Phase transition temperature of HPT(2,3,6,7,10,11-hexa-n-pentyloxytriphenylene) from molecule dynamic simulation

Molecule dynamics simulation was used on HPT(2,3,6,7,10,11-hexa-n-pentyloxytriphenylene), which is a discotic Liquid crystal. From analyzing the energy and displacement varying with the temperature, the phase transition temperature of PM6MPP can be predicted. The deviations of T-g, T-m and T-i due to the MD time scale are small enough that it should be possibly used to predict the material properties especially when more powerful computers are available.

Experimental study and simulation principles of an oil-gas multiphase transportation system

Presented is an experimental study on the performance of an oil-gas multiphase transportation system, especially on the multiphase flow patterns, multiphase pumping and multiphase metering of the system. A dynamic simulation analysis is conducted to deduce simulation parameters of the system and similarity criteria under simplified conditions are obtained. The reliability and feasibility of two-phase flow experiment with oil and natural gas simulated by water and air are discussed by using the similarity criteria.

Structural characterization of SiGe/Si single wells grown by disilane and solid-Ge molecular beam epitaxy with varied disilane cracking temperature

Structural properties of SiGe/Si single wells are studied by double-crystal X-ray diffraction. Four SiGe/Si single wells have been grown on Si (0 0 1) at 750 degrees C by disilane and solid-Ge molecular beam epitaxy with varied disilane cracking temperature. Using dynamic theory, together with kinematic theory and the specific growth procedure adopted, structural parameters in the multilayer structure are determined precisely. The results are compared with those obtained from PL and XTEM as well as AES measurements. It is found that disilane adsorption is dependent on cracking temperature as well as Ge incorporation. Disilane adsorption is increased by cracking disilane while it decreased with Ge incorporation (C) 1998 Elsevier Science B.V. All rights reserved.

Speed of the internal pellet target in CSRm

Pellet target is one of the main candidate targets in CSRm (cooler storage ring’s main ring) for hadron physics studies. Pellet speed is an important physical parameter for the target. Larger pellet speed could shorten the interacting time interval between the pellet and the cyclotron beam, and thus results in a small temperature variation for the pellet. This could make the pellet facility work in a stable condition. A fluid dynamic simulation was carried out for the pellet speed, and it was found that the maximum speed for the target pellet may be restricted to about 100 m/s even if all working parameters were set to their optimal values.

Speed of the internal pellet target in CSRm

Pellet target is one of the main candidate targets in CSRm (cooler storage ring’s main ring) for hadron physics studies. Pellet speed is an important physical parameter for the target. Larger pellet speed could shorten the interacting time interval between the pellet and the cyclotron beam, and thus results in a small temperature variation for the pellet. This could make the pellet facility work in a stable con-dition. A fluid dynamic simulation was carried out for the pellet speed, and it was found that the maxi-mum speed for the target pellet may be restricted to about 100 m/s even if all working parameters were set to their optimal values.

Cellular automata: Simulating alpine tundra vegetation dynamics in response to global warming

This study attempts to model alpine tundra vegetation dynamics in a tundra region in the Qinghai Province of China in response to global warming. We used Raster-based cellular automata and a Geographic Information System to study the spatial and temporal vegetation dynamics. The cellular automata model is implemented with IDRISI's Multi-Criteria Evaluation functionality to simulate the spatial patterns of vegetation change assuming certain scenarios of global mean temperature increase over time. The Vegetation Dynamic Simulation Model calculates a probability surface for each vegetation type, and then combines all vegetation types into a composite map, determined by the maximum likelihood that each vegetation type should distribute to each raster unit. With scenarios of global temperature increase of I to 3 degrees C, the vegetation types such as Dry Kobresia Meadow and Dry Potentilla Shrub that are adapted to warm and dry conditions tend to become more dominant in the study area.

蛇形机器人水下蜿蜒运动的仿真研究

该文对中国科学院沈阳自动化所研制的水陆两栖蛇形机器人的水下蜿蜒运动进行受力分析并用ADAMS做了动力学仿真。从关节角函数的幅值、频率和体内形成波的个数三个方面对蛇形机器人前进速度的影响进行了仿真,得出以下结论:存在一个最优关节角函数幅值,使得蛇形机器人前进速度达到最大;增加频率和在满足形成蛇形曲线的体内形成波个数的情况下减少形成波的个数会使机器人前进的速度增加。

