Emission characteristics of a homologous series of bimesogenic liquid-crystal lasers.

In this study we have fabricated eight different liquid-crystal lasers using the same gain medium but different homologues from the bimesogenic series alpha-(2',4-difluorobiphenyl-4'-yloxy)-omega-(4-cyanobiphenyl-4'-yloxy)alkanes, whereby the number of methylene units in the spacer chain varied from n=5 to n=12. To quantify the performance of these lasers, the threshold energy and the slope efficiency were extracted from the input-output characteristics of each laser. A clear odd-even effect was observed when both the excitation threshold and the slope efficiency were plotted as a function of the number of methylene units in the spacer chain. In all cases, the bimesogen lasers for which n is even exhibit lower threshold energies and higher slope efficiencies than those for which n is odd. These results are then interpreted in terms of the macroscopic physical properties of the liquid-crystalline compounds. In accordance with a previous study [S. M. Morris, A. D. Ford, M. N. Pivnenko, O. Hadeler, and H. J. Coles, Phys. Rev. E. 74, 061709 (2006)], a combination of a large birefringence and high order parameters are found, in the most part, to correlate with low-threshold energy and high slope efficiency. This indicates that the threshold and slope efficiency are dominated by the host macroscopic properties as opposed to intermolecular interactions between the dye and the liquid crystal. However, certain differences in the slope efficiency could not be explained by the birefringence and order parameter values alone. Instead, we find that the slope efficiency is further increased by increasing the elastic constants of the liquid-crystal host so as to decrease the scattering losses incurred by local distortions in the director field under high-energy optical excitation.

Efficient sampling of atomic configurational spaces.

We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling (AIP Conf. Proc. 2004, 395; J. Bayesian Anal. 2006, 1, 833) and allows us to explore the entire potential energy surface (PES) efficiently in an unbiased way. The algorithm has two parameters which directly control the trade-off between the resolution with which the space is explored and the computational cost. We demonstrate the use of nested sampling on Lennard-Jones (LJ) clusters. Nested sampling provides a straightforward approximation for the partition function; thus, evaluating expectation values of arbitrary smooth operators at arbitrary temperatures becomes a simple postprocessing step. Access to absolute free energies allows us to determine the temperature-density phase diagram for LJ cluster stability. Even for relatively small clusters, the efficiency gain over parallel tempering in calculating the heat capacity is an order of magnitude or more. Furthermore, by analyzing the topology of the resulting samples, we are able to visualize the PES in a new and illuminating way. We identify a discretely valued order parameter with basins and suprabasins of the PES, allowing a straightforward and unambiguous definition of macroscopic states of an atomistic system and the evaluation of the associated free energies.

Photoisomerising effects in nitroazo flexoelectric dimeric nematic systems

The photoisomerisation of a flexoelectric chiral nematic bimesogen system dyed with an azo dye has been investigated. The host material has a pitch and field dependent tilt angle that are temperature independent. Upon illumination by ultra violet, the azo dye molecules undergo a shape change from their trans to cis isomer. The effect of the shape change of the dye on the mixture is to decrease the I-N* transition temperatures, to increase the response times and to decrease the transmitted optical intensity. For the same reduced temperatures, the tilt angles, pitch and threshold voltages for the transition from focal conic to homeotropic textures are unchanged. The macroscopic parameters observed suggest that the orientational order parameter of the system is reduced by UV illumination. The cis isomers do not appear to separate from the host material or significantly change the flexoelectric coefficient. © 2001 OPA (Overseas Publishers Association) N.V. Published by license under the Gordon and Breach Science Publishers imprint, a member of the Taylor & Francis Group.

High efficiency liquid crystal lasers giving "white light" emission from arrays and flexible substrates

The self-organization of the helical structure of chiral nematic liquid crystals combined with their sensitivity to electric fields makes them particularly interesting for low-threshold, wavelength tunable laser devices. We have studied these organic lasers in detail, ranging from the influence specific macroscopic properties, such as birefringence and order parameter, have on the output characteristics, to practical systems in the form of two-dimensional arrays, double-pass geometries and paintable lasers. Furthermore, even though chiral nematics are responsive to electric fields there is no facile means by which the helix periodicity can be adjusted, thereby allowing laser wavelength tuning, without adversely affecting the optical quality of the resonator. Therefore, in addition to studying the liquid crystal lasers, we have focused on finding a novel method with which to alter the periodicity of a chiral nematic using electric fields without inducing defects and degrading the optical quality factor of the resonator. This paper presents an overview of our research, describing (i) the correlation between laser output and material properties,(ii) the importance of the gain medium,(iii) multicolor laser arrays, and (iv) high slope efficiency (>60%) silicon back-plane devices. Overall we conclude that these materials have great potential for use in versatile organic laser systems.

