The ideal polymer chain near planar hard wall beyond the Dirichlet boundary conditions

We present a new ab initio approach to describe the statistical behavior of long ideal polymer chains near a plane hard wall. Forbidding the solid half-space to the polymer explicitly (by the use of Mayer functions) without any other requirement, we derive and solve an exact integral equation for the partition function G _D(r,r′, N) of the ideal chain consisting of N bonds with the ends fixed at the points r and r′ . The expression for G(r,r′, s) is found to be the sum of the commonly accepted Dirichlet result G _D(r,r′, N) = G ₀(r,r′, N) - G ₀(r,r”, N) , where r” is the mirror image of r′ , and a correction. Even though the correction is small for long chains, it provides a non-zero value of the monomer density at the very wall for finite chains, which is consistent with the pressure balance through the depletion layer (so-called wall or contact theorem). A significant correction to the density profile (of magnitude 1/is obtained away from the wall within one coil radius. Implications of the presented approach for other polymer-colloid problems are discussed.     

Influence of the reagent vibration on the stereo-dynamics of the reactions D- + H2 and H- + D2

Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D^- + H₂ and H^- + D₂ is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections (2π/σ)(dσ₀₀/dω_t),(2π/σ)(dσ₂₀/dω_t),(2π/σ)(dσ₂₂/dω_t), and (2π/σ)(dσ₂₀/dω_t) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(θ_r), P(φ_r) and P(θ_r,φ_r) of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j' sensitively depend on reagent molecule vibration.     

Quantum deformation of lorentz group

A one parameter quantum deformationS _μ L(2,ℂ) ofSL(2,ℂ) is introduced and investigated. An analog of the Iwasawa decomposition is proved. The compact part of this decomposition coincides withS _μ U(2), whereas the solvable part is identified as a Pontryagin dual ofS _μ U(2). It shows thatS _μ L(2,ℂ) is the result of the dual version of Drinfeld's double group construction applied toS _μ U(2). The same construction applied to any compact quantum groupG _c is discussed in detail. In particular the explicit formulae for the Haar measures on the Pontryagin dualG _d ofG _c and on the double groupG are given. We show that there exists remarkable 1-1 correspondence between representations ofG and bicovariant bimodules (“tensor bundles”) overG _c . The theory of smooth representations ofS _μ L(2,ℂ) is the same as that ofSL(2,ℂ) (Clebsh-Gordon coefficients are however modified). The corresponding “tame” bicovariant bimodules onS _μ U(2) are classified. An application to 4D ₊ differential calculus is presented. The nonsmooth case is also discussed.     

From macroscopic to atomic motions in liquid metals

Summary In the present review of liquid dynamics studies on liquid metals are reported. Particularly the case of liquid lead is reviewed because this case was carefully studied by neutron scattering technique,S(Q,ω) being determined at two widely different temperaturesT=623 K andT=1170 K and therefore different densities. In addition extensive supplementary MD simulations were made using a 16 384-particle system. The simulations ranged from a determination of an effective pair potential for lead to simulation of the density correlation functionsF(Q,t) andF _s(Q,t), as well as the longitudinal and transversal current correlation functionsJ ₁(Q,t) andJ _T(Q,t). The MD simulation ?calibrated? via the experimentalS(Q) andS(Q,ω) was used to prolong the range of neutron data to draw conclusions regarding such quantities as dispersion relations for the current correlationsJ ₁(Q,t) andJ _T(Q,t), the generalized viscosity functions ν₁(Q,t), ν₁(Q) and ν_s(Q). Information regarding bulk viscosity ν_B(Q) is also gained. Conclusions are drawn regarding the relative importance of the derived pair potential form by comparison to corresponding hard-sphere data. The general framework of linearized hydrodynamic equations for the macroscopic situation transforming to visco-elastic equations of motion for finite wave-length and high frequency works well also for the case of a continuous potential. The region of transition from simple visco-elastic to hydrodynamic behaviour is occurring at wavelengths in the range (12÷20) ? for the cases studied. The spatial properties of the viscosity functions ν₁(r), ν_s(r) and ν_B(r) are found to correlate well with the range of the radial distribution function for the liquid. The general results for liquid lead probably have wide range of applicability to other simple liquids with similarS(Q) andg(r) properties. The authors have agreed not to receive proofs for correction.     

