Vibrational relaxation in liquids

A new theory is presented for vibrational energy relaxation in a liquid. It is shown that a vibrationally excited probe molecule relaxes through interaction with the density fluctuations in the surrounding solvent fluid. This interaction occurs through a potential V(k), which is expressed in terms of the intermolecular force between the excited probe molecule and the surrounding fluid molecules. By assuming spherically symmetric solvent particles the T ₁ energy relaxation time for direct V-T processes is related to the translational dynamic structure factor for the fluid S(k, ω_v), evaluated at the vibrational resonance frequency. It is shown that this is described by gas-like particle motions on a very short distance scale corresponding to k vectors lying well beyond the first or second peaks of the fluid structure factor S(k). Such motions can be pictured as high-frequency, short-distance distortions of the local equilibrium configuration of the solvent particles around the probe. T ₁ ^-1 is found to be proportional to ρ_e T ^1/2 ω_v ^-3. The V-V energy exchange relaxation time is also calculated. This is found to be proportional to S(k, ω′) evaluated at a frequency ω′, corresponding to the vibrational energy missmatch. An energy gap law for the V-V process is derived.     

Scaling contributions to the free energy in the 1/n expansion of O(n) nonlinear sigma models in d-dimensions

Within the 1/N expansion of O(N) nonlinear σ models for d≤4 it is possible to separate consistently the spin-wave and the massive-mode contributions to the scaling part of the free energy near criticality, and to evaluate them to O(1/N). For critical dimensions d=2+2/n the Abe-Hikami anomaly is recovered, while for d=2 the removal of the spin-wave term is justified.     

On extending the applicability of the initial rise method for thermoluminescence glow peak analysis

We discuss an approach by which the initial rise (IR) method can be extended to evaluate the frequency factor (s) of a glow peak, in addition to activation energy (E) that is usually obtainable from it. The approach requires that the phosphor be irradiated to a dose near or equal to the saturation dose of the glow peak to be analyzed. By plotting ln(I) against 1/T for the thermoluminescence glow peak, one obtains a straight line whose gradient is ? E/k and intercept is ln(n ₀ s/β) from which E and s are determined respectively. The approach was used to analyze two numerically generated glow peaks and reproduce with reasonably good accuracy the E and s values used to generate the glow peaks. It is also shown that when it becomes necessary to include intensities above 10% of the maximum glow peak intensity, the error introduced into the calculated frequency factor by the assumption n? n ₀ is always negligible when the analysis is done by plotting ln(I/n) against 1/T. In this case the frequency factor is obtained from ln(s/β) which is now the intercept. Two experimental glow peaks were also analyzed using the new IR method approach and peak shape method. Good agreement, which again shows the validity and reliability of the present approach was observed between the values of E and s obtained by the two methods.     

空间网络上的随机游走

本文以一维均匀环为基础, 通过添加有限数量的长程连接构造出了一维有限能量约束下的空间网络, 环上任意节点i与j之间存在一条长程连接的概率满足p_ijα d_ij^-α (α≥ 0),其中d_ij为节点i与j之间的网格距离, 并且所有长程连接长度总和受到总能量∧=cN(c≥ 0)的约束, N为网络节点总数.通过研究该空间网络上的随机游走过程,存在最优幂指数α₀ 使得陷阱问题的平均首达时间最短.进一步研究发现,平均首达时间与网络规模N之间存在着幂律关系, 随着网络规模N和总能量∧的增加,最优幂指数α₀单调增加,并趋近最优值1.5.     

Solvable models of temporally correlated random walk on a lattice

We seek the conditional probability functionP(m,t) for the position of a particle executing a random walk on a lattice, governed by the distributionW(n, t) specifying the probability ofn jumps or steps occurring in timet. Uncorrelated diffusion occurs whenW is a Poisson distribution. The solutions corresponding to two different families of distributionsW are found and discussed. The Poissonian is a limiting case in each of these families. This permits a quantitative investigation of the effects, on the diffusion process, of varying degrees of temporal correlation in the step sequences. In the first part, the step sequences are regarded as realizations of an ongoing renewal process with a probability densityψ(t) for the time interval between successive jumps.W is constructed in terms ofψ using the continuous-time random walk approach. The theory is then specialized to the case whenψ belongs to the class of special Erlangian density functions. In the second part,W is taken to belong to the family of negative binomial distributions, ranging from the geometric (most correlated) to the Poissonian (uncorrelated). Various aspects such as the continuum limit, the master equation forP, the asymptotic behaviour ofP, etc., are discussed.     

