Restrictions on the phase diagrams for a large class of multisite interaction spin systems

Through the proof of two very general theorems involving Ising spin systems with multisite interactions, specific regions of the complexh plane, whereh is the external magnetic field, are shown to be free of zeros of the partition function. Hence in these regions the partition function is analytic and phase transitions are absent. As an example: for systems with ferromagnetic multisite interactions involving even numbers of sites, no phase transition occurs outside of an interval centered on the origin of the realh axis and of the form (–C(T),C(T)), whereT is the temperature. For T0,C(T)0 and phase transitions can occur only ath=0.     

Solution of the Crow-Kimura and Eigen Models for Alphabets of Arbitrary Size by Schwinger Spin Coherent States

To represent the evolution of nucleic acid and protein sequence, we express the parallel and Eigen models for molecular evolution in terms of a functional integral representation with an h-letter alphabet, lifting the two-state, purine/pyrimidine assumption often made in quasi-species theory. For arbitrary h and a general mutation scheme, we obtain the solution of this model in terms of a maximum principle. Euler’s theorem for homogeneous functions is used to derive this ‘thermodynamic’ formulation of evolution. The general result for the parallel model reduces to known results for the purine/pyrimidine h=2 alphabet and the nucleic acid h=4 alphabet for the Kimura 3 ST mutation scheme. Examples are presented for the h=4 and h=20 cases. We also derive the maximum principle for the Eigen model for general h. The general result for the Eigen model reduces to a known result for h=2. Examples are presented for the nucleic acid h=4 and the amino acid h=20 alphabet. An error catastrophe phase transition occurs in these models, and the order of the phase transition changes from second to first order for smooth fitness functions when the alphabet size is increased beyond two letters to the generic case. As examples, we analyze the general analytic solution for sharp peak, linear, quadratic, and quartic fitness functions.     

Linear cellular automata and recurring sequences in finite fields

A one-dimensional linear cellular automaton with periodic boundary conditions consists of a lattice of sites on a cylinder evolving according to a linear local interaction rule. Limit cycles for such a system are studied as sets of strings on which the rule acts as a shift of sizes/h; i.e., each string in the limit cycle cyclically shifts bys sites inh iterations of the rule. For any given rule, the size of the shift varies with the cylinder sizen. The analysis of shifts establishes an equivalence between the strings of values appearing in limit cycles for these automata, and linear recurring sequences in finite fields. Specifically, it is shown that a string appears in a limit cycle for a linear automaton rule on a cylinder sizen iff its values satisfy a linear recurrence relation defined by the shift value for thatn. The rich body of results on recurring sequences and finite fields can then be used to obtain detailed information on periodic behavior for these systems. Topics considered here include the inverse problem of identifying the set of linear automata rules for which a given string appears in a limit cycle, and the structure under operations (such as addition and complementation) of sets of limit cycle strings.     

Excluded area computations for non-convex molecules

By using methods of computer-aided geometric design (CAGD), we compute explicitly the excluded area for a pair of non-convex molecules obtained by moving a disc of radius h on a circular arc of radius R and amplitude 2α: they are referred to as boomerangs or horseshoes, depending on the value of α. As a result, the excluded area always attains its absolute minimum when the molecules are antiparallel, instead of parallel, a feature that makes them a good candidate to study shape polarity effects in steric interactions. Although the excluded area is in general a rather complicated function of the relative orientation, with α and η ? h/R acting as parameters, when η ? 1 a remarkably simple formula is obtained. In this limit, the anisotropic part of the excluded area is independent of η.     

Accuracy of Determining the Optical Parameters of Thin Films by the Method of the Reflectance-Spectrum Extrema Envelopes

A technique to evaluate the accuracy with which the optical parameters of thin films are determined by the method of reflectance-spectrum extrema envelopes is presented. The general case of s-polarized light impinging obliquely on a weakly absorbing thin film formed on an absorbing substrate is discussed. Rather simple analytical expressions are derived which can easily be used in program realization on computers for calculating errors. On the basis of the error analysis, a procedure for determining the optical constants and thickness of thin films is proposed, which allows one to reach the maximum accuracy in solving the inverse problem of spectrophotometry. The optical constants and the thicknesses of the films of perylenetetracarboxylic acid and 2-[4-(4-aminophenyl)phenyliminomethyl]phenol formed on silicon substrates are found by the developed technique in the spectral range 550–900 nm.     

