Effects of confinement on static and dynamical properties of water

Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connection with experiments performed on water in Vycor and with studies of water in contact with proteins. The properties of confined water are studied as a function of both temperature and hydration level. The interaction of water in the film close to the substrate with the silica atoms induces a strong distortion of the hydrogen bond network. At high hydration levels a double dynamical regime is observed. At low hydration an anomalous diffusion is found upon supercooling with a transition from a Brownian to a non-Brownian regime on approaching the substrate in agreement with results found in studies of water in contact with globular proteins.Received: 1 January 2003, Published online: 14 October 2003PACS: 61.20.-p Structure of liquids - 61.20.Ja Computer simulation of liquid structure     

Comparison of the solutions from a novel variational method with numerical results for the study of beam propagation in a Kerr medium with nonlinear absorption

We present results from a novel variational method for the study of beam propagation in a Kerr medium with nonlinear absorption. This new method combines the variational method and a nonlinear absorption equation and gives a concise expression for the combination. The results obtained with this method show good quantitative agreement with numerical solutions obtained with the finite-difference method. It is shown that the variational method takes much less time than a numerical simulation with the finite-difference method for analysis of beam propagation in a thick medium with nonlinear absorption and nonlinear refraction. The new method makes detailed analysis of beam propagation in a Kerr medium with nonlinear absorption very simple and fast.     

A note on the Percus-Yevick and hypernetted chain theories of adsorption: The second and third virial coefficients for a hard-sphere gas in contact with a wall with a soft surface layer

The first three virial coefficients of a new type in the density expansion of the adsorption isotherm for hard spheres in contact with a wall with a soft surface layer are calculated. The results are compared with those for hard spheres in contact with a hard wall.     

Environment-induced decoherence I. The Stern-Gerlach measurement

A dynamical model for the collapse of the wave function in a quantum measurement process is proposed by considering the interaction of a quantum system (spin -1/2) with a macroscopic quantum apparatus interacting with an environment in a dissipative manner. The dissipative interaction leads to decoherence in the superposition states of the apparatus, making its behaviour classical in the sense that the density matrix becomes diagonal with time. Since the apparatus is also interacting with the system, the probabilities of the diagonal density matrix are determined by the state vector of the system. We consider a Stern-Gerlach type model, where a spin-1/2 particle is in an inhomogeneous magnetic field, the whole set up being in contact with a large environment. Here we find that the density matrix of the combined system and apparatus becomes diagonal and the momentum of the particle becomes correlated with a spin operator, selected by the choice of the system-apparatus interaction. This allows for a measurement of spin via a momentum measurement on the particle with associated probabilities in accordance with quantum principles.     

Topological defects and magnetization processes for the triangular lattice of ising particles with an antiferromagnetic interaction

For the frustrated triangular lattice of Ising magnetic moments with an antiferromagnetic interaction, which is in a state with two sublattices, a new type of topological defects with zero energy in the approximation of the interaction between only the nearest-neighbors has been found. These defects have a nonzero magnetic moment, and the magnetization in a low field occurs via the formation of a system of such defects. These properties are valid for a 2D superstructure in the form of a triangular lattice of single-domain magnetic particles with perpendicular anisotropy and dipole coupling.     

Negative stiffness of the FeAl intermetallic nanofilm

Uniaxial tension of the nanofilm of the FeAl intermetallic alloy has been simulated by the molecular dynamics method. It has been found that the nanofilm is elastically deformed by 37%. There is a region in the stress-strain curve, where the strain increases with a decrease in the tensile stress, which indicates the negative stiffness of the nanofilm in this region. The uniform strain with a decrease in the tensile stress is unstable thermodynamically, which leads to the appearance domains with different elastic strains in the nanofilm. The deformation in the unstable region develops due to the domain-wall motion; as a result, the domains with a higher strain grow at the expense of the domains with a lower strain. A similar deformation mechanism was recently described by Savin with coworkers for the DNA molecule.     

Mathematical modeling of random coupling between polarization modes in single-mode optical fibers: XII. Dependence of the zero drift in fiber ring interferometers in orthogonal polarization modes on the range of temperature variation in an optical fiber

Temperature dependences of the zero drift in a fiber ring interferometer (FRI) without a polarizer in the presence of random inhomogeneities in a single-mode optical fiber in the FRI loop are obtained by numerical simulation. The results are compared with known experimental data. It is shown that FRIs using a superluminescent diode as a source of nonmonochromatic radiation and a loop made of a single-mode optical fiber with weak linear birefringence can find application as low-accuracy fiber-optic gyroscopes and FRIs with a loop made of a single-mode optical fiber with strong linear birefringence can be used as medium-accuracy fiber-optic gyroscopes.     