A study on the determination of mechanical properties of a power law material by its indentation force–depth curve

In this study a novel optimization approach is proposed to extract mechanical properties of a power law material whose stress–strain relationship may be expressed as a power law from its given experimental indentation P–h curve. A set of equations have been established to relate the P–h curve to mechanical properties E, σ _y and n of the material. For the loading part of a P–h curve this approach is based on the assumption that the indentation response of an elastic–plastic material is a linear combination of the corresponding elastic and elastic–perfect plastic materials. For the unloading part of the P–h curve it is based on the assumption that the unloading response of the elastic–plastic material is a linear combination of the full contact straight line and the purely elastic curve. Using the proposed optimization approach it was found that the mechanical properties of an elastic–plastic material usually cannot be decided uniquely by using only a single indentation P–h curve of the material. This is because in general a few matched sets of mechanical properties were found to produce a given P–h curve. It is however possible to identify the best matched set of mechanical properties by knowing some background information of the material. If the best matched material is identified, the predictions of mechanical properties are quite accurate.     

Relative compatibility in conventional quantum mechanics

The notion of relative compability is introduced, according to which compatibility is construed as relative to individual quantum states. The compatibility domain of two observablesA, B is defined to be the set com(A, B) of states relative to whichA andB are compatible. Three basic categories of relative compatibility are then defined according to the character of com(A, B): absolute compatibility (ordinary compatibility), absolute incompatibility, and partial compatibility. Then com(A, B) is seen to be a subspace of Hilbert space invariant underA andB; being a subspace, it corresponds to a quantum binary observable (projection), denotedc(A, B). IfA andB are themselves binary observables, thenc(A, B) is expressible as a quantum logical compound ofA andB using the lattice operations meet, join, and orthocomplement. This suggests extending the notion of relative compatibility to the theory of orthomodular lattices, as well as to more general lattice-theoretic formulations of quantum mechanics.     

Phase transition studies in polymesomorphic compounds(v): Density studies in N-(p-n-Octyloxy benzylidene)-p-n-butyl aniline

The density, ρ, of N-(p-n-octyloxy benzylidene) p-n-butyl aniline (OBBA) is measured as a function of temperature from the isotropic liquid to the smectic-G phase. The compound is trimorphic, exhibiting three smectic phases, smectic-G, crystal smectic-B, and smectic-A phase. The changes in density across the phase transformations and the calculated thermal expansion coefficients confirm the order of the transitions as first order. Particular importance of the smectic-A to crystal smectic-B transformation, which is of first order, is apparent from the density jump across the transition.     

Factorized S-matrices in two dimensions as the exact solutions of certain relativistic quantum field theory models

The general properties of the factorized S-matrix in two-dimensional space-time are considered. The relation between the factorization property of the scattering theory and the infinite number of conservation laws of the underlying field theory is discussed. The factorization of the total S-matrix is shown to impose hard restrictions on two-particle matrix elements: they should satisfy special identities, the so-called factorization equations. The general solution of the unitarity, crossing and factorization equations is found for the S-matrices having isotopic O(N)-symmetry. The solution turns out to have different properties for the cases N = 2 and N 3. For N = 2 the general solution depends on one parameter (of coupling constant type), whereas the solution for N 3 has no parameters but depends analytically on N. The solution for N = 2 is shown to be an exact soliton S-matrix of the sine-Gordon model (equivalently the massive Thirring model). The total S-matrix of the model is constructed. In the case of N 3 there are two “minimum” solutions, i.e., those having a minimum set of singularities. One of them is shown to be an exact S matrix of the quantum O(N)-symmetric nonlinear σ-model, the other is argued to describe the scattering of elementary particles of the Gross-Neveu model.     

