Harmonics in the stress response of a WCA-Lennard-Jones liquid under oscillatory elongational flow

The WCA fluid shows a nonlinear behaviour toward a periodic elongational flow through the presence of higher harmonics in stress responses. At the same time the liquid remains purely viscous and isotropic. The absence of numerical artefacts is checked and the physical origin of the harmonics is discussed.     

Cantor-type cylindrical-coordinate method for differential equations with local fractional derivatives

In this Letter, we propose to use the Cantor-type cylindrical-coordinate method in order to investigate a family of local fractional differential operators on Cantor sets. Some testing examples are given to illustrate the capability of the proposed method for the heat-conduction equation on a Cantor set and the damped wave equation in fractal strings. It is seen to be a powerful tool to convert differential equations on Cantor sets from Cantorian-coordinate systems to Cantor-type cylindrical-coordinate systems.     

On the greedy solution in integer linear programming

A version of the greedy method not using any knapsack relaxation of the integer programming problem is considered in this paper. It is based on a natural partial ordering of the vectors. Our aim is to determine a large class of problems where the greedy solution is always optimal. The results generalize some theorems of an early paper of Magazine, Nemhauser and Trotter and at the same time show a connection between two different notions of combinatorics: the greedy method and the Hilbert basis.

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Zusammenfassung In dieser Arbeit wird eine Version des Greedy-Algorithmus zur Lösung ganzzahliger linearer Optimierungsprobleme benutzt, die kein Rucksackproblem als Relaxation verwendet. Das Verfahren basiert auf der natürlichen partiellen Ordnung von Vektoren. Ziel der Arbeit ist es, eine möglichst große Problemklasse zu beschreiben, für die die Greedy-Lösung optimal ist. Die Ergebnisse verallgemeinern Sätze einer früheren Arbeit von Magazine, Nemhauser und Trotter und zeigen gleichzeitig einen Bezug zwischen zwei verschiedenen Gebieten der Kombinatorik auf: des Greedy-Verfahrens und von Hubert-Basen.

     

Numerical analysis for factorial data analysis. Part II: Special purpose hardware—the programmable systolic array SARDA

The second part of this paper deals with the systolic implementation of the computational kernel for factorial data analysis, defined in Part I, on special-purpose hardware. The framework of the study is that a sequence of different algorithms has to be performed on a unique hardware array. This fact has led us to the design of the programmable systolic array SARDA: this is a triangular array which consists of programmable nodes with local memory and programmable orthogonal connections.     

Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)6]3+coordination complex in the sulfate alums series: a ligand field theory study

A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting(ZFS) parameter D and local distortion parameter △θ for Cr 3+ ions doped,separately,in α-and β-alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed.     

Two-dimensional commensurate soliton structures

A phase diagram of pinned soliton structures in two dimensions has been found for a repulsive interactionU(x) between solitons withU(x)>0. The critical fugacity of the commensurate soliton structure is shown to be proportional toU(l), wherel is the period of this structure.     

The attractor—basin portrait of a cellular automaton

Local space-time structures, such as domains and the intervening dislocations, dominate a wide class of cellular automaton (CA) behavior. For such spatially-extended dynamics regular domains, vicinities, and attractors are introduced as organizing principles to identify the discretized analogs of attractors, basins, and separatrices: structures used in classifying dissipative continuous-state dynamical systems. We describe the attractor-basin portrait of nonlinear elementary CA rule 18, whose global dynamics is largely determined by a single regular attracting domain. The latter's basin is analyzed in terms of subbasin and portal structures associated with particle annihilation. The conclusion is that the computational complexity of such CA is more apparent than real. Transducer machines are constructed that automatically identify domain and dislocation structures in space-time, count the number of dislocations in a spatial pattern, and implement an isomorphism between rule 18 and rule 90. We use a transducer to trace dislocation trajectories, and confirm that in rule 18, isolated dislocation trajectories, as well as a dislocation gas, agree extremely well with the classical model of annihilating diffusive particles. The CA efficiently transforms randomness of an initial pattern ensemble into a random walk of dislocations in space-time.     

On Convergence of a Least-Squares Kansa's Method for the Modified Helmholtz Equations

We analyze a least-squares asymmetric radial basis function collocation method for solving the modified Helmholtz equations. In the theoretical part, we proved the convergence of the proposed method providing that the collocation points are sufficiently dense. For numerical verification, direct solver and a subspace selection process for the trial space (the so-called adaptive greedy algorithm) is employed, respectively, for small and large scale problems.     

广西大风子中2个新木脂素的NMR研究

从广西大风子的皮中分离得到两个新木脂素1和2,并通过高分辨质谱和核磁共振确定了其结构. 利用多种二维核磁共振技术,包括HSQC, HMBC, DQF-COSY 和NOESY谱,对其碳氢信号进行了全归属. 毛细管电泳分析显示1和2均为外消旋体.