Properties of electrons and holes during femtosecond cooperative emission

Spectral and energetic characteristics of the cooperative recombination of high density electrons and holes in bulk GaAs are experimentally studied at room temperature. It is shown that the properties and parameters of femtosecond superradiant pulses are conditioned by the collective properties of electrons and holes. Electron-hole pairing and the formation of a short-living coherent e-h BCS state distinguish strongly the regime of cooperative emission from all radiative e-h recombination regimes, which have been observed earlier. The dependences of the energy gap (the order parameter), the Fermi energy, and the band gap of the coherent e-h BCS state on the concentration of electron-hole pairs are obtained.

Quantum critical phenomena in the XY spin chain with the Dzyaloshinski-Moriya interaction (Retracted article. See vol 80, artn 019903, 2009)

We study the effects of the Dzyaloshinski-Moriya (DM) anisotropic interaction on the ground-state properties of the Heisenberg XY spin chain by means of the fidelity susceptibility, order parameter, and entanglement entropy. Our results show that the DM interaction could influence the distribution of the regions of quantum phase transitions and cause different critical regions in the XY spin model. Meanwhile, the DM interaction has effective influence on the degree of entanglement of the system and could be used to increase the entanglement of the spin system.

Determination of the macroscopic optical properties for the NAEC/PEK-c guest-host polymer films

The polyetherketone (PEK-c) guest-host polymer films doped with (4'-nitro)-3-azo-9-ethyl-carbazole (NAEC) were prepared. The films were poled by corona-onset poling at elevated temperature (COPET). The orientational order parameter of the chromophores NAEC in poled polymer film was determined by measuring the absorption spectra of the films before and after being poled. By using the two-level model, the measured dispersion of the refractive index of the polymer film, and the dispersion of the first hyperpolarizability of chromophore NAEC, the dispersion of the macroscopic second-order nonlinear optical (NLO) and linear electrooptic (EO) coefficients was evaluated for the NAEC/PEK-c guest-host polymer film. (C) 2001 Elsevier Science Ltd. All rights reserved.

Charge, orbital, and magnetic ordering in YBaFe2O5 from first-principles calculations

First principles calculations using the augmented plane wave plus local orbitals method, as implemented in the WIEN2k code, have been used to investigate the electronic and magnetic properties of YBaFe2O5, especially as regards the charge-orbital ordering. Although the total 3d charge disproportion is rather small, an orbital order parameter defined as the difference between t(2g) orbital occupations of Fe2+ and Fe3+ cations is large (0,73) and gives unambiguous evidence for charge and orbital ordering: Strong hybridization between O 2p and Fe e(g) states results in the nearly complete loss of the separation between the total charges at the Fe2+ and Fe3+ atoms.

A strategy for constructing a hybrid bilayer membrane based on a carbon substrate

We construct a hybrid bilayer membrane (HBM) on a new substrate-carbon electrode. It is an extension of HBM based on other substrates. Primary alkylamine was chemically modified onto the surface of a carbon electrode by electrochemical scans; thus, a monolayer was formed on the electrode. Because the alkane chains section is toward the outside, a hydrophobic surface was constructed. Then a lipid monolayer was spread on the hydrophobic surface of the carbon electrode. The formed HBM was characterized by electrochemical and ATR-FT-IR methods. From ATR-FT-IR results, the lipid order parameter (S) of 0.73 was obtained. This kind of hybrid membrane has the advantages of a lipid/alkanethiol HBM. A potential application of this HBM as a biosensor (detecting K+) was given.

First-passage time distribution and non-Markovian diffusion dynamics of protein folding

We study the kinetics of protein folding via statistical energy landscape theory. We concentrate on the local-connectivity case, where the configurational changes can only occur among neighboring states, with the folding progress described in terms of an order parameter given by the fraction of native conformations. The non-Markovian diffusion dynamics is analyzed in detail and an expression for the mean first-passage time (MFPT) from non-native unfolded states to native folded state is obtained. It was found that the MFPT has a V-shaped dependence on the temperature. We also find that the MFPT is shortened as one increases the gap between the energy of the native and average non-native folded states relative to the fluctuations of the energy landscape. The second- and higher-order moments are studied to infer the first-passage time distribution. At high temperature, the distribution becomes close to a Poisson distribution, while at low temperatures the distribution becomes a Levy-type distribution with power-law tails, indicating a nonself-averaging intermittent behavior of folding dynamics. We note the likely relevance of this result to single-molecule dynamics experiments, where a power law (Levy) distribution of the relaxation time of the underlined protein energy landscape is observed.