A point group approach to selection rules in crystals

The problem of generation of the selection rules for a transition between Bloch states at any point of the Brillouin zone in crystals is equivalent to the problem of the decomposition of Kronecker products of two representations (reps) of a space group into irreducible components (the full group method). This problem can be solved also by the subgroup method where small reps of little groups are used. In this article, we propose a third method of generation of the selection rules, which is formulated in terms of projective reps of crystal point groups. It is based on a well-known relation between small irreducible reps (irreps) of little space groups and projective irreps of the corresponding little cogroups. The proposed procedure is illustrated by calculations of the Kronecker products for different irreps at the W point of the Brillouin zone for the nonsymmorphic space group O _h ⁷ which is one of the most complicated space groups for the generation of selection rules. As an example, the general procedure suggested is applied to obtain the selection rules for direct and phonon-assisted electrical dipole transitions between certain states in crystals with the space group O _h ⁷ .     

Resonance States in Scattering of Slow Particles with Nonzero Orbital Angular Momentum by the Pöschl-Teller Potential

The scattering of slow particles with nonzero orbital angular momentum in the field of a finite potential is considered. The respective scattering problem is solved in the Pais approximation. The inverse problem is solved for the Pöschl-Teller equation, and a general scheme for Pais resonances and a procedure for calculating scattering cross sections for resonance particles are formulated.

     

Heat flux near critical density in laser-plasma interaction

A general nonlocal theory of heat transport in laser-plasma interaction experiments is presented. It is shown that the inverse bremsstrahlung absorption and the plasma expansion are responsible for heat fluxes q_ib and q_h which add to the heat flux due to the temperature gradient itself.     

Absence of first-order phase transitions for antiferromagnetic systems

We consider a spin system with nearest-neighbor antiferromagnetic pair interactions in a two-dimensional lattice. We prove that the free energy of this system is differentiable with respect to the uniform external fieldh, for all temperatures and allh. This implies the absence of a first-order phase transition in this system.     

The Adjoint Method for an Inverse Design Problem in the Directional Solidification of Binary Alloys

This paper presents a systematic procedure based on the adjoint method for solving a class of inverse directional alloy solidification design problems in which a desired growth velocityv_fis achieved under stable growth conditions. To the best of our knowledge, this is the first time that a continuum adjoint formulation is proposed for the solution of an inverse problem with simultaneous heat and mass transfer, thermo-solutal convection, and phase change. In this paper, the interfacial stability is considered to imply a sharp solid–liquid freezing interface. This condition is enforced using the constitutional undercooling criterion in the form of an inequality constraint between the thermal and solute concentration gradients,GandG_c, respectively, at the freezing front. The main unknowns of the design problem are the heating and/or cooling boundary conditions on the mold walls. The inverse design problem is formulated as a functional optimization problem. The cost functional is defined by the square of theL₂norm of the deviation of the freezing interface temperature from the temperature corresponding to thermodynamic equilibrium. A continuum adjoint system is derived to calculate the adjoint temperature, concentration, and velocity fields such that the gradient of the cost functional can be expressed analytically. The cost functional minimization process is realized by the conjugate gradient method via the finite element method solutions of the continuum direct, sensitivity, and adjoint problems. The developed formulation is demonstrated with an example of designing the directional solidification of a binary aqueous solution in a rectangular mold such that a stable vertical interface advances from left to right with a desired growth velocity.     

Quasi-particle model for lattice QCD: quark–gluon plasma in?heavy ion collisions

We propose a quasi-particle model to describe the lattice QCD equation of state for pure SU(3) gauge theory in its deconfined state, for T≥1.5T _c. The method involves mapping the interaction part of the equation of state to an effective fugacity of otherwise non-interacting quasi-gluons. We find that this mapping is exact. Using the quasi-gluon distribution function, we determine the energy density and the modified dispersion relation for the single particle energy, in which the trace anomaly is manifest. As an application, we first determine the Debye mass, and then the important transport parameters, viz., the shear viscosity, η, and the shear viscosity to entropy density ratio, h/S\eta/{\mathcal{S}}. We find that both η and h/S\eta/{\mathcal{S}} are sensitive to the interactions, and that the interactions significantly lower both η and h/S\eta/\mathcal{S}.     

