Electric-field-induced molecular alignment of side-chain liquid-crystalline polyacetylenes containing biphenyl mesogens

Electric-field-induced molecular alignments of side-chain liquid-crystalline polyacetylenes [-{HC=C[(CH2)(m)OCO-biph-OC7H15]}-, where biph is 4,4'-biphenylyl and m is 3 (PA3EO7) or 9 (PA9EO7)] were studied with X-ray diffraction and polarized optical microscopy. An orientation as high as 0.84 was obtained for PA9EO7. Furthermore, the molecular orientation of]PA9EO7 was achieved within a temperature range between the isotropic-to-smectic A transition temperature and 115 degreesC, and this suggested that the orientational packing was affected by the thermal fluctuation of the isotropic liquid and the mobility of the mesogenic moieties. The maximum achievable orientation for PA9EO7 was much greater than that for PA3EO7. This was the first time that the electric-field-induced molecular orientation of a side-chain liquid-crystalline polymer with a stiff backbone was studied.

Conformational and orientational analyses of 2,2 '-bithiophene under interaction of external electric field constructed by point charges

The fully relaxed single-bond torsional potentials and orientation-related rotational potentials of 2,2'-bithiophene (BT) under the interaction of an external electric field (EF) constructed by point charges have been evaluated with semi-empirical AMI and PM3 calculations. The torsional potentials are sensitive to both EF strength and direction. While the EF is parallel to the molecular long axis, the torsional barrier around C-x-C-x' bond obviously rises with increasing the EF strength, whereas the relative energies of syn and anti minima show a slight change. The interaction between the EF and the induced dipole moment has been proposed to elucidate this observation. On the other hand, the relative energy difference between the syn and anti minima shows an obvious change, while the EF is perpendicular to the molecular long axis. This feature has been ascribed to the interaction between the EF and the permanent dipole moment of BT. Furthermore, conformational and orientational analyses in two dimensions have been carried out by changing the torsional and rotational angles in the different EF. The conformation and orientation of a gas-phase BT in the EF are governed by both the above factors.

Study on single crystals of butyl branched polyethylene in the presence of electric field

Single crystal of butyl branched polyethylene with various molecular weight formed from the melt in the presence of electric field was studied. It was found that electric field influenced morphology and structure of the butyl branched polyethylene single crystals formed. The lateral habits of the single crystals were circular shape, which was different from truncated lozenge or lenticular shape single crystals formed from the melt in the absence of electric field. The stems in the single crystals formed in the presence Of electric field were perpendicular to the basal plane of the single crystals, which was different from chain tilting in single crystals formed from the melt in the absence of electric field. The electron diffraction patterns showed that the structure of the circular single crystals was a quasi-hexagonal with looser chain packing. This looser chain packing was favorable to thickening growth of single crystals through chain sliding diffusion. The thickness of the single crystals was much larger and depended on molecular weight. It indicated that the single crystal in the presence of electric field should be an extended chain type Single crystal.

Conformational analysis of 2,2 '-bithiophene under interaction of external electric field defined by point charges

Conformational analysis of 2,2'-bithiophene (BT) under the influence of an electric field (EF) constructed by point charges has been performed by using semi-empirical Austin Model 1 (AM1) and Parametric model number 3 (PM3) calculations. When the EF perpendicular to the molecular conjugation chain is applied, both AM1 and PM3 calculations show an energy increase of the anti-conformation. AM1 predicts that the global minimum shifts to syn-conformation when the EF strength is larger than a critical value. and PM predicts that the local minimum in anti-conformation vanishes. This kind of EF effect has been ascribed to the EF and dipole moment interaction.

Melt crystallization of poly(ether ether ketone ketone) under strong electric field

In this paper, melt crystallization of poly(ether ether ketone ketone) (PEEKK) under strong electric field was investigated. In the crystal structure of PEEKK, the length of c axis was found to he 1.075 nm, increasing by 7% compared to that of PEEKK crystallized without strong electric field. The molecule chains might take a more extended conformation through the opening of the bridge bond angles by increasing from 124 degrees to 144 degrees under strong electric field in the crystal structure.

Electric field-induced conformational transition of bovine serum albumin from alpha-helix to beta-sheet

The irreversible conformational transition of bovine serum albumin (BSA) from alpha-helix to beta-sheet, induced by electric field near the electrode surface, was monitored by circular dichroism (CD) with a long optical path thin layer cell (LOPTLC).

THE CHARGE-DISTRIBUTION AND THE ELECTRIC-FIELD GRADIENT IN THE HIGH-TEMPERATURE SUPERCONDUCTOR TLBA2CAN-1CUNO2N+3 (N = 1 TO 3)

The net charges at atoms in the high-temperature superconductor TlBa2Can-1CunO2n+3 (n = 1 to 3) are calculated by means of the tight-binding approximation based on the EHMO method. The results indicate that the charge distribution in this kind of compounds possesses a specially layered arrangement. An insulating Ba-Ba layer is inserted between the Cu-O layer and the Tl-O layer. There may exist a weak coupling between the Cu-O layer and the Tl-O layer through the interaction of the same O(2) atom with both the Cu atom and the Tl atom. The existence of the Ca in the compounds can cause the valence fluctuation at the Cu atom. The calculated electric field gradients at atoms implies that the conducting electron or hole may move in the Cu-O layer, which is closest to the Tl-O layer, along the a-b plane.

