Specific Heat Properties of Proton Transfer in Hydrogen Bonded Systems

The thermodynamic properties of proton transport along hydrogen-bonded systems at finite temperatures have been studied by our model. We first derive the dynamic equations of the proton transport and find the solutions and the free energy of the systems. Finally, we obtain the specific heats of the hydrogen bonded systems, resulting from the motion of the soliton, by using transfer integral way. The theoretical value is basically consistent with the experimental data.     

Renormalization of Tripartite Entanglement in Spin Systems with Dzyaloshinskii–Moriya Interaction

Quantum entanglement represents a fundamental feature of quantum many-body systems. We combine tripartite entanglement with quantum renormalization group theory to study the quantum critical phenomena. The Ising model and the Heisenberg X X Z model in the presence of the Dzyaloshinskii–Moriya interaction are adopted as the research objects. We identify that the tripartite entanglement can signal the critical point. The derivative of tripartite entanglement shows singularity as the spin chain size increases. Furthermore, the intuitive scaling behavior of the system selected is studied and the result allows us to precisely quantify the correlation exponent by utilizing the power law.     

The C-O Stretching Infrared Band as a Probe of Hydrogen Bonding in Ethanol–Water and Methanol–Water Mixtures

Infrared spectra of the ethanol–water and methanol–water mixtures in the mole fraction range of 0.1 to 0.9 were recorded in the attenuated reflection (ATR) mode. Traditionally, the hydrogen bonding of water with other molecules has been studied by investigation of the OH stretching band frequencies and intensities of water. However, in the case of alcohol–water mixtures, this procedure presents a problem due to the complete overlap of the hydroxyl absorptions from the alcohol and water. In the present study, we have adopted an alternative approach of understanding the ethanol–water and methanol–water hydrogen bonds through the analysis of the C-O stretching band. The intrinsic high intensity of the C-O band and nearly complete absence of its overlap with the water bands make it a good candidate for the study of hydrogen bonding interactions in alcohol–water mixtures. The integrated areas of the C-O stretching band versus mole fractions were plotted for both mixtures. In the case of methanol–water mixtures, the C-O stretching band area plot was linear, whereas such plot for the ethanol–water mixtures had two distinct slopes that switched at the 0.5 mole fraction. The C-O band plot areas were used to explain the molecular associations in the mixtures studied.     

Hydrogen Bonding Interactions in Miscible Blends of Poly(hydroxyether ester)s with Poly(N‐vinyl pyrrolidone)

Studies on the miscibility and intermolecular specific interactions in the blends of two structurally similar poly(hydroxyether ester)s, poly(hydroxyether terephthalate ester) (PHETE), and poly(hydroxyether benzoate) (PHEB) with poly(4‐vinyl pyrrolidone) (PVPy) are reported. In the miscible blends there are intermolecular specific interactions between PHEEs and PVPy. It was found that intercomponent hydrogen‐bonding interactions in PHETE/PVPy blends are much stronger than those in PHEB/PVPy blends. It seems that the higher ratio of hydroxyl to carbonyl groups results in the stronger intermolecular hydrogen bonding interactions. The difference in intermolecular specific interactions between the two miscible systems is interpreted on the basis of the impact of macromolecular structures on intermolecular specific interactions. The structural characteristics of macromolecular chains, such as chain connectivity, accessibility (or screening effect), and rigidity of the macromolecular chains have a profound effect on the intermolecular interactions. These factors constitute steric hindrance and reduce the specific interactions among functional groups. These factors can become dominant in the blends of polymers.     

Frequency Resonance in Stochastic Systems

The phenomenon of frequency resonance,which is usually related to deterministic systems.is investigated in stochastic systems.We show that for those autonomous systems driven only by white noise,if the output power spectrum exhibits a nonzero peak frequency,then applying a periodic signal just on this noise-induced central frequency can also induce a resonance phenomenon,which we call the frequency stochastic resonance.The effect of such a resonance in a coupled stochastic system is shown to be much better than that in a single-oscillator system.     

Bonding in the metallic molecular solid α-Gallium

ABSTRACT

Solid, liquid and alloyed phases of gallium play a role in a variety of important technological applications. While many of the gallium phases involved in these applications are metallic, some have been proposed or are known to contain covalently bound Ga dimers. Thus, understanding the nature of bonding in Ga is crucial to the development of Ga-based materials. The solid phase of gallium at ambient conditions, α-Ga, is metallic and composed of molecular dimers, and can serve as a testing ground for studying gallium bonding with electronic structure calculations. We use density functional theory-based molecular dynamics simulations in conjunction with maximally localised Wannier functions to examine the nature of chemical bonding in α-Ga. We propose a geometric criterion for defining various bonding environments, which enables the quantification of covalent and weak bonds in solid gallium. We additionally connect the bonding structure of α-Ga to its phonon density of states and discuss similarities and differences with diatomic halogen crystals.     

