Theory of thermal remagnetization of permanent magnets

A self-consistent mean-field theory explaining the thermal remagnetization (TR) of polycrystalline permanent magnets is given. The influence of the environment of a grain is treated by an inclusion approximation, relating the field inside the grain to the local field outside by means of an internal demagnetization factor n. For the switching fields and the fluctuations of the local fields around the mean field, Gaussian distributions of widths σ_s, and σ_f, respectively, are assumed. The isothermal hysteresis curve, the recoil curves, and the TR dependent on the model parameters n, σ_s, and σ_f are calculated. Furthermore, the influence of the initial temperature and the strong dependence of the TR on the demagnetization factor of the sample are studied, and it is shown that for reasonable parameter sets TR effects up to 100% are possible. The theoretical results correspond well with the experimental situation.     

Stereodynamics of the reactions Ne+H2+/Ne+D2+/Ne+T2

The vector correlations between products and reagents for the reactions Ne+H + 2 , Ne+D + 2 , and Ne+T + 2 are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lü et al. [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections (2π/σ)(dσ 00 /dω t ), (2π/σ)(dσ 20 /dω t ), (2π/σ)(dσ 22+ /dω t ), and (2π/σ)(dσ 21 /dω t ), and the distributions of P (θ r ), P (φ r ), and P (θ r ,φ r ) are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.     

Skyrme Sphalerons of an O(3)-σ Model and the Calculation of Transition Rates at Finite Temperature

The reduced O(3)-σ model with an O(3)-σ→ O(2) symmetry breaking potential is considered with an additional Skyrmionic term, i.e. a totally antisymmetric quartic term in the field derivatives. This Skyrme term does not affect the classical static equations of motion which, however, allow an unstable sphaleron solution. Quantum fluctuations around the static classical solution are considered for the determination of the rate of thermally induced transitions between topologically distinct vacua mediated by the sphaleron. The main technical effect of the Skyrme term is to produce an extra measure factor in one of the flucuation path integrals which is therefore evaluated using a measuremodified Fourier-Matsubara decomposition (this being one of the few cases permitting this explicit calculation). The resulting transition rate is valid in a temperature region different from that of the original Skyrme-less model, and the crossover from transitions dominated by thermal fluctuations to those dominated by tunneling at the lower limit of this range depends on the strength of the Skyrme coupling.     

Exact short time dynamics for steeply repulsive potentials

The autocorrelation functions for the force on a particle, the velocity of a particle and the transverse momentum flux are studied for the power law potential v(r)=ε(σr)^ν (soft spheres). The latter two correlation functions characterize the Green–Kubo expressions for the self-diffusion coefficient and shear viscosity. The short-time dynamics is calculated exactly as a function of ν. The dynamics is characterized by a universal scaling function S(τ), where τ=t/τ_ν and τ_ν is the mean time to traverse the core of the potential divided by ν. In the limit of asymptotically large ν this scaling function leads to delta function in time contributions in the correlation functions for the force and momentum flux. It is shown that this singular limit agrees with the special Green–Kubo representation for hard-sphere transport coefficients. The domain of the scaling law is investigated by comparison with recent results from molecular dynamics simulation for this potential.     

The chiral magnetic effect and chiral symmetry breaking in <Emphasis Type="Italic">SU</Emphasis>(3) quenched lattice gauge theory

We study some properties of the non-Abelian vacuum induced by strong external magnetic field. We perform calculations in the quenched SU(3) lattice gauge theory with tadpole-improved Lüscher-Weisz action and chirally invariant lattice Dirac operator. The following results are obtained: The chiral symmetry breaking is enhanced by the magnetic field. The chiral condensate depends on the strength of the applied field as a power function with exponent ν = 1.6 ± 0.2. There is a paramagnetic polarization of the vacuum. The corresponding susceptibility and other magnetic properties are calculated and compared with the theoretical estimations. There are nonzero local fluctuations of the chirality and electromagnetic current, which grow with the magnetic field strength. These fluctuations can be a manifestation of the Chiral Magnetic Effect.     