High-frequency resonant blockade in one-dimensional quantum pump with oscillating potential wells

The conductance and the stationary current are studied in a one-dimensional quantum wire with a harmonically oscillating delta-potential barrier or well. It is shown that, in the structure with a single well, the conductance vanishes at certain parameters. This phenomenon is associated with the occurrence of quasi-energy states corresponding to the total and elastic reflection of particles from the well. The stationary photovoltaic current under an alternating field in a double-well structure is considered. It is shown that the derivative of the photovoltaic current with respect to the Fermi energy vanishes under the same conditions. The results for a system with a single well are generalized to the case of a one-dimensional lattice in the tight binding model with an oscillating level of one of its sites. It is shown that the problem of particle scattering by a three-dimensional short-range center with an oscillating potential is reduced to the corresponding one-dimensional problem.     

Quantum geometry and entanglement entropy of a black hole

We have studied here black hole entropy in the framework of quantum geometry. It is pointed out that the black hole radiation consistent with Hawking spectrum can be realized as an effect of quantum geometry using a dynamical formalism for diffeomorphism invariance which envisages a discretized unit of time in the Planck scale. This formalism suggests that torsion acts within a quantized area unit (area bit) associated with a loop and this eventually forbids the Hamiltonian constraint to be satisfied for a finite loop size. We assign a spin with torsion in each area bit and entanglement entropy of a black hole is computed in terms of the entanglement entropy of this spin system. We have derived the Bekenstein-Hawking entropy along with a logarithmic correction term with a specific coefficient. Also we have shown that the Bekenstein-Hawking entropy can be formulated in terms of the Noether charge associated with a diffeomorphism invariant Lagrangian.     

Heat bath coupling effects on interaction between Fröhlich vibration systems

The energy supplied to the Fröhlich vibration system in a living cell may condense in certain normal modes provided the coupling of the vibration system with a heat bath is nonlinear. The strong coupling of a coherent vibration system with a heat bath causes reduced energy condensation; high frequency modes are not excited and the energy condensed in the lowest frequency mode is smaller than the energy condensed in a system with weak coupling. The vibrations are polar and generate an electromagnetic field. The electromagnetic field mediates a long range interaction between the Fröhlich vibration systems; the interaction depends on the intensity of the generated electromagnetic field, and, therefore, on the energy condensed in the vibration system. The systems with strong coupling with a heat bath have weak interaction forces, which may be attractive as well as repulsive. The effect of coupling with a heat bath on interaction between the Fröhlich systems is a new contribution of this paper. The coherent vibration systems are assumed to be excited in protein molecules in cellular membranes. Protein phosphorylation may cause the strong Coulomb coupling of vibration systems with a heat bath and may have a fundamental effect on energy condensation.The work was supported, in part, by grant COST 244.     

Far-field sub-wavelength imaging and focusing using a wire medium based resonant metalens

This is the second article in a series of two dealing with the concept of a ‘resonant metalens’ we introduced recently. This is a new type of lens capable of coding in time and radiating efficiently in the far-field region sub-diffraction information about an object. A proof of the concept of such a lens is performed in the microwave range, using a medium made out of a square lattice of parallel conducting wires with finite length. We investigate a sub-wavelength focusing scheme with time reversal and demonstrate experimentally spots with focal widths of λ/25. Through a cross-correlation based imaging procedure we show an image reconstruction with a resolution of λ/80. Eventually we discuss the limitations of such a lens which reside essentially in losses.     

Mössbauer Investigations of MDAS Diamond Powder

Metal inclusions in synthetic MDAS diamond grits were investigated by Mössbauer spectroscopy as a function of the grit size. The larger grit sizes show a nicely developed sextet, which collapses to a paramagnetic singlet with decreasing grit size. This superparamagnetic behavior shows that the metal inclusions are of the order of 10 nm in size, and become larger with the grit size. One grit which was showing the collapse was further investigated from 300 K down to 4 K. Part of the paramagnetic singlet unfolds to a sextet with B_hf ～33T, while another part unfolds with a narrower hyperfine magnetic field of ～4T and is associated with the paramagnetic phase that coexists with a ferromagnetic phase in Invar at higher temperatures. A singlet with an isomer shift of about 1.1 mm/s is associated with similar findings in catalysts with iron particles supported on carbonaceous materials.     

Experimental nonlinear interference comb spectroscopy

A means of nonlinear interferential comb spectroscopy with increased sensitivity is propsed. Radiation from the comb-generator of a femtosecond laser is focused at the center of a cell with vapors of rubidium atoms, mounted in an arm of a Michelson interferometer. This technique is an improvement of Rozhdestvenski hooks method, with digital registration by the detectors on a CCD array being substituted for the photographic registration of interferograms, resulting in increased interferometric sensitivity (holographic interferometry). A primary spectrogram is processed in digital form on a dual-beam interferometer equipped with a phase modulator to improve sensitivity with the possibility of an a posteriori increase in interferometric sensitivity. Dispersive signals appear in the interferogram spectrogram on two-photon absorption lines when the pumping radiation is focused at the center of a cell with Rb vapors. Nonlinear processes of coherent radiation due to nonlinear interference effects are studied. Numerical simulations are performed that confirm the proposed theoretical model.     