Realizability of Point Processes

There are various situations in which it is natural to ask whether a given collection of k functions, ρ _j (r ₁,…,r _j ), j=1,…,k, defined on a set X, are the first k correlation functions of a point process on X. Here we describe some necessary and sufficient conditions on the ρ _j ’s for this to be true. Our primary examples are X=ℝ ^d , X=ℤ ^d , and X an arbitrary finite set. In particular, we extend a result by Ambartzumian and Sukiasian showing realizability at sufficiently small densities ρ ₁(r). Typically if any realizing process exists there will be many (even an uncountable number); in this case we prove, when X is a finite set, the existence of a realizing Gibbs measure with k body potentials which maximizes the entropy among all realizing measures. We also investigate in detail a simple example in which a uniform density ρ and translation invariant ρ ₂ are specified on ℤ; there is a gap between our best upper bound on possible values of ρ and the largest ρ for which realizability can be established.     

Chiral constituent quark model study of the process γp → ηp <Superscript>⋆</Superscript>

A constituent quark model is developed for the reaction γp → ηp , allowing us to investigate all available data for differential cross-sections as well as single polarization asymmetries (beam and target) by including all of the PDG, one to four star, nucleon resonances (S₁₁, P₁₁, P₁₃, D₁₃, D₁₅, F₁₅, F₁₇, G₁₇, G₁₉, H₁₉, I_1,11, and K_1,13). Issues related to the missing resonances are also briefly discussed by examining possible contributions from several new resonances (S₁₁, P₁₁, P₁₃, D₁₃, D₁₅, and H_1,11).     

Large Deviations for the Fermion Point Process Associated with the Exponential Kernel

For the fermion point process on the whole complex plane associated with the exponential kernel , we show the central limit theorem for the random variable ξ(D _r , the number of points inside the ball D _r of radius r, as r → ∞ and we establish the large deviation principle for the random variables {r ⁻²ξ (D _r ), r > 0}.     

πNN Dynamics in pp → pp,pp →πd and πd →πd Processes Below 1 GeV

pp and πd scattering and pp →πd reaction processes at incident proton laboratory energies T _L ≤ 1 GeV are studied in the framework of πNN dynamics. For this purpose three-body calculations are performed with the πN interaction in the P ₁₁, P ₃₃, S ₁₁ and S ₃₁ states and NN forces in the ³ S ₁ -³ D ₁, ¹ S ₀, and ³ P ₂ states. In addition, the backward-going pion contribution at the πNΔ vertex, the πN-ρN coupling, the heavy-meson exchanges in the NN → NN driving term, and the effect of the off-shell structure in the πN-ρN P ₃₃ interaction are taken into account. Received March 28, 1994; revised July 29, 1994; accepted for publication August 31, 1994     

Diffractive S and D wave vector mesons in deep inelastic scattering

Helicity amplitudes for diffractive leptoproduction of the S and D wave states of vector mesons are derived. A dramatically different spin dependence for production of the S and D wave vector mesons is predicted. It is found that R=σ_L/σ_T is very small and that the higher twist effects in the production of longitudinally polarized D wave vector mesons are abnormally large. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 4, 268–273 (25 February 1998) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Mean-Field Driven First-Order Phase Transitions in Systems with Long-Range Interactions

We consider a class of spin systems on ℤ ^d with vector valued spins (S _x ) that interact via the pair-potentials J _x,y S _x ⋅S _y . The interactions are generally spread-out in the sense that the J _x,y 's exhibit either exponential or power-law fall-off. Under the technical condition of reflection positivity and for sufficiently spread out interactions, we prove that the model exhibits a first-order phase transition whenever the associated mean-field theory signals such a transition. As a consequence, e.g., in dimensions d≥3, we can finally provide examples of the 3-state Potts model with spread-out, exponentially decaying interactions, which undergoes a first-order phase transition as the temperature varies. Similar transitions are established in dimensions d = 1,2 for power-law decaying interactions and in high dimensions for next-nearest neighbor couplings. In addition, we also investigate the limit of infinitely spread-out interactions. Specifically, we show that once the mean-field theory is in a unique “state,” then in any sequence of translation-invariant Gibbs states various observables converge to their mean-field values and the states themselves converge to a product measure.     