In situ 1H NMR Study of Nanoreactor Interaction NH3–H2O in Zeolite Nanopores

The interaction between ammonium NH₃ and H₂O molecules in zeolitic nanopores is studied by in situ ¹H nuclear magnetic resonance (NMR) method. The powder and single crystal samples of natural zeolites, heulandites Ca₄[Al₈Si₂₈O₇₂]·24H₂O and clinoptilolite (Na, K,Ca_1/2)₆[Al₆Si₃₀O₇₂], were used as the model system. It is shown that penetration of NH₃ into the zeolitic nanopores is accompanied by disordering of the hydrogen sublattice of zeolitic water and by the fast proton exchange NH₃ + H₂O ? [NH₄]⁺ + [OH]^? characterized by correlation frequency v _c = ~40 kHz. Another nanoreactor interactions are represented by interaction of [NH₄]⁺ ions with exchangeable Na⁺ and Ca²⁺ ions of the zeolitic structure. The slow ionic exchange [NH₄]⁺ → [Na,Ca_1/2]⁺ and binding of [NH₄]⁺ in cationic sites of the framework were visualized by NMR spectroscopy along with stepwise release of (Na,Ca_1/2)OH from zeolitic pores to the external surface of zeolite grains.     

The Strong Interaction in Chromodynamics Ⅱ

A static soliton solution is obtained from the field equations of chromodynamics. The relativistic wave equation for meson states in which the quark and antiquark interact through the intermediary of this gluon field gives rise. to the same wavefunction and mass spectra obtained before under the independent particle approximation. The calculated values of mass difference of η_c and Ψ/J particles and mass difference of Ψ(3685) and Ψ(3770) due to spin-dependent part of the interaction are in good agreement with the experiment.     

Bonding in a-Si1−xCx: H films studied by electron energy loss near edge structure

Electron energy loss spectra of films of amorphous alloys of silicon and carbon were studied. Various compositions of hydrogenated alloys were prepared by glow discharge decomposition of silane and methane mixtures and a control film was prepared by rapid evaporation of crystalline silicon carbide. The near edge structure of the Si Ledge revealed chemical shifts from which bonding information was obtained. The glow discharge specimens showed a variety of local environments for silicon whereas the evaporated specimen showed almost complete heteronuclear bonding. The carbon K edge showed the presence of π¹ peaks associated with three fold coordinated carbon in all cases. The amount of this carbon could be reduced in glow discharge films by increasing the growth temperature.     

Hydrogen Atom Spectrum in Noncommutative Phase Space

We study the energy levels of the hydrogen atom in the noncommutative phase space with simultaneous spacespace and momentum-momentum noncommutative relations, We find new terms compared to the case that only noncommutative space-space relations are assumed. We also present some comments on a previous paper [Alavi S A hep-th/0501215].     

Microstructure of Bonding Zones in Laser Clad TiC-reinforced Coating

１ＩｎｔｒｏｄｕｃｔｉｏｎＬａｓｅｒｃｌａｄｄｉｎｇｏｆｃａｒｂｉｄｅｍｅｔａｌｃｏｍｐｏｓｉｔｅｃｏａｔｉｎｇｓｉｓａｐｒｏｍｉｓｉｎｇｔｅｃｈｎｏｌｏｇｙｆｏｒｍａｎｕｆａｃｔｕｒｉｎｇｗｅａｒｒｅｓｉｓｔａｎｔｓｕｒｆａｃｅｌａｙｅｒｓｆｏｒ...     

Ramsauer–Townsend Effect in Solid Hydrogen

The TRIUMF E742 experiment has measured the energy dependence of the scattering cross-sections of muonic deuterium and tritium on hydrogen molecules for collisions in the energy range 0.1–45 eV. The experimental setup permits the creation of muonic atom (μd or μt) beams. The multilayered target system gives the possibility to choose the type of interactions to study and to isolate a particular interaction. The scattering of μd or μt beams on H₂ is analyzed via the muon transfer reaction to neon. The time-of-flight method is used to measure the scattering cross section as a function of the energy of the muonic atom beam. The results are compared, using Monte Carlo simulations, with theoretical calculations which have been recently performed with high accuracy. This revised version was published online in August 2006 with corrections to the Cover Date.     