Effective response of nonlinear composite under external AC and DC electric field

A perturbation method is used to study effective response of nonlinear Kerr composites, which are subject to the constitutive relation of electric displacement and electric field, D-alpha = epsilon(alpha)E + chi(alpha)vertical bar E vertical bar(2)E. Under the external AC and DC electric field E-app = E-a (1 + sinwt), the effective nonlinear responses and local potentials are induced by the cubic nonlinearity of Kerr materials at all harmonics. As an example in three dimensions, we have investigated this kind of nonlinear composites with spherical inclusions embedded in a host. At all harmonic frequencies, the potentials in inclusion and host regions are derived. Furthermore, the formulae of the effective linear and nonlinear responses are given in the dilute limit.

Controlling electric field distribution by graded spherical core-shell metamaterials

This paper investigates analytically the electric field distribution of graded spherical core-shell metamaterials, whose permittivity is given by the graded Drude model. Under the illumination of a uniform incident optical field, the obtained results show that the electrical field distribution in the shell region is controllable and the electric field peak's position inside the spherical shell can be confined in a desired position by varying the frequency of the optical field as well as the parameters of the graded dielectric profiles. It has also offered an intuitive explanation for controlling the local electric field by graded metamaterials.

Localization of the electric-field distribution in graded core-shell metamaterials

The local electric-field distribution has been investigated in a core-shell cylindrical metamaterial structure under the illumination of a uniform incident optical field. The structure consists of a homogeneous dielectric core, a shell of graded metal-dielectric metamaterial, embedded in a uniform matrix. In the quasistatic limit, the permittivity of the metamaterial is given by the graded Drude model. The local electric potentials and hence the electric fields have been derived exactly and analytically in terms of hypergeometric functions. Our results showed that the peak of the electric field inside the cylindrical shell can be confined in a desired position by varying the frequency of the optical field and the parameters of the graded profiles. Thus, by fabricating graded metamaterials, it is possible to control electric-field distribution spatially. We offer an intuitive explanation for the gradation-controlled electric-field distribution.

Effective dielectric response of nonlinear composites with external ac and dc electric field

The perturbation method is developed to investigate the effective nonlinear dielectric response of Kerr composites when the external ac and dc electric field is applied. Under the external ac and dc electric field E-app=E-a(1+sin omegat), the effective coupling nonlinear response can be induced by the cubic nonlinearity of Kerr nonlinear materials at the zero frequency, the finite basic frequency omega, the second and the third harmonics, 2omega and 3omega, and so on. As an example, we have investigated the cylindrical inclusions randomly embedded in a host and derived the formulas of the effective nonlinear dielectric response at harmonics in dilute limit. For a higher concentration of inclusions, we have proposed a nonlinear effective-medium approximation by introducing the general effective nonlinear response. With the relationships between the effective nonlinear response at harmonics and the general effective nonlinear response, we have derived a set of formulas of the effective nonlinear dielectric responses at harmonics for a larger volume fraction. (C) 2004 American Institute of Physics.

Higher order response of nonlinear composite in external AC electric field

The fifth-order effective nonlinear responses at fundament frequency and higher-order harmonics are given for nonlinear composites, which obey a current-field relation of the form J = sigmaE + x\E\(2) E, if a sinusoidal alternating current (AC) external field with finite frequency omega is applied. As two examples, we have investigated the cylinder and spherical inclusion embedded in a host and, for larger volume fraction, also derived the formulae of effective nonlinear responses at higher-order harmonics by the aid of the general effective response definition. Furthermore, the relationships between effective nonlinear responses at harmonics are given. (C) 2003 Elsevier Science B.V. All rights reserved.

Effective response of a non-linear composite in external AC electric field

A general effective response is proposed for nonlinear composite media, which obey a current field relation of the form J = sigmaE + chi\E\(2) E when an external alternating current (AC) electrical field is applied. For a sinusoidal applied field with finite frequency omega, the effective constitutive relation between the current density and electric field can be defined as, = sigma(e) + chi(e) <\E(x, omega, t)\(2) E(x, omega, t)> + (. . .), where sigma(e) and chi(e) are the general effective linear and nonlinear conductive responses, respectively. The angled brackets <(. . .)> denotes the ensemble average. As two examples, we have investigated the cylindrical and spherical inclusions embedded in a host and also derived the formulae of the general effective linear and nonlinear conductive responses in dilute limit. For higher volume fraction of inclusions, we have proposed a nonlinear effective medium approximation (EMA) method to estimate the general effective response of nonlinear composites in external AC field. Furthermore, the effective nonlinear responses at harmonics are predicted by using the general effective response. (C) 2002 Elsevier Science B.V. All rights reserved.