A parallel implementation of the COLUMBUS multireference configuration interaction program

Summary In this work a parallel implementation of the COLUMBUS MRSDCI program system is presented. A coarse grain parallelization approach using message passing via the portable toolkit TCGMSG is used. The program is very well portable and runs on shared memory machines like the Cray Y-MP, Alliant FX/2800 or Convex C2 and on distributed memory machines like the iPSC/860. Further implementations on a network of workstations and on the Intel Touchstone Delta are in progress. Overall, results are quite satisfactory considering the complexity and the prodigious requirements, especially the I/O bandwidth, of MRCI programs in general. For our largest test case we obtain a speedup of a factor of 7.2 on an eight processor Cray Y-MP for that section of the program (hamiltonian matrix times trial vector product) which has been parallelized. The speedup for one complete diagonalization iteration amounts to 5.9. An absolute speed close to 1 GFLOPS is found. Results for the iPSC/860 show that ordinary disk I/O is certainly not sufficient in order to guarantee a satisfactory performance. As a solution for that problem, the implementation of a fully asynchronous distributed-memory model for certain data files is in preparation. On leave from: Bereich Informatik, Universität Leipzig, Augustusplatz 10/11, O-7010 Leipzig, Germany     

Anomalies of the partition coefficient and properties of crystals in the region of low concentrations of an isomorphous admixture. 1. Unusual decomposition of solid solutions of the NaCl—CdCl2 system

Solid solutions NaCl—CdCl₂ were studied in an interval of CdCl₂ concentrations of 0.05—3 mol.% by Raman spectroscopy. The molecular form Na₂CdCl₄ decomposes: Na₂CdCl₄ 2Na⁺ + Cd²⁺ + 2Cl₂ ^– + 2e^–; 2Na + 2e^– 2Na⁰. Free sodium atoms form color centers of crystal (F centers) in the region of jumpwise changing the partition coefficient of CdCl₂ in NaCl (K jump).     

Thermodynamique des melanges binaires LiPO3-Pb(PO3)2: Diagramme de phases et étude thermodynamique du liquide

Study of solid-liquid phase diagram of LiPO₃-Pb(PO₃)₂ binary system, in certain calcination conditions, shows the existence of several metastable phasis. When heated at a temperature of 723 K the binary mixtures lead uncompletely to a defined compound Pb₂Li(PO₃). On heating these ternary solid mixtures, three eutectic reactions have been observed: LiPO₃+Pb(PO₃)₂→Liquid at a temperature of 793 K(1) LiPO₃+Pb₂Li(PO₃)₅→Liquid at a temperature of 843 K (2) Pb₂Li(PO₃)₅+Pb(PO₃)₂→Liquid at a temperature of 891 K (3) The metastable liquid phase appears in the system at temperature of 793 K. DTA experiments performed on the binary LiPO₃-Pb(PO₃)₂ mixtures, show a superposition of two diagrams. The first one is metastable and the second represents the stable equilibrium phase diagram. Measurements of liquid enthalpy of binary LiPO₃-Pb(PO₃)₂ system at temperature of 979.65 K were reported. The corresponding values were very small and so the binary system can be considered as athermal. Assuming an ideal behaviour, the liquidus curves in the metastable diagram were calculated and the eutectic reaction (LiPO₃-Pb(PO₃)₂→Liquid) was confirmed at 793 K. This revised version was published online in August 2006 with corrections to the Cover Date.     

COMPLETE REDUCIBILITY FOR QUASILINEAR HYPERBOLIC SYSTEMS

In this paper we present a necessary and sufficient condition to guarantee the complete reducibility for quasilinear hyperbolic systems and give some examples.     

Multiple Jacobi Elliptic Function Solutions to Integrable Higher Order Broer-Kaup Equation in (2+1)-Dimensional Spaces

In this paper, we improve the method for deriving Jacobi elliptic function solutions of nonlinear evolution equations given in Ref. [12] and apply it to the integrable higher-order Broer-Kaup system in (2 1)-dimensional spaces.Some new elliptic function solutions are obtained.     

A novel optical technique for realizing real-time Logarithmic transformation

We propose a novel optical technique for performing real-time nonlinear transformation and particularly for realizing Logarithmic transformation     

First-order system least squares and the energetic variational approach for two-phase flow

This paper develops a first-order system least-squares (FOSLS) formulation for equations of two-phase flow. The main goal is to show that this discretization, along with numerical techniques such as nested iteration, algebraic multigrid, and adaptive local refinement, can be used to solve these types of complex fluid flow problems. In addition, from an energetic variational approach, it can be shown that an important quantity to preserve in a given simulation is the energy law. We discuss the energy law and inherent structure for two-phase flow using the Allen–Cahn interface model and indicate how it is related to other complex fluid models, such as magnetohydrodynamics. Finally, we show that, using the FOSLS framework, one can still satisfy the appropriate energy law globally while using well-known numerical techniques.     

电磁学中国际单位制和实用单位制之间的转换

给出了电磁学中通用的国际单位制及相当流行的实用单位制之间的简单并且便于记忆及使用的转换方式。     

Research on speckle noise of laser Doppler velocimeter for the vehicle self-contained navigation

A novel multipoint layer-type laser Doppler velocimeter (MLLDV) is designed to measure the velocity of a vehicle for the self-contained navigation system. In order to investigate the speckle's influence on the Doppler spectrum, formulas of time-lagged covariance and speckle broadening were derived for our MLLDV. Simulations and experiments are made for detailed analysis. The results show that the time-lagged covariance of photocurrent is directly proportional to the incident angle, and is inversely proportional to the elevation fluctuation of the ground together with the velocity of the vehicle. Speckle broadening is a function of the vehicle's velocity, the 1/e² Gaussian spot radius and the phase correlation length of the ground. For our MLLDV, Doppler frequency and Doppler broadening are both directly proportional to the velocity of the vehicle. Besides, the ratio between Doppler broadening and the corresponding Doppler frequency is about 0.72% when the speed of the vehicle varies from 0 to 9.6 m/s.     

Complex-valued fractional statistics for D-dimensional harmonic oscillators

A system of isotropic harmonic oscillators obeying the Polychronakos fractional statistics with a complex parameter in a space having the dimension D>1$D>1$ is studied. Temperature dependences of the thermodynamic functions are analyzed in different temperature domains. The nature of the observed phase transitions is clarified. Both numerical and analytical estimates for the critical temperature are made depending on the number of particles, space dimensionality, and statistics parameter. Approximate correspondence with some other fractional statistics types is established.