Projective Synchronization in Time-Delayed Chaotic Systems

For the first time, we report on projective synchronization between two time delay chaotic systems with single time delays. It overcomes some limitations of the previous work, where projective synchronization has been investigated only in finite-dimensional chaotic systems, so we can achieve projective synchronization in infinitedimensional chaotic systems. We give a general method with which we can achieve projective synchronization in time-delayed chaotic systems. The method is illustrated using the famous delay-differential equations related to optical bistability. Numerical simulations fully support the analytical approach.     

Quantum State Transfer in Trapped-Ion-Cavity Systems

We study the information transfer and entanglement transfer in a system consisting of single trapped ions in cavities by the three-mode cross-Kerr-like interaction among the cavity field （photons）, the centre-of-mass motion （phonons） and the internal state of the trapped ion in the Lamb-Dicke and large detuning regime.     

Resonance Interaction Energy in κ-Minkowski Spacetime

If gravity is quantized, one of the consequences may be that the spacetime coordinates are quantized and become noncommutative. The κ-Minkowski spacetime is such kind of noncommutative spacetime. In this paper, the resonance interaction energy of a two-atom system coupled with a fluctuating vacuum scalar field in the κ-Minkowski spacetime is studied. It is found that the resonance interaction energy is dependent on the interatomic separation, the transition wavelength of the atoms, and the spacetime non-commutativity. When the interatomic separation is small compared with a characteristic length determined by the spacetime non-commutativity parameter and the transition wavelength, the resonance interaction energy is that in the Minkowski spacetime plus a correction due to the spacetime non-commutativity. When the interatomic separation is comparable to or larger than the characteristic length, the resonance interaction energy cannot be organized in the form of a Minkowski term plus a correction, which indicates that the long-range behavior of the vacuum in the κ-Minkowski spacetime is fundamentally different from that in the Minkowski spacetime.     

Autocorrelation Function of Hydrogen Atoms in Magnetic Fields

The autocorrelation function is an important quantity that can reflect the dynamical properties of the Rydberg wave packet and can be measured in experiments. Applying time-dependent perturbation theory and rotating wave approximation, we derive the autocorrelation function of the double-pulse laser describing the evolution of a Rydberg wave packet of hydrogen atoms in magnetic fields. The resulting expression is written as a sum of the modified Caussian terms. Each Caussian term comes from a parent semiclassical closed orbit. It provides a direct explanation and experimentally controllable measurement scheme, which allows us therefore to recognize the closed orbit and to determine its returning time in high precision.     

Frequency—Locking in Coupled Chaotic Systems

A novel approach is presented for measuring the phase synchronization(frequency-Locking)of coupled N nonidentical oscillators,which can characterize frequency-locking for chaotic systems without well-defined phase by measuring the mean frequency.Numerical simulations confirm the existence of frequency-locking.The relations between the mean frequency and the coupling strength and the frequency mismatch are given.For the coupled hyperchaotic systems.the frequency-locking can be better characterized by more than one mean frequency curves.     

Different Types of Synchronization in Time-Delayed Systems

We investigate different types of synchronization between two unidirectionally nonlinearly coupled identical delay- differential systems related to optical bistable or hybrid optical bistable devices. This system can represent some kinds of delay-differential models, i.e. Ikeda model, Vall~e model, sine-square model, Mackey Glass model, and so on. We find existence and sufficient stability conditions by theoretical analysis and test the correctness by＂ numerical simulations. Lag, complete and anticipating synchronization are observed, respectively. It is found that the time-delay system can be divided into two parts~ one is the instant term and the other is the delay term. Synchronization between two identical chaotic systems can be derived by adding a coupled term to the delay term in the driven system.     

Squeezing and Entanglement in Continuous Variable Systems

Based on total variance of a pair of Einstein-Podolsky-Rosen (EPR) type operators, the generalized EPR entangled states in continuous variable systems are defined. We show that such entangled states must correspond to two-mode squeezing states whether these states are Gaussian or not and whether they are pure or not. With help of the relation between the total variance and the entanglement, the degree of such entangIement is also defined. Through analysing some specific cases, we see that this method is very convenient and easy in practical applications. In addition, an entangled state with no squeezing is studied, which reveals that there certainly exists something unknown about entanglement in continuous variable systems.