Electrical interaction between two cylinders with an ion-penetrable charged membrane in an oil/water interface

The electrical interaction between two long, parallel cylinders each is covered by an ion-penetrable charged membrane immersed in an oil/water interface is investigated. The effects of contact angle, radius of cylinder, and membrane thickness on the electrical interaction force are examined. The results of numerical simulation reveal that the following conditions lead to a greater electrical interaction force: (i) a larger contact angle, i.e. a larger fraction of a cylinder in the oil phase; (ii) a larger cylinder radius; and (iii) a thinner membrane. For a fixed ionic strength, the electrical interaction force is insensible to the type of electrolytes in the water phase, in general. However, if two cylinders are close enough, then the higher the valence of counterions the greater the electrical interaction force.     

PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing

Main characteristics are described of the PRIRODA quantum-chemical program suite designed for the study of complex molecular systems by the density functional theory, at the MP2, MP3, and MP4 levels of multiparticle perturbation theory, and by the coupled-cluster single and double excitations method (CCSD) with the application of parallel computing. A number of examples of calculations are presented.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 804–810, March, 2005.     

A microcapillary system for simultaneous, parallel microwave-assisted synthesis

A continuous flow, microwave-assisted, parallel-capillary microreactor has been developed. Libraries of drug candidates were prepared on the milligram scale with this reactor by injecting plugs of reagents from separate syringes into common reaction capillaries, thereby producing discrete compounds in excellent yield and purity. Microwave irradiation provides the necessary energy that existing room-temperature microreactor technology lacks for higher activation barrier transformations, producing the required amounts of desired compounds in minutes or less.     

GROMACS: fast, flexible, and free

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, originates from a parallel hardware project, and is well suited for parallelization on processor clusters. By careful optimization of neighbor searching and of inner loop performance, GROMACS is a very fast program for molecular dynamics simulation. It does not have a force field of its own, but is compatible with GROMOS, OPLS, AMBER, and ENCAD force fields. In addition, it can handle polarizable shell models and flexible constraints. The program is versatile, as force routines can be added by the user, tabulated functions can be specified, and analyses can be easily customized. Nonequilibrium dynamics and free energy determinations are incorporated. Interfaces with popular quantum-chemical packages (MOPAC, GAMES-UK, GAUSSIAN) are provided to perform mixed MM/QM simulations. The package includes about 100 utility and analysis programs. GROMACS is in the public domain and distributed (with source code and documentation) under the GNU General Public License. It is maintained by a group of developers from the Universities of Groningen, Uppsala, and Stockholm, and the Max Planck Institute for Polymer Research in Mainz. Its Web site is http://www.gromacs.org.     

Monte carlo calculations of the conformal charge

The conformal charge is an important quantity which characterizes the nature of the two-dimensional phase transition. We report a first attempt to use a new numerical method to calculate the conformal charge. In this paper, we apply our method to the 2-dimensional, ⁴, continuous-spin Ising model. By varying the parameters in the Hamiltonian, one can change continuously from the known Gaussian limit to the Ising limit. It is well known that the critical points for these two systems are not in the same universality class. We study this behavior for the Gaussian model, the single-well ⁴ model, the border model, and the double-well ⁴ model for a large lattice. Our results, while giving a good general picture, are not so far sufficient to differentiate whether the non-Gaussian cases studied belong to the Ising model universality class or not. Further studies of other lattice sizes should serve to improve greatly our conclusions.     

TMS320DM642多媒体处理系统中高性能音频功能的实现

介绍了在以新一代高性能处理器TMS320DM642为核心的多媒体处理系统中,采用音频编解码芯片TLV320AIC23实现高性能音频处理功能,详细说明了TMS320DM642多路音频串口McASP和内置集成电路总线的软硬件接口设计,并给出了TLV320AIC23初始化设置参数。     

GF(2p)LDPC编码的相位调制OFDM系统在瑞利衰落信道的性能

OFDM是一项能有效对抗高速无线通信中多径衰落的关键技术，为了进一步提高OFDM系统的误码性能，许多信道编码技术已被应用于OFDM系统中，二元域LDPC码以其近香农限的误码性能和较低的译码复杂度成为研究的热点。在AWGN信道下，多元域LDPC码比等效码长的二元域LDPC码有更好的纠错性能。本文提出了一种将多元域LDPC码经过MPSK调制后用于OFDM系统的新方法。仿真结果表明，在多径衰落信道下，通过合理选择多元LDPC码域的阶数和调制的方法，多元域LDPC编码的高阶调制OFDM系统比等效码长的二元域LDPC编码OFDM系统具有更好的性能，并且由于采用了多元域LDPC的快速BP译码，译码复杂度只是稍有增加。     

联合均衡和多重深度TCM译码技术研究

针对ATSC DTV系统,提出一种多重深度TCM译码作为软判决的联合均衡及译码方案,从而降低误差传播,提高了均衡器的性能.新方案仅增加了译码输出单元,复杂度较深度为1时增加并不大.当采用译码深度为1的TCM译码输出作为反馈,比硬判决反馈时的均衡器收敛门限降低了6 dB.当最大的译码深度增加到6时,均衡器收敛的门限进一步降低了3 dB,从而比硬判决时均衡器的收敛门限降低9 dB.     

DSP最小应用系统的设计

介绍了基于DSP(数字信号处理)的最小应用系统的整体设计过程。系统采用TMS320VC5402作为主控芯片;ADC0809完成数据的采样及A/D转换,通过TMS320VC5402处理后,由DAC0832完成D/A转换并输出;外部存储器采用通用EPROM,TMS320VC5402采用8位并行EPROM引导方式;并加入了标准的14针JTAG接口,便于系统的调试与仿真。     

Discontinuous Galerkin methods on graphics processing units for nonlinear hyperbolic conservation laws

We present a novel implementation of the modal DG method for hyperbolic conservation laws in two dimensions on graphics processing units (GPUs) using NVIDIA's Compute Unified Device Architecture. Both flexible and highly accurate, DG methods accommodate parallel architectures well as their discontinuous nature produces element‐local approximations. High‐performance scientific computing suits GPUs well, as these powerful, massively parallel, cost‐effective devices have recently included support for double‐precision floating‐point numbers. Computed examples for Euler equations over unstructured triangle meshes demonstrate the effectiveness of our implementation on an NVIDIA GTX 580 device. Profiling of our method reveals performance comparable with an existing nodal DG‐GPU implementation for linear problems. Copyright © 2014 John Wiley & Sons, Ltd.