Interactions of charmed mesons with nucleons in the ¯<Emphasis Type="Italic">p</Emphasis><Emphasis Type="Italic">d</Emphasis> reaction

We study the possibility to measure the elastic ΦN (Φ≡J/ψ,ψ(2S), ψ(3770), χ_2c) scattering cross section in the reaction ˉp+d→Φ+n _sp and the elastic D(ˉD)N scattering cross section in the reaction ˉp+d→D ⁻ D ⁰ p _sp. Our studies indicate that the elastic scattering cross sections can be determined for Φ momenta about 4–6 GeV/c and D/ˉD momenta 2–5 GeV/c by selecting events with p _t≥ 0.4 GeV/c for Φ's and p _t(p _sp) ≥ 0.5 GeV/c for D/ˉD-meson production. Received: 8 November 1999     

Character of the N D -D h (0, d) phase transition in diskotic liquid crystals

The first experimental data on the orientational ordering of a diskotic reentrant nematic N _D are presented. The data show that the phase transition N _D -D _h (0, d) is a strong first-order transition with a large jump ΔS≃0.2 in the orientational order parameter S of the molecules. This indicates an anomalously strong coupling between the columnar and orientational ordering of the molecules and explains the absence of fluctuational divergence of the elastic moduli K ₁₁ and K ₂₂ in the nematic phase near this transition. Pis’ma Zh. éksp. Teor. Fiz. 63, No. 1, 29–32 (10 January 1996)     

Probing the field-induced variation of the chemical potential in Bi2Sr2CaCu2Oy via magneto-thermopower measurements

Approximating the shape of the magneto-thermoelectric power (TEP) ΔS(T,H) measured in Bi₂Sr₂CaCu₂O_y by an asymmetric linear triangle of the form ΔS(T,H)≃S _p (H)±B ^±(H)(T _c −T) with positive B ⁻(H) and B ⁺(H) defined below and above T _c , we observe that B ⁺(H) ≃2B ⁻(H). To account for this asymmetry, we explicitly introduce the field-dependent chemical potential μ(H) of holes into the Ginzburg-Landau theory and calculate both an average ΔS _av(T,H) and fluctuation contribution ΔS _fl(T,H) to the total magneto-TEP ΔS(T,H). As a result, we find a rather simple relationship between the field-induced variation of the chemical potential in this material and the above-mentioned magneto-TEP data around T _c , viz. Δ μ(H)∝S _p (H). Zh. éksp. Teor. Fiz. 116, 257–262 (July 1999) Published in English in the original Russian journal. Reproduced here with stylistic changes by the Translation Editor.     

On the Distribution of Free Path Lengths for the Periodic Lorentz Gas III

 For r(0,1), let Z _r ={xR ² |dist(x,Z ²)>r/2} and define τ _r (x,v)=inf{t>0|x+tv∂Z _r }. Let Φ _r (t) be the probability that τ _r (x,v)≥t for x and v uniformly distributed in Z _r and §¹ respectively. We prove in this paper that

Conformational analysis of <Emphasis Type="Italic">o</Emphasis>-allylphenol by density functional and IR spectroscopy methods

The two-dimensional cyclic potential energy surfaces for internal rotation of the allyl substituent and its vinyl fragment in o-allylphenol (o-APh) depending on the OH group orientation relative to the allyl substituent were constructed by a B3LYP/6-31G method. It is shown that o-APh exists in the gas phase as a mixture of eight non-planar rotamers (A, B, C, D, E, F, G, and H) and their eight optical isomers (A ₁, B ₁, C ₁, D ₁, E ₁, F ₁, G ₁, and H ₁). An intramolecular H-bond (IHB) O–H...π occurs only in four rotamers (A, B, A ₁, and B ₁). The content of such rotamers in the gas phase is 47.2% (as calculated by the B3LYP/cc-pVTZ method). Taking into account the solvation effect in the polarizable continuum model (PCM) for a solution of o-APh in cyclohexane decreases the total content of rotamers with an IHB (A and B) to 37.7%. The ratio of rotamers with OH groups bonded by an IHB and with free OH groups that is predicted theoretically agrees with the value measured experimentally from IR spectra of o-APH in CCl₄ solution.     