Quaternionic-valued Gravitation in 8D, Grand Unification and Finsler Geometry

A unification model of 4D gravity and SU(3)×SU(2)×U(1) Yang-Mills theory is presented. It is obtained from a Kaluza-Klein compactification of 8D quaternionic gravity on an internal CP ²=SU(3)/U(2) symmetric space. We proceed to explore the nonlinear connection formalism used in Finsler geometry to show how ordinary gravity in D=4+2 dimensions has enough degrees of freedom to encode a 4D gravitational and SU(5) Yang-Mills theory. This occurs when the internal two-dim space is a sphere S ². This is an appealing result because SU(5) is one of the candidate GUT groups. We conclude by discussing how the nonlinear connection formalism of Finsler geometry provides an infinite hierarchical extension of the Standard Model within a six dimensional gravitational theory due to the embedding of SU(3)×SU(2)×U(1)⊂SU(5)⊂SU(∞).     

Zonal PANS: evaluation of different treatments of the RANS–LES interface

The partially Reynolds-averaged Navier–Stokes (PANS) model can be used to simulate turbulent flows either as RANS, large eddy simulation (LES) or DNS. Its main parameter is f_k whose physical meaning is the ratio of the modelled to the total turbulent kinetic energy. In RANS f_k = 1, in DNS f_k = 0 and in LES f_k takes values between 0 and 1. Three different ways of prescribing f_k are evaluated for decaying grid turbulence and fully developed channel flow: f_k = 0.4, f_k = k^3/2 _tot/? and, from its definition, f_k = k/k_tot where k_tot is the sum of the modelled, k, and resolved, k_res, turbulent kinetic energy. It is found that the f_k = 0.4 gives the best results. In Girimaji and Wallin, a method was proposed to include the effect of the gradient of f_k. This approach is used at RANS– LES interface in the present study. Four different interface models are evaluated in fully developed channel flow and embedded LES of channel flow: in both cases, PANS is used as a zonal model with f_k = 1 in the unsteady RANS (URANS) region and f_k = 0.4 in the LES region. In fully developed channel flow, the RANS– LES interface is parallel to the wall (horizontal) and in embedded LES, it is parallel to the inlet (vertical). The importance of the location of the horizontal interface in fully developed channel flow is also investigated. It is found that the location – and the choice of the treatment at the interface – may be critical at low Reynolds number or if the interface is placed too close to the wall. The reason is that the modelled turbulent shear stress at the interface is large and hence the relative strength of the resolved turbulence is small. In RANS, the turbulent viscosity – and consequently also the modelled Reynolds shear stress – is only weakly dependent on Reynolds number. It is found in the present work that it also applies in the URANS region.     

Dynamics of selfavoiding tethered membranes. II. Inclusion of hydrodynamic interaction (Zimm model)

The dynamical scaling properties of selfavoiding polymerized membranes with internal dimension D embedded into d dimensions are studied including hydrodynamical interactions. It is shown that the theory is renormalizable to all orders in perturbation theory and that the dynamical scaling exponent z is given by z=d. The crossover to the region, where the membrane is crumpled swollen but the hydrodynamic interaction irrelevant is discussed. The results apply as well to polymers (D=1) as to membranes (D=2). Received: 5 September 1997 / Accepted: 17 November 1997     

Stability of a Model of Relativistic Quantum Electrodynamics

The relativistic “no pair” model of quantum electrodynamics uses the Dirac operator, D(A) for the electron dynamics together with the usual self-energy of the quantized ultraviolet cutoff electromagnetic field A– in the Coulomb gauge. There are no positrons because the electron wave functions are constrained to lie in the positive spectral subspace of some Dirac operator, D, but the model is defined for any number, N, of electrons, and hence describes a true many-body system. In addition to the electrons there are a number, K, of fixed nuclei with charges ≤Z. If the fields are not quantized but are classical, it was shown earlier that such a model is always unstable (the ground state energy E=−∞) if one uses the customary D(0) to define the electron space, but is stable (E > − const.(N+K)) if one uses D(A) itself (provided the fine structure constant α and Z are not too large). This result is extended to quantized fields here, and stability is proved for α= 1/137 and Z≤ 42. This formulation of QED is somewhat unusual because it means that the electron Hilbert space is inextricably linked to the photon Fock space. But such a linkage appears to better describe the real world of photons and electrons. Received: 8 September 2001 / Accepted: 18 March 2002     

Limiting behaviour of fluid distribution functions for small distances

An expression for the distribution function y(r) = exp {βu(r)}g(r), where g(r) is the radial distribution function, is obtained in the limit r →0 for a general fluid. The logarithm of y(0) is found to be given by a rapidly convergent series in βε, where β = 1/kT, T is the temperature, and ε is the depth of the potential. Extensions of this result to mixtures and higher-order distribution functions are also given.     