Analyticity properties of the surface free energy of the Ising model

For an Ising ferromagnet with nearest-neighbour interactions of strengthK and surface magnetic fieldh, the surface free energy in the presence of a positively (or negatively) magnetized zero-field bulk phase is shown to be analytic inh for Reh<K–/, where =2.96 ... and is the inverse temperature. This puts the lower boundK–/ on the values ofh at which wetting and layering transitions can take place.     

Nonlinear Steepest Descent Asymptotics for Semiclassical Limit of Integrable Systems: Continuation in the Parameter Space

The initial value problem for an integrable system, such as the Nonlinear Schrödinger equation, is solved by subjecting the linear eigenvalue problem arising from its Lax pair to inverse scattering, and, thus, transforming it to a matrix Riemann-Hilbert problem (RHP) in the spectral variable. In the semiclassical limit, the method of nonlinear steepest descent ([4,5]), supplemented by the g-function mechanism ([3]), is applied to this RHP to produce explicit asymptotic solution formulae for the integrable system. These formule are based on a hyperelliptic Riemann surface ${\mathcal {R} = \mathcal {R}(x,t)}The initial value problem for an integrable system, such as the Nonlinear Schr?dinger equation, is solved by subjecting the linear eigenvalue problem arising from its Lax pair to inverse scattering, and, thus, transforming it to a matrix Riemann-Hilbert problem (RHP) in the spectral variable. In the semiclassical limit, the method of nonlinear steepest descent ([4,5]), supplemented by the g-function mechanism ([3]), is applied to this RHP to produce explicit asymptotic solution formulae for the integrable system. These formule are based on a hyperelliptic Riemann surface R = R(x,t){\mathcal {R} = \mathcal {R}(x,t)} in the spectral variable, where the space-time variables (x, t) play the role of external parameters. The curves in the x, t plane, separating regions of different genuses of R(x,t){\mathcal {R}(x,t)}, are called breaking curves or nonlinear caustics. The genus of R(x,t){\mathcal {R}(x,t)} is related to the number of oscillatory phases in the asymptotic solution of the integrable system at the point x, t. The evolution theorem ([10]) guarantees continuous evolution of the asymptotic solution in the space-time away from the breaking curves. In the case of the analytic scattering data f(z; x, t) (in the NLS case, f is a normalized logarithm of the reflection coefficient with time evolution included), the primary role in the breaking mechanism is played by a phase function á h(z;x,t){{\Im\,h(z;x,t)}}, which is closely related to the g function. Namely, a break can be caused ([10]) either through the change of topology of zero level curves of á h(z;x,t){\Im\,h(z;x,t)} (regular break), or through the interaction of zero level curves of á h(z;x,t){{\Im\,h(z;x,t)}} with singularities of f (singular break). Every time a breaking curve in the x, t plane is reached, one has to prove the validity of the nonlinear steepest descent asymptotics in the region across the curve.     

Coexistence of phases in Ising ferromagnets

We derive a new inequality for ferromagnetic Ising spin systems and then use it to obtain information about the number of phases which can coexist in such systems. We show in particular that for even interactions only two phases (up and down magnetization) can coexist below the critical temperature at zero magnetic field (h=0) whenever the energy is a continuous function of the temperature. We also prove that the derivatives with respect toh ath=0 of the odd correlation functions (triplet,...) diverge like the susceptibility in the vicinity of the critical temperature (at least for pair interactions). Our results also apply to higher order Ising spins (not just spin 1/2).Research supported in part by NSF Grant #MPS 75-20638 and USAFOR Grant #73-2430D.John Simon Guggenheim Fellow.     

Quantum Lie Algebras, Their Existence, Uniqueness and q-Antisymmetry

Quantum Lie algebras are generalizations of Lie algebras which have the quantum parameter h built into their structure. They have been defined concretely as certain submodules of the quantized enveloping algebras . On them the quantum Lie product is given by the quantum adjoint action. Here we define for any finite-dimensional simple complex Lie algebra an abstract quantum Lie algebra independent of any concrete realization. Its h-dependent structure constants are given in terms of inverse quantum Clebsch-Gordan coefficients. We then show that all concrete quantum Lie algebras are isomorphic to an abstract quantum Lie algebra . In this way we prove two important properties of quantum Lie algebras: 1) all quantum Lie algebras associated to the same are isomorphic, 2) the quantum Lie product of any is q-antisymmetric. We also describe a construction of which establishes their existence. Received: 23 May 1996 / Accepted: 17 October 1996     