Focusing of explosion waves: Three-dimensional mathematical modeling

The propagation and focusing explosionlike waves in a cubic volume filled with a gas was considered. The wave is generated by the expansion of a small volume of a gas with enhanced parameters located at different points inside the cube. This formulation of the problem simulates the process initiated by an explosion in a volume filled with a gas and the character of loading on the walls of the volume. 3D calculations of the propagation and cumulation of explosion waves with a short positive phase were performed for the first time. The results can be used in analyzing experiments aimed at modeling the initiation of combustion by the waves generated by a primary source in closed volumes with complex geometry.     

Coherent scattering with pulsed matter beams

We present a quantum theory for the interaction of a quantum target with a time dependent matter beam. When several pulses in the incident beam arrive with a period tau, transitions between levels with an energy difference h/tau can be enhanced. Unlike all previous studies, we find that transitions in passive targets can distinguish between an incoherent beam and a beam with a coherent wave packet structure. As an example, we calculate the transition probability of Rb Rydberg atoms interacting with a pulsed electron beam.     

Optimal Force Mismatch for Fluctuation-Activated Transition in a System of Two Coupled Bistable Oscillators

We study the fluctuation-activated transition process in a system of two coupled forced bistable oscillators with a mismatch σ in the force constants. As the coupling strength μ is increased, the transition pathway undergoes four stages changes from a two-step process with two candidate pathways to a mixture of a two-step pathway and a one-step pathway to a one-step process with also two candidate pathways and then to a one-step process with a single pathway.Interestingly, we find that the total transition rate depends nonmonotonically on σ in the weak coupling: a maximal rate appears in an intermediate magnitude of σ. Moreover, the rate also exhibits an unexpected maximum as a function ofμ. The results are in an excellent agreement with our numerical simulations by forward flux sampling.     

The non-stationary freefield response for a moving load with a random amplitude

This paper presents a stochastic solution procedure for the calculation of the non-stationary freefield response due to a moving load with a random amplitude. In this case, a non-stationary autocorrelation function and a time-dependent spectral density are required to characterize the response at a fixed point in the freefield. The non-stationary solution is derived from the solution in the case of a moving load with a deterministic amplitude. It is shown how the deterministic solution can be calculated in an efficient way by means of integral transformation methods if the problem geometry exhibits a translational invariance in the direction of the moving load. A key ingredient is the transfer function between the source and the receiver that represents the fundamental response in the freefield due to an impulse load at a fixed location. The solution in the case of a moving load with a random amplitude is formulated in terms of the double forward Fourier transform of the non-stationary autocorrelation function. The solution procedure is illustrated with an example where the non-stationary autocorrelation function and the time-dependent standard deviation of the freefield response are computed for a moving harmonic load with a random phase shift. The results are compared with the response in the deterministic case.     

Geometry in transition: a model of emergent geometry

We study a three matrix model with global SO(3) symmetry containing at most quartic powers of the matrices. We find an exotic line of discontinuous transitions with a jump in the entropy, characteristic of a 1st order transition, yet with divergent critical fluctuations and a divergent specific heat with critical exponent alpha=1/2. The low temperature phase is a geometrical one with gauge fields fluctuating on a round sphere. As the temperature increased the sphere evaporates in a transition to a pure matrix phase with no background geometrical structure. Both the geometry and gauge fields are determined dynamically. It is not difficult to invent higher dimensional models with essentially similar phenomenology. The model presents an appealing picture of a geometrical phase emerging as the system cools and suggests a scenario for the emergence of geometry in the early Universe.     

Effect of surface defects on radiative interband recombination in silicon nanocrystals highly doped with hydrogen-like impurities

The role of surface defects at the Si nanocrystal boundary during the process of interband radiative recombination is studied in the case in which nanocrystals are doped with hydrogen-like impurities with shallow energy levels. It is shown that, in the case of a nonpassivated surface with a large number of dangling bonds, the rate of radiative transitions in nanocrystals doped with donors can be larger than that in nondoped crystallites. On the other hand, doping with acceptors leads to a decrease in the rate of transitions. In the case of a completely passivated surface, the recombination rate remains almost unchanged irrespective of the type of dope.     

High-frequency instability of wave fronts

Experimental evidence is presented that a lateral instability of a wave front, as described earlier in a chemically active medium with the Belousov-Zhabotinsky reaction with decreased excitability, can also occur in a medium with any degree of excitability provided that a high-frequency wave train travels through the medium. The interaction of chemical waves with the boundary of the medium can result in the appearance of wave breaks and spiral waves.