Explicit Formulas for Generalized Action–Angle Variables in a Neighborhood of an Isotropic Torus and Their Application

Different versions of the Darboux–Weinstein theorem guarantee the existence of action–angle-type variables and the harmonic-oscillator variables in a neighborhood of isotropic tori in the phase space. The procedure for constructing these variables is reduced to solving a rather complicated system of partial differential equations. We show that this system can be integrated in quadratures, which permits reducing the problem of constructing these variables to solving a system of quadratic equations. We discuss several applications of this purely geometric fact in problems of classical and quantum mechanics.     

Dupin hypersurfaces with four principal Curvatures,II

If M is an isoparametric hypersurface in a sphere S ⁿ with four distinct principal curvatures, then the principal curvatures κ₁, . . . , κ₄ can be ordered so that their multiplicities satisfy m ₁ = m ₂ and m ₃ = m ₄, and the cross-ratio r of the principal curvatures (the Lie curvature) equals −1. In this paper, we prove that if M is an irreducible connected proper Dupin hypersurface in R ⁿ (or S ⁿ ) with four distinct principal curvatures with multiplicities m ₁ = m ₂ ≥ 1 and m ₃ = m ₄ = 1, and constant Lie curvature r = −1, then M is equivalent by Lie sphere transformation to an isoparametric hypersurface in a sphere. This result remains true if the assumption of irreducibility is replaced by compactness and r is merely assumed to be constant.      

Pairwise Correlations in a Multicomponent Anisotropic Liquid

We investigate a multicomponent anisotropic liquid system. The first spatial moment of the direct correlation function is taken into account to obtain asymptotic expressions for the pairwise correlation functions. In this approximation, we obtain the pairwise correlation functions that describe the system behavior not only in the critical-state neighborhood but also in the noncritical domain. We show that the critical parameters for the anisotropic system differ from those for the isotropic system.     

De Sitter空间中具有常均曲率的类空超曲面（Ⅱ）

设Ｍ＾ｎ是Ｄｅ Ｓｉｔｔｅｒ空间Ｓ１＾ｎ＋１中具有常数平均曲率且第二基本形式长度的平方为常数的完备类空超曲面，若Ｓ≤２（ｎ－１）＾１／２，则Ｍ＾ｎ是等参超曲面。     

An algorithm for determining dynamically defined reaction paths (DDRP)

Summary A numerically stable and well-parallelizable curve variational algorithm is described for determining tangent curves of vector fields between two given stationary points. In particular, the method is suitable for finding reaction paths and saddle points on potential energy hypersurfaces (PHS). The stability of the procedure is illustrated by an artificial mathematical function, showing phases of following the reaction on the PHS.Dedicated to Professor Zoltán G. Szabó, the great teacher and scientist in reaction kinetics and in many other fields of physical chemistry, on his 84th birthday.     

Crystal Structures of Twisted Di(2-Pyridyl)ketone and Planar Azo-di(2-Pyridine) and Their Discussion Based on PM3 Enthalpy Hypersurfaces for the Isoelectronic Molecules

Single crystal structure determinations prove the two pyridine substituents in di(2-pyridyl)ketone (H₄C₄NC)₂C=O to be twisted out of the carbonyl skeleton plane by torsion angles (OCCN) of 41° and –163°, in contrast to their planar arrangement in azo-di(2-pyridine) H₄C₄NC)-N=N-(CNC₄H₄). In order to rationalize the surprising difference between the two isoelectronic molecules, approximate PM3 enthalpy of formation hypersurfaces have been calculated for each of the two ring torsions, which are assumed to be the dominant ones among the 3N – 6 = 60 degrees of freedom. For both the ketone and the azo derivative, global minima are calculated, the torsion angles of which deviate from the crystal structure results, and, therefore, support the assumption that both the experimentally determined twisting of di(2-pyridyl)ketone as well as the flattening of azo-di(2-pyridine) might be affected by the crystal packing.     

The Mathematical Theory of Ito Diffusions on Hypersurfaces, with Applications to NMR Relaxation Problems

A mathematical framework for translational Brownian motion on hypersurfaces is presented, using an imbedding of the surface and Ito diffusions in the ambient space. This includes a survey of Ito calculus and differential geometry. Computational methods for time correlation functions relevant to spin relaxation studies on curved interfaces are given, and explicit calculations of time correlation functions and order parameters for a Rippled surface are presented.     

Phenomenology of nonlocal cellular automata

Dynamical systems with nonlocal connections have potential applications to economic and biological systems. This paper studies the dynamics of nonlocal cellular automata. In particular, all two-state, three-input nonlocal cellular automata are classified according to the dynamical behavior starting from random initial configurations and random wirings, although it is observed that sometimes a rule can have different dynamical behaviors with different wirings. The nonlocal cellular automata rule space is studied using a mean-field parametrization which is ideal for the situation of random wiring. Nonlocal cellular automata can be considered as computers carrying out computation at the level of each component. Their computational abilities are studied from the point of view of whether they contain many basic logical gates. In particular, I ask the question of whether a three-input cellular automaton rule contains the three fundamental logical gates: two-input rules AND and OR, and one-input rule NOT. A particularly interesting edge-of-chaos nonlocal cellular automaton, the rule 184, is studied in detail. It is a system of coupled selectors or multiplexers. It is also part of the Fredkin's gate—a proposed fundamental gate for conservative computations. This rule exhibits irregular fluctuations of density, large coherent structures, and long transient times.     

伪辛空间的生成及其表现形式

通过对辛空间的深入分析和研究,从空间中的度量与向量的迷向性问题入手并展开较为详细的讨论,定义"伪辛"的概念,阐述"辛"概念的演变、扩充与伪辛空间生成的事实,进而揭示伪辛空间的本质属性及其与辛空间的内在联系与区别.论述过程同时给出了伪辛空间关于辛空间的内蕴和外延表示式.     

Closure modeling in bridging regions of variable-resolution (VR) turbulence computations

Optimal utilization of computational resources mandates spatio-temporal variation in resolution for computing complex engineering flows. Closure modeling in regions bridging between different resolutions is rendered difficult due to changing interactions between resolved and unresolved fields. We develop a closure model for the bridging region based on energy conservation principles. Then we proceed to provide a proof of concept in decaying isotropic turbulence with temporally varying resolution. The simplicity of the flow permits a thorough examination of various aspects of the proposed closure not feasible in more complex flows. The results demonstrate the potential promise of the approach, but more validation studies need to be performed.While the present development is in the context of partially averaged Navier–Stokes (PANS) method, the closure principle should apply for other variable-resolution (VR) approaches.