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国家自然科学基金(20336040)

作品数:19 被引量:103H指数:6
相关作者:葛蔚李静海孙其诚郭力黄晋更多>>
相关机构:中国科学院过程工程研究所中国科学院研究生院更多>>
发文基金:国家自然科学基金中国科学院知识创新工程创新研究群体科学基金更多>>
相关领域:理学自动化与计算机技术化学工程生物学更多>>

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19 条 记 录,以下是 1-10
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复杂边界模拟中初始条件的实现方法被引量:2
2007年
提出一种新颖的生成初始粒子信息方法,介绍了从图像直接生成初始粒子分布的过程,利用Matlab和C++程序实现了复杂几何形状区域上初始粒子的生成,为粒子方法模拟复杂边界的多相流体系及流动、传递和反应相耦合的过程提供了有效支持。通过模拟肺呼吸的粒子初始化的实验表明,利用该方法能方便、准确地生成复杂的二维几何边界的初始粒子分布。
王利民葛蔚
关键词:计算机模拟
复杂多相流动分子动力学模拟在GPU上的实现被引量:19
2008年
利用CUDA(Compute Unified Device Architecture)技术进行了图形处理器(GPU)上的分子动力学(MD)模拟.在一片TeslaC870上,其速度20~60倍于Intel Xeon 5430 CPU之单核,最高可达150 Gflops.通过方腔流及颗粒一气泡接触等实例初步展示了此方式从微观上模拟介观行为的能力.
陈飞国葛蔚李静海
关键词:分子动力学CUDAGPU并行计算
高阶蔡氏电路及其FPGA实现
基于一个典型的三阶蔡氏电路,通过在其电感支路中串入一个由负电阻、电容、电感和电阻组成的π型子电路,本文构建出五阶、六阶和七阶蔡氏电路。基于数字化处理技术,通过对系统的连续时间状态方程进行离散化处理和变量比例变换,我们进一...
禹思敏吕金虎
关键词:混沌吸引子FPGA硬件实现
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Performance Comparison Between Classical and Quantum Control for a Simple Quantum System
Bran’czyk et.al pointed out that the quantum control scheme is superior to the classical control scheme for a ...
Xi Zairong1 1.Academy of Mathematics and Systems Science,Chinese Academy of Sciences,Beijing 100080,P.R.China
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复杂流动多尺度模拟中的粒子方法被引量:8
2005年
复杂流动中的多尺度结构对理论和工程研究都是巨大的挑战,而多尺度方法也成为其必然的选择.粒子方法(particlemethod,PM)是多尺度方法的理想组件和有力的研究手段.以此为背景,从拟颗粒模拟出发,比较了一些粒子方法在模拟中的精度和效率,综述了不同粒子方法在复杂流动多尺度模拟中的作用,介绍了基础和应用研究上的一些进展,并对今后的研究方向进行了展望.
葛蔚麻景森张家元唐德翔陈飞国王小伟郭力李静海
关键词:动力学流体
分子动力学模拟软件GROMACS向GPGPU移植初探
GPGPU(General-purpose computing on graphics processingunits)技术能够使用图形处理器完成通用计算,将GPGPU用于计算强度大的科学计算是高性能计算的最新发展趋势[...
严历郭力李晓霞
关键词:分子动力学GROMACSGPGPUCUDA
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Pseudo-particle modeling for gas flow in microchannels被引量:5
2007年
The velocity profiles and temperature distributions of gas flow in microchannels, for Knudsen numbers ranging from 0.01 to 0.20, are investigated with pseudo-particle modeling (PPM). It has been found that the velocity profiles are mainly affected by Knudsen number and the external force fields applied. When Knudsen number was increased, the slip velocities on the walls increased at the beginning, and then decreased. The temperature distributions were also significantly affected by the external force. The Darcy friction factor increased with increasing Knudsen number, and its variation with Mach number under increased Knudsen number was similar to the so-called premature laminar-turbulent transition observed in experiments.
WANG LiMinGE WeiCHEN FeiGuo
关键词:微通道气体流动马赫数
Influence of gravity on narrow input forced drainage in 2D liquid foams被引量:4
2007年
Liquid foam is a dense packing of gas bubbles in a small amount of liquid containing surfactants or other surface-active macromolecules, which is one of the highly organized materials and possesses hallmark rheological behaviour of soft matters. Forced foam drainage is the flow of constantly inputted liquid through the network of interstitial channels between bubbles under actions of gravity and capil-larity. This process involves two mechanisms: minimal viscous flow dissipation of liquid and minimal surface energy of bubbles. For constant surfactant solution, viscous dissipation usually varies with gravity. This work reports simulations of 2D forced foam drainage with narrow input in a Hele-Shaw cell under 8 different gravities, g, ranging from 9.8 to 0 ms?2. The spread of liquid both vertical due to gravity action, and horizontal due to capillary suction, is recorded over time. Positions of drainage wave fronts in both directions with time are found to be well described in the power law form, and the exponents are 0.536+5.29×10-3g and 0.479?7.27×10-3g, respectively, while the sum is close to a constant of 1.015 which is independent of gravity. For g=9.8 ms-2, the calculated exponents are in good agreement with experimental results by Hutzler et al. and Wang.
SUN QiCheng GE Wei HUANG Jin
关键词:微重力表面能
分子动力学模拟亲水性纳米窄缝中的聚乙烯分子
2008年
采用分子动力学模拟了两亲水性壁面间的聚乙烯分子水溶液.壁面间距(1.26~3.15nm)与聚乙烯分子的特征尺寸相当,随间距减小可以观察到聚乙烯分子构象从三维结构向二维结构的转变.同非受限状态相比,强受限情况下,化学键取向呈规则变化,亚甲基分层排布且沿垂直于壁面方向上的扩散运动显著降低.从热力学角度看,水分子运动空间增大对聚乙烯分子的构象熵减小做出补偿,以使体系自由能降低.
任瑛高健葛蔚李静海胡国华
关键词:分子动力学模拟
Molecular dynamics simulation of a single polymer in hydrophilic nano-slits被引量:2
2008年
The behavior of a single polyethylene polymer in aqueous solution confined between two hydrophilic walls is studied with molecular dynamics (MD) simulations. The thickness of the nano-slit ranges from 1.26 to 3.15 nm, which is comparative to the polymer dimension. A monotonic transition from 3D- to 2D-like configurations is observed as the distance between the two walls narrows. Monomers are compressed into several layers and the preferred bond orientations alternate between parallel and normal to the walls accordingly. The diffusivity in the direction parallel to the wall is always larger than the one perpendicular to it. Calculation of the entropy and enthalpy changes during the folding of the polymer chain alone cannot explain the spontaneous process. The corresponding increase in water entropy due to volume expansion may be large enough to result in the overall free energy decrease.
REN YingGAO JianGE WeiLI JingHaiHU GuoHua
关键词:分子动力学模拟
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