Electronic transport properties of bismuth nanobridges through silicon-nitride membranes

The electronic transport through nanostructured bismuth nanobridges has been investigated at low temperatures (T<2 K) and in magnetic fields B up to 8.5 T. The samples show reproducible resistance fluctuations as a function of B, superimposed on a large magnetoresistance of up to 50%. In addition, time-dependent resistance fluctuations in zero magnetic field demonstrate the presence of bistable scatterers in the constriction region of our samples, which are described by two-level systems. Their dynamics are shown to be sensitive to subtle modifications of the static scatterer configuration in their vicinity, which cannot be detected in the sample magnetofingerprint.     

Nonlinear conductance fluctuations in a mesoscopic ring

We study the conductance of a single particle on a ring subject to an arbitrary dc electric field, which is generated by a linearly in time increasing magnetic flux. The full quantum mechanical time development is calculated numerically by splitting the dynamics into independent consecutive Zener tunneling transitions and free motion on the ring. The Zener transitions occur near the avoided crossings of the bandstructure which arises from the adiabatic eigenstates as a function of flux in the presence of a static scattering potential. To account for the necessary dissipation the particle is coupled to an appropriate oscillator bath which is adjusted to give a strictly linear current-voltage characteristic for arbitrary voltage and temperature in the absence of scattering. Taking a single δ-function scatterer we find that the dissipative coupling eliminates the localization in energy space found previously and leads to a well defined resistive steady state. The scattering introduces reproducible fluctuations around the average Ohmic behavior which are caused by coherent backscattering. Their magnitude depends on the strength of the scattering potential and decays slowly for large voltages. The associated correlation energy is determined by the uncertainty of the eigenstates due to the dissipative bath coupling. Thermal averaging leads to a decrease of the conductance fluctuations proportional to T^?1.     

Ground states of the hydrogen molecule and its molecular ion in the presence of a magnetic field using the variational Monte Carlo method

ABSTRACT

By using the variational Monte Carlo (VMC) method, we calculated the 1sσ_g-state energies, the dissociation energies, and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field regime between 0 and 10?a.u. The present calculations are based on using two types of compact and accurate trial wave functions, which are put forward for consideration in calculating energies in the absence of a magnetic field. The obtained results are compared with the most recent accurate values. We conclude that the applications of the VMC method can be successfully extended to cover the case of molecules under the effect of a magnetic field.     

Transmission of polar substituent effects across the cubane ring system: 19F substituent chemical shifts (SCS) of 4‐substituted (X) cub‐1‐yl fluorides revisited

¹⁹F NMR shieldings of 4‐substituted (X) cub‐1‐yl fluorides ( 4 ) for a set of substituents (X?H, NO₂, CN, NC, CF₃, COOH, F, Cl, HO, NH₂, CH₃, Si(CH₃)₃, Li, O^? and NH) covering a wide range of electronic substituent effects were calculated using the DFT‐GIAO theoretical model. The level of theory, B3LYP/6‐311+G(2d,p), provided ¹⁹F substituent chemical shifts (SCS) in good agreement with experimental values where known. By means of NBO analysis, various molecular parameters were obtained from the optimized geometries. Linear regression analysis was employed to explore the relationship between the calculated ¹⁹F SCS and polar field, resonance and group electronegativity substituent constants (σ_F, σ_R and σ_x, respectively) and also the NBO derived molecular parameters (fluorine natural charges (Q_n), electron occupancies on fluorine of lone pairs (n_F) and occupation number of the C? F antibonding orbital (σ_CF*)). The key determining parameters appear to be n_F and σ_CF*(occup). Both factors are a function of the electrostatic field influence of the substituent (σ_F effect) but are counteractive in their influence on the shifts. No evidence for a significant resonance effect influence on the shifts could be identified. Copyright © 2009 John Wiley & Sons, Ltd.     

