Sagnac interferometry as a probe to the commutation relation of a macroscopic quantum mirror

Single photon Sagnac interferometry as a probe to macroscopic quantum mechanics is considered at the theoretical level. For a freely moving macroscopic quantum mirror susceptible to radiation pressure force inside a Sagnac interferometer, a careful analysis of the input-output relation reveals that the particle spectrum readout at the bright and dark ports encode information concerning the noncommutativity of position and momentum of the macroscopic mirror. A feasible experimental scheme to probe the commutation relation of a macroscopic quantum mirror is outlined to explore the possible frontier between classical and quantum regimes. In the Appendix, the case of Michelson interferometry as a feasible probe is also sketched.

Implication of scaling hierarchy associated with nonequilibrium: field and particulate

The advent of nanotechnology has necessitated a better understanding of how material microstructure changes at the atomic level would affect the macroscopic properties that control the performance. Such a challenge has uncovered many phenomena that were not previously understood and taken for granted. Among them are the basic foundation of dislocation theories which are now known to be inadequate. Simplifying assumptions invoked at the macroscale may not be applicable at the micro- and/or nanoscale. There are implications of scaling hierrachy associated with in-homegeneity and nonequilibrium. of physical systems. What is taken to be homogeneous and equilibrium at the macroscale may not be so when the physical size of the material is reduced to microns. These fundamental issues cannot be dispensed at will for the sake of convenience because they could alter the outcome of predictions. Even more unsatisfying is the lack of consistency in modeling physical systems. This could translate to the inability for identifying the relevant manufacturing parameters and rendering the end product unpractical because of high cost. Advanced composite and ceramic materials are cases in point. Discussed are potential pitfalls for applying models at both the atomic and continuum levels. No encouragement is made to unravel the truth of nature. Let it be partiuclates, a smooth continuum or a combination of both. The present trend of development in scaling tends to seek for different characteristic lengths of material microstructures with or without the influence of time effects. Much will be learned from atomistic simulation models to show how results could differ as boundary conditions and scales are changed. Quantum mechanics, continuum and cosmological models provide evidence that no general approach is in sight. Of immediate interest is perhaps the establishment of greater precision in terminology so as to better communicate results involving multiscale physical events.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by “GAMESS”, and the rest atoms are treated as MM part calculated by “TINKER”. The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with theQMpart with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(1 0 0) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the imidazole rings are attached to the substrate more tightly than other bases in this peptide.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by "GAMESS", and the rest atoms are treated as MM part calculated by "TINKER". The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with the QM part with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(100) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the in-tidazole rings are attached to the substrate more tightly than other bases in this peptide.

Non-commutative oscillator with Kepler-type dynamical symmetry

A 3-dimensional non-commutative oscillator with no mass term but with an appropriate momentum-dependent potential admits a conserved Runge-Lenz vector, derived from the dual description in momentum space. The trajectories lie on ellipses. The dynamical symmetry allows for an algebraic determination of the bound-state spectrum and extends to o(4,2). (c) 2010 Elsevier B.V. All rights reserved.

Coherent classical-path description of deep tunneling

A central challenge to the semiclassical description of quantum mechanics is the quantum phenomenon of "deep" tunneling. Here we show that real time classical trajectories suffice to account correctly even for deep quantum tunneling, using a recently formulated semiclassical initial value representation series of the quantum propagator and a prefactor free semiclassical propagator. Deep quantum tunneling is effected through what we term as coherent classical paths which are composed of one or more classical trajectories that lead from reactant to product but are discontinuous along the way. The end and initial phase space points of consecutive classical trajectories contributing to the coherent path are close to each other in the sense that the distance between them is weighted by a coherent state overlap matrix element. Results are presented for thermal and energy dependent tunneling through a symmetric Eckart barrier.

Structure-activity relationships for antiplasmodial activity among aminoquinolines

The extended gravitational index G(Q) and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSAR models. And the quasi-newton neural networks were employed with better results.

