Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N = 3n + 1 approximate to 500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with N-A not equal N-B. The ground state (GS) and spin densities rho(r) = < S-r(z)> at site r are quite different for junctions with S = 1/2, 1, 3/2, and 2. The GS has finite total spin S-G = 2S(S) for even (odd) N and for M-G = S-G in the S-G spin manifold, rho(r) > 0(< 0) at sites of the larger (smaller) sublattice. S = 1/2 junctions have delocalized states and decreasing spin densities with increasing N. S = 1 junctions have four localized S-z = 1/2 states at the end of each arm and centered on the junction, consistent with localized states in S = 1 chains with finite Haldane gap. The GS of S = 3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S = 1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S = 3/2 or 2 junctions.

A real-time coherent dedispersion pipeline for the giant metrewave radio telescope

A fully real-time coherent dedispersion system has been developed for the pulsar back-end at the Giant Metrewave Radio Telescope (GMRT). The dedispersion pipeline uses the single phased array voltage beam produced by the existing GMRT software back-end (GSB) to produce coherently dedispersed intensity output in real time, for the currently operational bandwidths of 16 MHz and 32 MHz. Provision has also been made to coherently dedisperse voltage beam data from observations recorded on disk. We discuss the design and implementation of the real-time coherent dedispersion system, describing the steps carried out to optimise the performance of the pipeline. Presently functioning on an Intel Xeon X5550 CPU equipped with a NVIDIA Tesla C2075 GPU, the pipeline allows dispersion free, high time resolution data to be obtained in real-time. We illustrate the significant improvements over the existing incoherent dedispersion system at the GMRT, and present some preliminary results obtained from studies of pulsars using this system, demonstrating its potential as a useful tool for low frequency pulsar observations. We describe the salient features of our implementation, comparing it with other recently developed real-time coherent dedispersion systems. This implementation of a real-time coherent dedispersion pipeline for a large, low frequency array instrument like the GMRT, will enable long-term observing programs using coherent dedispersion to be carried out routinely at the observatory. We also outline the possible improvements for such a pipeline, including prospects for the upgraded GMRT which will have bandwidths about ten times larger than at present.

Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

A real-space high order finite difference method is used to analyze the effect of spherical domain size on the Hartree-Fock (and density functional theory) virtual eigenstates. We show the domain size dependence of both positive and negative virtual eigenvalues of the Hartree-Fock equations for small molecules. We demonstrate that positive states behave like a particle in spherical well and show how they approach zero. For the negative eigenstates, we show that large domains are needed to get the correct eigenvalues. We compare our results to those of Gaussian basis sets and draw some conclusions for real-space, basis-sets, and plane-waves calculations. (C) 2016 AIP Publishing LLC.

An experimental study on turbulent coherent structures near a sheared air-water interface

The turbulence structures near a sheared air-water interface were experimentally investigated with the hydrogen bubble visualization technique. Surface shear was imposed by an airflow over the water flow which was kept free from surface waves. Results show that the wind shear has the main influence on coherent structures under air-water interfaces. Low- and high- speed streaks form in the region close to the interface as a result of the imposed shear stress. When a certain airflow velocity is reached, "turbulent spots" appear randomly at low-speed streaks with some characteristics of hairpin vortices. At even higher shear rates, the flow near the interface is dominated primarily by intermittent bursting events. The coherent structures observed neat sheared air-water interfaces show qualitative similarities with those occurring in near-wall turbulence. However, a few distinctive phenomena were also observed, including the fluctuating thickness of the instantaneous boundary layer and vertical vortices in bursting processes, which appear to be associated with the characteristics of air-water interfaces.

Strength of Offshore Pipelines in Different Operation States and Analyzing Software

在近海管线的铺设、安装、使用过程中有多种作业状态：在位、悬跨、挖沟、提吊、铺管等。各种状态下管线的受力特点不同,加上管线结构、海况和海底土壤等因素又都很复杂,所以近海管线的强度分析难度大、内容多。分别采用解析方法、数值方法（有限元法、打靶法）和二者结合来解决理论上的（如几何非线性、动边界等）、实用性方面的难点。在理论分析的基础上,编制了符合产业部门工程师使用要求的近海管线强度分析软件。介绍了该软件进行力学分析时采用的理论以及软件界面。

Capacity approaching codes for non-coherent orthogonal modulation

This paper describes a curve-fitting approach for the design of capacity approaching coded modulation for orthogonal signal sets with non-coherent detection. In particular, bit-interleaved coded modulation with iterative decoding is considered. Decoder metrics are developed that do not require knowledge of the signal-to-noise ratio, yet still offer very good performance. © 2007 IEEE.

Evolution of three-dimensional coherent structures in compressible axisymmetric jet

A high order difference scheme is used to simulate the spatially developing compressible axisymmetric jet. The results show that the Kelvin-Helmholtz instability appears first when the jet loses its stability, and then with development of jet the increase in nonlinear effects leads to the secondary instability and the formation of the streamwise vortices. The evolution of the three-dimensional coherent structure is presented. The computed results verify that in axisymmetric jet the secondary instability and formation of the streamwise vortices are the important physical mechanism of enhancing the flow mixing and transition occurring.

Behaviour analysis of numerical solutions and simulation of coherent structures in compressible mixing layers

For understanding the correctness of simulations the behaviour of numerical solutions is analysed, Tn order to improve the accuracy of solutions three methods are presented. The method with GVC (group velocity control) is used to simulate coherent structures in compressible mixing layers. The effect of initial conditions for the mixing layer with convective Mach number 0.8 on coherent structures is discussed. For the given initial conditions two types of coherent structures in the mixing layer are obtained.

Population of nonnative states of lysozyme variants drives amyloid fibril formation.

The propensity of protein molecules to self-assemble into highly ordered, fibrillar aggregates lies at the heart of understanding many disorders ranging from Alzheimer's disease to systemic lysozyme amyloidosis. In this paper we use highly accurate kinetic measurements of amyloid fibril growth in combination with spectroscopic tools to quantify the effect of modifications in solution conditions and in the amino acid sequence of human lysozyme on its propensity to form amyloid fibrils under acidic conditions. We elucidate and quantify the correlation between the rate of amyloid growth and the population of nonnative states, and we show that changes in amyloidogenicity are almost entirely due to alterations in the stability of the native state, while other regions of the global free-energy surface remain largely unmodified. These results provide insight into the complex dynamics of a macromolecule on a multidimensional energy landscape and point the way for a better understanding of amyloid diseases.