大地电磁测深视电阻率和相位曲线之间近似互算方法及程序实现

介绍了大地电磁测深曲线中视电阻率曲线和相位曲线之间互相近似推算的原理和方法,并给出基于MATLAB平台的主要实现代码,为实测视电阻率曲线和相位曲线的编辑和处理提供了一种近似参考依据。

Two-stage evolutionary algorithm for dynamic multicast routing in mesh network

In order to share multimedia transmissions in mesh networks and optimize the utilization of network resources, this paper presents a Two-stage Evolutionary Algorithm (TEA), i.e., unicast routing evolution and multicast path composition, for dynamic multicast routing. The TEA uses a novel link-duplicate-degree encoding, which can encode a multicast path in the link-duplicate-degree and decode the path as a link vector easily. A dynamic algorithm for adding nodes to or removing nodes from a multicast group and a repairing algorithm are also covered in this paper. As the TEA is based on global evaluation, the quality of the multicast path remains stabilized without degradation when multicast members change over time. Therefore, it is not necessary to rearrange the multicast path during the life cycle of the multicast sessions. Simulation results show that the TEA is efficient and convergent.

Multi-domain modeling and simulation of proportional solenoid valve

A multi-domain nonlinear dynamic model of a proportional solenoid valve was presented.The electro-magnetic,mechanical and fluid subsystems of the valve were investigated,including their interactions.Governing equations of the valve were derived in the form of nonlinear state equations.By comparing the simulated and measured data,the simulation model is validated with a deviation less than 15%,which can be used for the structural design and control algorithm optimization of proportional solenoid valves.

Advantages and Drawbacks of Quantum Mechanical Static and Dynamic Approaches to Modelling Infrared Spectra

We present quantum mechanical vibrational computations beyond the harmonic approximation from effective second order perturbative and variation perturbation treatments defined as static approaches, as well as vibrational analysis from density functional theory molecular dynamics trajectories at 300 and 600 K. The four schemes are compared in terms of prediction of fundamental transitions, and simulation of the corresponding medium infrared spectrum at the same level of theory using the B3LYP/6-31＋G（d,p） description of the electronic structure. We summarize conclusions about advantages and drawbacks of these two approaches and report the main results obtained for semi-rigid and flexible molecules.

Numerical Investigation of an Oscillating Airfoil using Immersed Boundary Method

Based on the immersed boundary method, a numerical simulation for an oscillating airfoil is established and a preliminary analysis of the oscillating airfoil is presented with an emphasis on the physical understanding of fluid-structure interaction. In order to validate the method, two simulation cases： oscillating circular cylinder at low K-C number and two degrees of freedom oscillating cylinder are carded out first and the results are in good agreement with the previous re：searches. In the oscillating airfoil simulation, it is found that the reduced velocity U^＊. is a very sensitive factor and especially U^＊-2.8 is the critical stable boundary in the present work. The method shows the predominance of time saving in computational process for such a complicated fluid-structure interac- tion problem.

Optimization of CHARMM force field parameters for the chalcone fragment

In this work,we developed the CHARMM all-atom force field parameters for the nonstandard biological residue chalcone,followed by the standard protocol for the CHARMM27 force field development.Target data were generated via ab initio calculations at the MP2/6-31G* and HF/6-31G* levels.The reference data included interaction energies between water and the model compound F(a fragment of chalcone).Bond,angle,and torsion parameters were derived from the ab initio calculations and renormalized to maintain compatibility with the existing CHARMM27 parameters of standard residues.The optimized CHARMM parameters perform well in reproducing the target data.We expect that the extension of the CHARMM27 force field parameters for chalcone will facilitate the molecular simulation studies of the reaction mechanism of intramolecular cyclization of chalcone catalyzed by chalcone isomerase.

Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems

Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many biological and soft matter materials solvable in solvents.The appropriate treatment of long-range electrostatic interaction is essential for these charged systems,but remains a challenging problem for large-scale simulations.We develop an efficient Barnes-Hut treecode algorithm for electrostatic evaluation in Monte Carlo simulations of Coulomb many-body systems.The algorithm is based on a divide-and-conquer strategy and fast update of the octree data structure in each trial move through a local adjustment procedure.We test the accuracy of the tree algorithm,and use it to perform computer simulations of electric double layer near a spherical interface.It is shown that the computational cost of the Monte Carlo method with treecode acceleration scales as log N in each move.For a typical system with ten thousand particles,by using the new algorithm,the speed has been improved by two orders of magnitude from the direct summation.