Topological representations of Jahn-Teller distortions

Topological representations (top-reps), which originally were developed to model molecular polyhedral isomerization processes, can be extended to depict the relationships between the polygons and polyhedra involved in Jahn-Teller (JT) distortions. Using this approach, the top-rep of the E ? (b _1g + b _2g) distortion of square planar molecules to rectangle and rhombus isomers becomes a rhombus in which the vertices alternately represent distortions to the rectangle and rhombus isomers. Similarly the top-rep of the E ? e distortion of regular O_h octahedra to elongated D_4h tetragonal bipyramids becomes a triangle in which the vertices represent the three distinct tetragonal bipyramids from a given octahedron and the edge midpoints represent lower symmetry rhombic D_2h intermediates. A regular octahedron can be used as a top-rep for the T ? (e + t ₂) distortions of regular octahedra if the 6 vertices represent distortions to D_4h tetragonal bipyramid isomers, the 8 face midpoints represent distortions to D_3d trigonal antiprism isomers, and the 12 edge midpoints represent lower symmetry rhombic D_2h intermediates. In the case of Jahn-Teller T ? h distortions of regular I_h icosahedra, the corresponding top-rep becomes a regular icosahedron in which the 12 vertices represent distortions to pentagonal D_5d isomers, the 20 face midpoints represent distortions to trigonal D_3d isomers, and the 30 edge midpoints represent D_2h intermediates. A 4-dimensional analogue of the tetrahedron (i.e. the 4-simplex) can be used as a top-rep for the G ? g problem and the H ? g component of the H ? (g + 2h) problem for JT distortions of regular icosahedra. In this case the 5 vertices and the 10 edge midpoints correspond to T_h isomers and D_3d intermediates, respectively.     

铁磁/反铁磁双层膜中冷却场对交换偏置场的影响

用铁磁畴壁模型研究了非补偿界面铁磁/反铁磁双层膜中冷却场（包括大小及其方向）对交换偏置场h_E的影响.结果表明：当冷却场的方向与反铁磁层磁易轴一致时,h_E大小与冷却场大小无关.当冷却场的方向偏离磁易轴时,h_E的大小随偏离角度的增大有缓慢的改变,但当冷却场的方向偏离到临界角度γ_c处,h_E的大小发生突变,其γ_c的大小随冷却场的增大而增大.特别是当冷却场的偏离角度大于γ_c后,h_E出现由负转正的现象,其转变点还与冷却场的大小有关.另外,h_E与铁磁层原子层数N_F的关系会发生由h_E∝N^-1_F向h_E∝N^-λ_F的转变,其中λ>1.其发生转变的条件与N_F、冷却场大小和方向密切相关. 关键词： 铁磁/反铁磁双层膜 交换偏置 冷却场     

Method of determing the energy of antiphase boundaries in {h0l} planes in a superstructure with an arbitrary primitive cell

An expression obtained previously by the authors for the energy of formation of an antiphase shear boundary for the {001} orientation is generalized to the case of the {h0l } orientation. The given problem is solved by examining primitive cells of an intermetallide crystal in which one face is parallel to the plane of the antiphase boundary. The energy of the defect is given in the form of an analytical expression that can be used for any ordered alloy with an arbitrary primitive cell without restrictions on the number of coordination spheres in the atomic interactions. An example is presented and the results are compared with known data.Altai Polytechnic Institute. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 73–77, May, 1992.     

Inverse problems of aggregation processes

The coagulation frequency is the key ingredient in the population balance (Smoluchowski) equation of coagulation kinetics. An inverse problem is formulated to extract the coagulation frequency from transient size distributions when these distributions are self-similar. Two numerical examples illustrate the procedure. The first demonstrates the inverse problem for the recovery of singular coagulation frequencies, while the second shows the procedure when self-similarity is approximate. Transient droplet coagulation experiments in a turbulent flow field have been performed. The resulting size distributions are observed to be self-similar. The inverse problem is used to determine the drop coagulation frequency. This frequency shows significant deviation from the coagulation frequencies derived from simple models of drop-drop interactions in a turbulent flow field.