点云数据的曲面重构新算法

针对采用视觉测量方式得到的点云数据特点，提出了基于动力学数值仿真的网格曲面逼近方法。依据曲面曲率变化特性，该方法可对点云数据进行自适应压缩，并能显著提高逼近网格的品质，从而实现了点云数据的精确曲面重构。实际的算例结果表明，该方法实用可靠。

Numerical Simulation of Liquefaction Deformation of Sand Layer around Bucket Foundations under Dynamic Loadings

Bucket Foundations under Dynamic Loadings The liquefaction deformation of sand layer around a bucket foundation is simulated under equivalent dynamic ice-induced loadings. A simplified numerical model is presented by taking the bucket-soil interaction into consideration. The development of vertical and horizontal liquefaction deformations are computed under equivalent dynamic ice-induced loadings. Firstly, the numerical model and results are proved to be reliable by comparing them with the centrifuge testing results. Secondly, the factors and the development characteristics of liquefaction deformation are analyzed. Finally, the following numerical simulation results are obtained: the liquefaction deformation of sand layer increases with the increase of loading amplitude and with the decrease of loading frequency and sand skeleton’s strength. The maximum vertical deformation is located on the sand layer surface and 1/4 times of the bucket’s height apart from the bucket’s side wall (loading boundary). The maximum horizontal deformation occurs at the loading boundary. When the dynamic loadings is applied for more than 5 hours, the vertical deformation on the sand layer surface reaches 3 times that at the bottom, and the horizontal deformation at 2.0 times of the bucket height apart from the loading boundary is 3.3% of which on the loading boundary.

Dimensionless Analysis of the Simulation of Bucket Foundations under Dynamic Load

Firstly, the main factors are obtained by use of dimensionless analysis. Secondly, the time scaling factors in centrifuge modeling of bucket foundations under dynamic load are analyzed based on dimensionless analysis and control- ling equation. A simplified method for dealing with the conflict of scaling factors of the inertial and the percolation in sand foundation is presented. The presented method is that the material for experiments is not changed while the effects are modified by perturbation method. Thirdly, the characteristic time of liquefaction state and the characteristic scale of affected zone are analyzed.

Characterize dynamic conformational space of human CCR5 extracellular domain by molecular modeling and molecular dynamics simulation

The chemokine receptor CCR5 is the receptor for several chemokines and major coreceptor for R5 human immunodeficiency virus type-1 strains entry into cell. Three-dimensional models of CCR5 were built by using homology modeling approach and 1 ns molecular dynamics (MD) simulation, because studies of site-directed mutagenesis and chimeric receptors have indicated that the N-terminus (Nt) and extracellular loops (ECLs) of CCR5 are important for ligands binding and viral fusion and entry, special attention was focused on disulfide bond function, conformational flexibility, hydrogen bonding, electrostatic interactions, and solvent-accessible surface area of Nt and ECLs of this protein part. We found that the extracellular segments of CCR5 formed a well-packet globular domain with complex interactions occurred between them in a majority of time of MID simulation, but Nt region could protrude from this domain sometimes. The disulfide bond Cys20-Cys269 is essential in controlling specific orientation of Nt region and maintaining conformational integrity of extracellular domain. RMS comparison analysis between conformers revealed the ECL1 of CCR5 stays relative rigid, whereas the ECL2 and Nt are rather flexible. Solvent-accessible surface area calculations indicated that the charged residues within Nt and ECL2 are often exposed to solvent. Integrating these results with available experimental data, a two-step gp120-CCR5 binding mechanism was proposed. The dynamic interaction of CCR5 extracellular domain with gp120 was emphasized. (C) 2004 Elsevier B.V. All rights reserved.

Effects of Noise and Detection Error in a Dynamic Adaptive Optics System

It is well known that noise and detection error can affect the performances of an adaptive optics (AO) system. Effects of noise and detection error on the phase compensation effectiveness in a dynamic AO system are investigated by means of a pure numerical simulation in this paper. A theoretical model for numerically simulating effects of noise and detection error in a static AO system and a corresponding computer program were presented in a previous article. A numerical simulation of effects of noise and detection error is combined with our previous numeral simulation of a dynamic AO system in this paper and a corresponding computer program has been compiled. Effects of detection error, readout noise and photon noise are included and investigated by a numerical simulation for finding the preferred working conditions and the best performances in a practical dynamic AO system. An approximate model is presented as well. Under many practical conditions such approximate model is a good alternative to the more accurate one. A simple algorithm which can be used for reducing the effect of noise is presented as well. When signal to noise ratio is very low, such method can be used to improve the performances of a dynamic AO system.