Phase transitions of quasistationary states in the Hamiltonian Mean Field model

The out-of equilibrium dynamics of the Hamiltonian Mean Field (HMF) model is studied in presence of an externally imposed magnetic field h. Lynden-Bell’s theory of violent relaxation is revisited and shown to adequately capture the system dynamics, as revealed by direct Vlasov based numerical simulations in the limit of vanishing field. This includes the existence of an out-of-equilibrium phase transition separating magnetized and non magnetized phases. We also monitor the fluctuations in time of the magnetization, which allows us to elaborate on the choice of the correct order parameter when challenging the performance of Lynden-Bell’s theory. The presence of the field h removes the phase transition, as it happens at equilibrium. Moreover, regions with negative susceptibility are numerically found to occur, in agreement with the predictions of the theory.     

Experimental and theoretical indications for an intermediate σ-dressed dibaryon in the NN interaction

Numerous theoretical and experimental arguments in favor of the generation of intermediate σ-dressed dibaryon in NN interaction at middle and short distances are presented. We argue that this intermediate dibaryon should be responsible for the strong middle-range attraction and the short-range repulsion in the NN interaction, and also for the short-range correlations in nuclei. The suggested mechanism for the σ-dressing of the dibaryon is identical to that which explains the Roper-resonance structure, its dominant decay mode and its extraordinary low mass. It is arguing that the (partial) chiral symmetry restoration effects, common for the Roper resonance and dressed dibaryon, are responsible for strong renormalizing of their masses and widths and the observed σ-meson mass and decay width as well. The new experimental data on 2π-production in the scalar-isoscalar channel produced in pn- and pd-collisions and recent data on γγ correlations in pC and dC scattering in the GeV region seems to corroborate the existence of the σ-dressed dibaryon in two- and three-nucleon interactions. A similar transformation mechanism from the glue to the scalar field can be valid also in some J/Ψ decays and in enormous σ-meson production in central pp collisions at high energies.     

Removal of single-atom optical bistability by quantum fluctuations

The dynamics of the quantum-statistical properties of the radiation of an atom in a cavity interacting with an external coherent field is investigated. A high level of quantum fluctuations of the field in the cavity is shown to destroy optical bistability in the multiatom case. Photon-number fluctuations and the spectral dispersion of the canonically conjugate quadratures of the field inside and outside a cavity are calculated. It is found that in contrast to the multiatom case quadrature squeezing and squeezing of the radiation intensity of a single atom are negligible inside and outside the cavity. Zh. éksp. Teor. Fiz. 115, 2001–2013 (June 1999)     

Effect of temperature-dependent surface heat transfer coefficient on the maximum surface stress in ceramics during quenching

We study the difference in the maximum stress on a cylinder surface σ_max using the measured surface heat transfer coefficient h_m instead of its average value h_a during quenching. In the quenching temperatures of 200, 300, 400, 500, 600 and 800°C, the maximum surface stress σ_mmax calculated by h_m is always smaller than σ_amax calculated by h_a, except in the case of 800°C; while the time to reach σ_max calculated by h_m (f_mmax) is always earlier than that by h_a (f_amax). It is inconsistent with the traditional view that σ_max increases with increasing Biot number and the time to reach σ_max decreases with increasing Biot number. Other temperature-dependent properties also have a small effect on the trend of their mutual ratios with quenching temperatures. Such a difference between the two maximum surface stresses is caused by the dramatic variation of h_m with temperature, which needs to be considered in engineering analysis.     

Perturbation treatment of non-linear transport via the Robertson statistical formalism

A perturbation solution is found for the differential equation defining an operator Tˆ used by Robertson to relate the information-theoretic phase-space distribution σ to the solution ρ of the classical Liouville equation. This relation provides a closure, used in obtaining an exact equation for σ. Multiplying the latter equation by F, a phase-space function odd under momentum reversal, of which heat and diffusion fluxes are among the examples, one gets an exact equation for ∂〈F〉/∂t. 〈F〉 is the phase space integral of ρF. The dissipative terms in ∂〈F〉/∂t can be expanded, like Tˆ, in successive orders O(〈F〉ⁿ). For a model in which equilibrium ensemble fluctuations relax exponentially, terms linear and O(〈F〉³) are calculated. The non-linear terms exhibit an explicit time-dependence for short times. In a steady state induced by external driving forces, the explicit time-dependence disappears, in agreement with existing phenomenology. For simplicity, spatial uniformity is assumed. A generalization is required for large temperature or velocity gradients.     

