUER-EFFECT STUDIES OF THE PHASE-TRANSITION PROCESS IN EUROPIUM PENTAPHOSPHATE

Mossbauer spectra of europium pentaphosphate are measured at various temperatures (126 to 200-degrees-C). Some Mossbauer parameters, such as isomer shift, electric quadrupole splitting, and asymmetry parameter of the EFG at Eu-151 nuclei are derived from the experimental spectra. The lattice parameters of the crystal are determined at several temperatures. The experimental results indicate that the crystal structure of europium pentaphosphate changes from monoclinic to orthorhombic. All of the temperature dependences of the Mossbauer parameters provide evidence of a phase transition of the crystal. The phase transition temperature can be determined from the curve of the asymmetry parameter of EFG versus temperature to 165-degrees-C.

Low-temperature heat capacity and phase transition of n-hexatriacontane

The heat capacities of crystalline and liquid n-hexatriacontane were measured with an automatic adiabatic calorimeter over the temperature range of 80-370 K. Two solid-to-solid phase transitions at the temperatures of 345.397 and 346.836 K, and a fusion at the temperature of 348.959 K have been observed. The enthalpies and entropies of these phase transitions as well as the chemical purity of the substance were determined on the basis of the heat capacity measurements. Thermal decomposition temperatures of the compound were measured by thermogravimetric analysis. (C) 1999 Elsevier Science B.V. All rights reserved.

Properties of complex of Tb(III) and poly(N-isopropylacrylamide)-g-poly(N-isopropylacrylamide-co-styrene) core-shell nanoparticles

We successfully prepared a new kind of thermoresponsive and fluorescent complex of Tb(III) and PNIPAM-g-P(NIPAM-co-St) (PNNS) core-shell nanoparticle. It was found that Tb(III) mainly bonded to 0 of the carbonyl groups of PNNS, forming the novel (PNIPAM-g-P(NIPAM-co-St))-Tb(III) (PNNS-Tb(III)) complex. The maximum emission intensity of the complex at 545 nm is enhanced about 223 times comparing to that of the pure Tb(III). The intramolecular energy transfer efficiency from PNNS to Tb(III) reaches 50%. When the weight ratio of Tb(III) and the PNNS-Tb(III) complex is 1.2 wt.%, the enhancement of the emission fluorescence intensity at 545 nm is highest.

First-principles prediction of the magnetism of 3d transition-metal-doped Rocksalt MgO

Using first-principles band structure methods, we have systematically studied the electronic structures, magnetic stabilities, and half-metal properties of 3d transition-metal (TM) doped Rocksalt MgO compounds TMMg3O4 (TM = V, Cr, Mn, Fe, Co, and Ni). The calculations reveal that only CrMg3O4 has a ferromagnetic stability among the six compounds, which is explained by double-exchange mechanism. The magnetic stability is affected by the doping concentration of TM if the top valance band is composed of partially occupied t(2g) states. In addition, CrMg3O4 is a half-metallic ferromagnet. The origins of half-metallic and ferromagnetic properties are explored. The Curie temperature (T-c) of CrMg3O4 is 182 K. And it is hard for CrMg3O4 to deform due to the large bulk modulus and shear modulus, so it is a promising spintronic material. Our calculations provide the first available information on the magnetic properties of 3d TM-doped MgO.

Spatial Mode Selection by the Phase Modulation of Subwavelength Plasmonic Grating

The extraordinary transmission of the subwavelength gold grating has been investigated by the rigorous coupled-wave analysis and verified by the metal-insulator-metal plasmonic waveguide method. The physical mechanisms of the extraordinary transmission are characterized as the excitation of the surface plasmon polariton modes. The subwavelength grating integrated with the distributed Bragg reflector is proposed to modulate the phase to realize spatial mode selection, which is prospected to be applied for transverse mode selection in the vertical cavity surface-emitting laser.

Theory Of Phase Transformation And Reorientation In Single Crystalline Shape Memory Alloys

A constitutive model, based on an (n + 1)-phase mixture of the Mori-Tanaka average theory, has been developed for stress-induced martensitic transformation and reorientation in single crystalline shape memory alloys. Volume fractions of different martensite lattice correspondence variants are chosen as internal variables to describe microstructural evolution. Macroscopic Gibbs free energy for the phase transformation is derived with thermodynamics principles and the ensemble average method of micro-mechanics. The critical condition and the evolution equation are proposed for both the phase transition and reorientation. This model can also simulate interior hysteresis loops during loading/unloading by switching the critical driving forces when an opposite transition takes place.

(Ga, Gd, As) film growth on GaAs substrate by low-energy ion-beam deposit

(Ga, Gd, As) film was fabricated by the mass-analyzed dual ion-beam epitaxy system with the energy of 1000 eV at room temperature. There was no new peak found except GaAs substrate peaks (0 0 2) and (0 0 4) by X-ray diffraction. Rocking curves were measured for symmetric (0 0 4) reflections to further yield the lattice mismatch information by employing double-crystal X-ray diffraction. The element distributions vary so much due to the ion dose difference from AES depth profiles. The sample surface morphology indicates oxidizing layer roughness is also relative to the Gd ion dose, which leads to islandlike feature appearing on the high-dose sample. One sample shows ferromagnetic behavior at room temperature. (C) 2003 Elsevier B.V. All rights reserved.

Energy spectrum of two-component Bose-Einstein condensates in optical lattices

With the method of Green's function, we investigate the energy spectra of two-component ultracold bosonic atoms in optical lattices. We End that there are two energy bands for each component. The critical condition of the superfluid-Mott insulator phase transition is determined by the energy band structure. We also find that the nearest neighboring and on-site interactions fail to change the structure of energy bands, but shift the energy bands only. According to the conditions of the phase transitions, three stable superfluid and Mott insulating phases can be found by adjusting the experiment parameters. We also discuss the possibility of observing these new phases and their transitions in further experiments.