Paint-freeze method to form self-assembled alkanethiol/phospholipid bilayers on gold

A paint-freeze method for preparing self-assembled alkanethiol/phospholipid bilayers on a gold surface has been described (by cyclic voltammetry, a.c impedance, polarized FTIR-ATR) to be well-ordered and packed, stable, solvent-free bilayers. The lipid order parameter was 0.67, calculated from the dichroic ratio, consistent with a well-ordered lipid film in which the methylene groups have segmental flexibility and are disordered to a degree which is typical for a lipid bilayer in the liquid-crystalline phase. Such a supported membrane provides a useful way for studies in biophysics, physiology and electrochemistry.

A Phase-field Model for Computer Simulation of Lamellar Structure Formation in y-TiAI

In the present paper, a phase-field model is developed to simulate the formation and evolution of lamellar microstructure in γ-TiAl alloys. The mechanism of formation of TiAl lamellae proposed by Denquin and Naka is incorporated into the model. The model describes the formation and evolution of the face-centered cubic (fcc) stacking lamellar zone followed by the subsequent appearance and growth of the γ-phase, involving both the chemical composition change by atom transfer and the ordering of the fcc lattice. The thermodynamics of the model system and the interaction between the displacive and diffusional transformations are described by a non-equilibrium free energy formulated as a function of concentration and structural order parameter fields. The long-range elastic interactions, arising from the lattice misfit between the α, fcc (A1) and the various orientation variants of the γ-phase are taken into account by incorporating of the elastic strain energy into the total free energy. Simulation studies based on the model successfully predicted some essential features of the lamellar structure. It is found that the formation and evolution of the lamellar structure are predominantly controlled by the minimization of the elastic energy of the interfaces between the different fcc stacking groups, low-symmetry product phase γ and the high-symmetry α-phase, as well as between the various orientation variants of the product phase.

Spontaneous nucleation of structural defects in inhomogeneous ion chains

Structural defects in ion crystals can be formed during a linear quench of the transverse trapping frequency across the mechanical instability from a linear chain to a zigzag structure. The density of defects after the sweep can be conveniently described by the Kibble-Zurek mechanism (KZM). In particular, the number of kinks in the zigzag ordering can be derived from a time-dependent Ginzburg-Landau equation for the order parameter, here the zigzag transverse size, under the assumption that the ions are continuously laser cooled. In a linear Paul trap, the transition becomes inhomogeneous, since the charge density is larger in the center and more rarefied at the edges. During the linear quench, the mechanical instability is first crossed in the center of the chain, and a front, at which the mechanical instability is crossed during the quench, is identified that propagates along the chain from the center to the edges. If the velocity of this front is smaller than the sound velocity, the dynamics become adiabatic even in the thermodynamic limit and no defect is produced. Otherwise, the nucleation of kinks is reduced with respect to the case in which the charges are homogeneously distributed, leading to a new scaling of the density of kinks with the quenching rate. The analytical predictions are verified numerically by integrating the Langevin equations of motion of the ions, in the presence of a time-dependent transverse confinement. We argue that the non-equilibrium dynamics of an ion chain in a Paul trap constitutes an ideal scenario to test the inhomogeneous extension of the KZM, which lacks experimental evidence to date.

Structural Defects in Ion Chains by Quenching the External Potential: The Inhomogeneous Kibble-Zurek Mechanism

The nonequilibrium dynamics of an ion chain in a highly anisotropic trap is studied when the transverse trap frequency is quenched across the value at which the chain undergoes a continuous phase transition from a linear to a zigzag structure. Within Landau theory, an equation for the order parameter, corresponding to the transverse size of the zigzag structure, is determined when the vibrational motion is damped via laser cooling. The number of structural defects produced during a linear quench of the transverse trapping frequency is predicted and verified numerically. It is shown to obey the scaling predicted by the Kibble-Zurek mechanism, when extended to take into account the spatial inhomogeneities of the ion chain in a linear Paul trap.

Structural phase transitions in low-dimensional ion crystals

A chain of singly charged particles, confined by a harmonic potential, exhibits a sudden transition to a zigzag configuration when the radial potential reaches a critical value, depending on the particle number. This structural change is a phase transition of second order, whose order parameter is the crystal displacement from the chain axis. We study analytically the transition using Landau theory and find full agreement with numerical predictions by Schiffer [Phys. Rev. Lett. 70, 818 (1993)] and Piacente [Phys. Rev. B 69, 045324 (2004)]. Our theory allows us to determine analytically the system's behavior at the transition point.