Structure and thermodynamic properties of a polydisperse fluid in contact with a polydisperse matrix

We present expressions that allow the determination of the structural and thermodynamic properties of a polydisperse liquid mixture in contact with a polydisperse matrix; polydispersity of the fluid and of the matrix are described by distribution functions f ^f(σ) and f m (σ), where σ and σ characterize the size of the fluid and of the matrix particles. The formalism is based on the replica trick (to describe the properties of a fluid in contact with a matrix) and on the expansion of size-dependent functions in terms of orthogonal polynomials associated with the distribution functions f _f(σ) and f _m (σ). In our expressions structural and thermodynamic properties are calculated from coefficient functions (of these expansions) which are obtained from a numerical solution of the generalized replica Ornstein-Zernike equations, solved along with a suitable closure relation.     

Broadening of the spectral line of spin self-oscillations in a nanocolumn magnetic structure upon magnetic field and current variations

The spin dynamics in a thin layer of a nanocolumn layered magnetic structure during the flow of a spin-polarized current in the presence of magnetic fluctuations is theoretically analyzed. Using the macrospin model, the frequency and Q factor of the spin oscillations are calculated as functions of the spin-polarized current upon the occurrence of current self-generation.     

Dynamical theory of thermal spin fluctuations in metallic ferromagnets

A self-consistent dynamical theory of thermal spin fluctuations is developed which describes their spatial correlation. It is based on the functional integral method and utilizes the quadratic representation for the electron free energy in a fluctuating exchange field with renormalized susceptibilities allowing for the interaction of various spin fluctuation modes. Interpolation between the single-site and homogeneous susceptibilities is used, where these susceptibilities are found self-consistently. The average over fluctuations takes account of both long-wavelength and local excitations. A closed system of equations is formed for both unknown quantities: the magnetization and the mean-square exchange field at a site. The basic characteristics of a specific magnet are the density of electron states and the atomic magnetic moment at T=0. A method is proposed for separating the relatively slow thermal-spin fluctuations from the rapid zero-spin fluctuations forming the ground state of the magnets. At T=0 we have a system of equations of mean field theory. The temperature excites thermal spin fluctuations, which are described by taking account of correlation in time and space. The magnetization, susceptibility, magnitude of the spin fluctuations and their distribution over momenta, and the degree of magnetic short-range order in iron are calculated as functions of the temperature in the ferromagnetic and paramagnetic phases, and also at the transition between them, the Curie temperature. Fiz. Tverd. Tela (St. Petersburg) 40, 90–98 (January 1998)     

20—50MeV O5+离子引起Au的L壳层X射线产生截面研究

在北京13 MV串列加速器上利用20—50MeV O⁵⁺离子研究Au的L壳层X射线产生截面. 实验结果表明σ（Ll）/σ（Lα） ,σ（Lβ）/σ（Lα） 和σ（Lγ）/σ（Lα）与EＣＰSSR理论计算结果符合比较好.在实验中由于较高的能量,在能量点存在能移现象. 关键词： 产生截面 ECPSSR X射线     

Surface tension calculations of the cationic (CTAB) and the zwitterionic (SB3-12) surfactants using new force field models: a computational study

Actual CTAB and SB3-12 surfactant force field models fail to reproduce one of the most important thermodynamic property of those molecules, the surface tension. Molecular dynamics simulations were conducted to construct new force fields of the cationic surfactant, Cetyl Trimethyl Ammonium Bromide (CTAB), and the non-ionic, cocoamidopropyl betaine, surfactants using united atom models. By scaling the Lennard Jones parameters, the well depth potential (ε) and the intermolecular distance (σ), we constructed an united atom model of the cationic and the betaine surfactants. The new models were tested with actual experiments reported in the literature. With the correct parameters, surface tensions of both surfactants were calculated at different temperatures and different areas per molecule. Electrostatic properties and micelle structures were also calculated with the new set of parameters and radius of gyrations, i.e. micelle radius, were evaluated showing good affinity with experimental data. The new force fields were proved with two different water models, TIP4P/ε and SPC/E, having good agreement with actual experiments