Design of quantum cascade microcavity lasers based on Q factor versus etching depth

The choice of the etching depth for semiconductor microcavities is a compromise between a high Q factor and a difficult technique in a practical fabricating process. In this paper, the influences of the etching depth on mode Q factors for mid-infrared quantum cascade microcylinder and microsquare lasers around 4.8 and 7.8 mu m are simulated by three-dimensional (3D) finite-difference time-domain (FDTD) techniques. For the microcylinder and the microsquare resonators, the mode Q factors of the whispering-gallery modes (WGMs) increase exponentially and linearly with the increase in the etching depth, respectively Furthermore, the mode Q factors of some higher order transverse WGMs may be larger than that of the fundamental transverse WGM in 3D microsquares. Based on the field distribution of the vertical multilayer slab waveguide and the mode Q factors versus the etching depth, the necessary etching depth is chosen at the position where the field amplitude is 1% of the peak value of the slab waveguide. In addition, the influences of sidewall roughness on the mode Q factors are simulated for microsquare resonators by 2D FDTD simulation. (C) 2009 Optical Society of America

Analysis of mode characteristics for deformed square resonators by FDTD technique

The mode frequencies and quality factors (Q-factors) in two-dimensional (2-D) deformed square resonators are analyzed by finite-difference time-domain (FDTD) technique. The results show that the deformed square cavities with circular and cut corners have larger Q-factors than the perfect ones at certain conditions. For a square cavity with side length of 2 mu m and refractive index of 3.2, the mode Q-factor can increase 13 times as the perfect corners are replaced by a quarter of circle with radius of 0.3 pm. Furthermore the blue shift with the increasing deformations is found as a result of the reduction in effective resonator area. In square cavities with periodic roughness at sidewalls which maintains the symmetry of the square, the Q-factors of the whisperin gallery (WG)-like modes are still one order of magnitude larger that those of non-WG-like modes. However, the Q-tactors of these two types of modes are of the same order in the square cavity with random roughness. We also find that the rectangular and rhombic deformation largely reduce the Q-factors with the increasing offset and cause the splitting of the doubly degenerate modes due to the breaking of certain symmetry properties.

Effect of phase relaxation on quantum superpositions in complex collisions

We study the effect of phase relaxation on coherent superpositions of rotating clockwise and anticlockwise wave packets in the regime of strongly overlapping resonances of the intermediate complex. Such highly excited deformed complexes may be created in binary collisions of heavy ions, molecules, and atomic clusters. It is shown that phase relaxation leads to a reduction of the interference fringes, thus mimicking the effect of decoherence. This reduction is crucial for the determination of the phase-relaxation width from the data on the excitation function oscillations in heavy-ion collisions and bimolecular chemical reactions. The difference between the effects of phase relaxation and decoherence is discussed.

Work Softening And Annealing Hardening Of Deformed Nanocrystalline Nickel

We reported that work softening takes place during room-temperature rolling of nanocrystalline Ni at an equivalent strain of around 0.30. The work softening corresponds to a strain-induced phase transformation from a face-centered cubic (fcc) to a body-centered cubic (bcc) lattice. The hardness decreases with increasing volume fraction of the bcc phase. When the deformed samples are annealed at 423 K, a hardening of the samples takes place. This hardening by annealing can be attributed to a variety of factors including the recovery transformation from the bcc to the fcc phase, grain boundary relaxation, and retardation of dislocation gliding by microtwins.

Third harmonic enhancement due to Fano interference in semiconductor quantum well

We investigate the emission spectra of the semiconductor quantum well for few-cycle and sub-cycle pulse exciting. We find that Fano interference may induce third harmonic enhancement. Third harmonic enhancement varies with the magnitude and duration of the incident pulse, and may be enhanced by approximately one order of magnitude for the low intensity region of the sub-cycle incident pulse exciting.

A planar waveguide Nd : YAG laser using active Q-switching of a hybrid unstable resonator

A planar waveguide laser operating in a negative branch unstable resonator is Q-switched by an acoustooptic mod latorin anew configuration, providing effective, high-speed switching. The laser using a 200-mu m Nd:YAG core, face pumped by 10 laser diode bars, has produced 100-W output in a good beam quality at 100-kHz pulse rate, and 4.5 mJ at lower frequency with 15-ns pulse duration.