On bound state computations in three- and four-electron atomic systems

A variational approach is developed for bound state calculations in three- and four-electron atomic systems. This approach can be applied to determine, in principle, an arbitrary bound state in three- and four-electron ions and atoms. Our variational wave functions are constructed from four- and five-body Gaussoids that respectively depend on six (r ₁₂, r ₁₃, r ₁₄, r ₂₃, r ₂₄, r ₃₄) and ten (r ₁₂, r ₁₃, r ₁₄, r ₁₅, r ₂₃, r ₂₄, r ₂₅, r ₃₄, r ₃₅ and r ₄₅) relative coordinates. The approach allows operating with the more than one electron spin functions. In particular, the trial wave functions for the ¹ S states in four-electron atomic systems include the two independent spin functions χ₁ = αβαβ + βαβα − βααβ − αββα and χ₂ = 2ααββ + 2ββαα − βααβ − αββα − βαβα − αβαβ. We also discuss the construction of variational wave functions for the excited 2³ S states in four- electron atomic systems.     

Exploring CP violation and penguin effects through B0d→D+D- and B0s→D+sD-s

The decay B⁰ _d→D⁺D^- offers an interesting probe of CP violation, but it requires control of penguin effects, which can be done through B⁰ _s→D⁺ _sD^- _s by means of the U-spin flavour symmetry of strong interactions. Recently, the Belle collaboration reported indications of large CP violation in the B⁰ _d decay, which were, however, not confirmed by BaBar, and first signals of the B⁰ _s channel were observed at the Tevatron. In view of these developments and the quickly approaching start of the LHC, we explore the allowed region in observable space for CP violation in B⁰ _d→D⁺D^-, perform theoretical estimates of the relevant hadronic penguin parameters and observables, and we address questions both about the most promising strategies for the extraction of CP-violating phases and about the interplay with other measurements of CP violation and the search for new physics. As far as the latter aspect is concerned, we point out that the B⁰ _q→D_q ⁺D^- _q system provides a setting for the determination of the B⁰ _q–B̄⁰ _q mixing phases (q∈{d,s}) that is complementary to the conventional B⁰ _d→J/ψK_S and B⁰ _s→J/ψφ modes with respect to possible new-physics effects in the electroweak penguin sector.     

Passive scalar in a large-scale velocity field

We consider advection of a passive scalar θ(t,r) by an incompressible large-scale turbulent flow. In the framework of the Kraichnan model all PDF’s (probability distribution functions) for the single-point statistics of θ and for the passive scalar difference θ(r ₁)−θ(r ₂) (for separations r ₁−r ₂ lying in the convective interval) are found. Zh. éksp. Teor. Fiz. 115, 920–939 (March 1999) Published in English in the original Russian journal. Reproduced here with stylistic changes by the Translation Editor.     

Spectral rigidity and eigenfunction correlations at the Anderson transition

The statistics of energy levels for a disordered conductor are considered in the critical energy window near the mobility edge. It is shown that, if the critical wave functions are multifractal, the one-dimensional gas of levels on the energy axis is compressible, in the sense that the variance of the level number in an interval is 〈 (δN)²〉∼χ〈N〉 for 〈N〉≫1. The compressibility, χ=η/2d, is given exactly in terms of the multifractal exponent η =d−D ₂ at the mobility edge in a d-dimensional system. Pis’ma Zh. éksp. Teor. Fiz. 64, No. 5, 355–360 (10 September 1996) Published in English in the original Russian journal. Edited by Steve Torstveit.