Drinfeld twist for two-parametric deformation of gl(2) and sl(1/2)

Drinfeld twist is applied to the Lie algebra gl(2) so that a two-parametric deformation of it is obtained, which is identical to the Jordanian deformation of the gl(2) obtained by Aneva et al. The same twist element is applied to deform the Lie superalgebra sl(1/2), since the gl(2) is embedded into the sl(1/2). By making use of the FRT-formalism, we construct a deformation of the Lie supergroup SL(1/2).     

Conditional Entropy and the Rokhlin Metric on an Orthomodular Lattice with Bayessian State

The present paper deals with the study of conditional entropy and its properties in a quantum space (L,s), where L is an orthomodular lattice and s is a Bayessian state on L. First, we obtained a pseudo-metric on the family of all partitions of the couple (B,s), where B is a Boolean algebra and s is a state on B. This pseudo-metric turns out to be a metric (called the Rokhlin metric) by using a new notion of s-refinement and by identifying those partitions of (B,s) which are s-equivalent. The present theory has then been extended to the quantum space (L,s), where L is an orthomodular lattice and s is a Bayessian state on L. Applying the theory of commutators and Bell inequalities, it is shown that the couple (L,s) can be equivalently replaced by a couple (B,s ₀), where B is a Boolean algebra and s ₀ is a state on B.     

On the Positivity of the Coefficients of a Certain Polynomial Defined by Two Positive Definite Matrices

It is shown that the polynomialp(t) = Tr[(A+tB)^m]has positive coefficients when m = 6 and A and B are any two 3-by-3 complex Hermitian positive definite matrices. This case is the first that is not covered by prior, general results. This problem arises from a conjecture raised by Bessis, Moussa, and Villani in connection with a long-standing problem in theoretical physics. The full conjecture, as shown recently by Lieb and Seiringer, is equivalent to p(t) having positive coefficients for any m and any two n-by-n positive definite matrices. We show that, generally, the question in the real case reduces to that of singular A and B, and this is a key part of our proof.     

无标度网络上队列资源分配研究

研究了节点队列资源有限的条件下,无标度网络上的信息流动力学过程,发现了网络由自由流通到拥塞的相变现象,提出了一种基于节点度的队列资源分配模型.模型的核心是使节点i的队列长度与kβi成正比(ki为节点i的度,β为分配参数).仿真结果表明,在网络使用最短路径算法进行信息包传送的条件下,β近似等于1.25时队列资源分配最合理,网络容量最大,且该最佳值与队列总资源多少以及网络的规模无关.     

High order “ZIP” differencing of convective terms

The ZIP flux form for differencing the term (wv)_x, where w is a convected quantity and v is a convective velocity, is observed to be equivalent to differencing the alternative expression wv_x + wx_v using centered second order finite differences. The advantage of this form is that one class of nonlinear computational instabilities is eliminated. Based on this observation, the extension of the ZIP flux concept to arbitrarily high order accuracy is given. Computational examples show the advantage both of the ZIP flux concept itself and of its higher order forms within the context of flux-corrected transport (FCT) algorithms.     

The Stability of Several Triply Periodic Surfaces

The stability of six triply periodic surfaces of constant mean curvature (CMC) is investigated. The relative energy and curvature values of the surfaces comprising the P (Pm3¯m), I-WP (Im3¯m), and G (I4₁32) families are numerically calculated with K. Brakke's Surface Evolver. Regions where the I-WP surface can exist metastable to a complementary I-WP surface are found. This type of metastability is also found in the F-RD surface. Bifurcation points marking the stability limits of the P, I-WP, and G families are also calculated with Evolver. Modes of instability which may occur in the six CMC families are classified. Bifurcations in the P, G, I-WP, C(P), D, and F-RD families are attributed to fundamental instabilities. Lattices of spheres (LOS) are possible extremal surfaces at the bifurcations. It is determined that both the CMC surfaces and the LOS configurations are unstable to coarsening. Because the variation in curvature is lowest for the G family, it is the most robust of the six families to coarsening when the surfaces are otherwise equivalent.