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国家自然科学基金(20490201)

作品数:14 被引量:57H指数:5
相关作者:葛蔚陈飞国李静海唐德翔郭力更多>>
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中国科学院知识创新工程重要方向项目更多>>
相关领域:理学自动化与计算机技术石油与天然气工程化学工程更多>>

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14 条 记 录,以下是 1-10
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The mechanism of pattern formation in the developing drosophila retina
2007年
The biological patterning of the drosophila retina in vivo has striking resemblance to liquid bubbles, in which the surface mechanics due to N-cadherin within a sub-group of retina cells can be mimicked by surface tension. In this work, the aggregating patterns were reasonably simplified into 2D clusters consisting of 2—6 identical bubbles confined within a shrinking boundary. By using a hybrid fluid dy-namics model proposed for liquid foams, the aggregating process of 2―6 retina cells was studied. Assuming the minimal perimeter for patterning cells to be the condition of stability patterns, the stable converged patterns we simulated in this work are the same as the experimental observations. More importantly, a new pattern of 6 cells was obtained which was found physically more stable than the other two reported by Hayashi and Carthew[1]. Aggregating perimeters of cells, i.e. the surface energy, showed a good linear fit with the cell numbers.
SUN QiCheng Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100080, China
关键词:DROSOPHILARETINACONEPHYSICSCONDITION
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
Particle methods for multi- scale simulation of complex flows被引量:8
2005年
The multi-scale structures of complex flows have been great challenges to both theoretical and engineer-ing researches, and multi-scale modeling is the natural way in response. Particle methods (PMs) are ideal constitutors and powerful probes of multi-scale models, owing to their physical insight and computational simplicity. In this paper, the role of different PMs for multi-scale modeling of complex flows is critically reviewed and possible development of PMs in this background is prospected, with the emphasis on pseudo-particle modeling (PPM). The performances of some different PMs are compared in simulations and new devel-opment in the fundamentals and applications of PPM is also reported, demonstrating PPM as a unique PM for multi-scale modeling.
GEWei MAJingsen ZHANGJiayuan TANGDexiang CHENFeiguo WANGXiaowei GUOLi LIJinghai
关键词:动力学仿真
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
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
Progress in studies of natural gas conversion in China被引量:3
2008年
Progress in natural gas conversion in China is presented in this paper, including processes of natural gas to synthesis gas (syngas), syngas to liquid hydrocarbons, oxygenates synthesis, methanol to olefins (MTO), methane to aromatics and oxidative coupling of methane (OCM).
Yu Changchun Shen Shikong
关键词:METHANEGTLALCOHOLS
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
Prediction of Minimum Spouting Velocity at Elevated Pressures and Temperatures
2006年
Minimum spouting velocity (Ums) is one of the most important flow characteristics for proper design and operation of spouted bed reactors. Many correlations for Ums have been published since spouted bed technology was initiated in 1955. In this paper, a new correlation is developed for Ums based on 767 published experimental data covering both high pressure and high temperature conditions. The calculated and the measured results of Ums are in better agreement than other published correlations.
Wei WeishengBao XiaojunLim C. J.Bi H. T.
气体微通道流动的传递特性
2006年
采用微观的拟颗粒模型研究了努森数在0.01~0.20范围内气体微通道流动的速度和温度分布.发现速度分布主要受努森数和所加外场力的影响,随努森数增加,壁面滑移速度先增后降,而温度分布也受外力场的显著影响.达(Darcy)摩擦因子随努森数增大而增大,而它随马赫数的变化与所谓层流向湍流转捩提前的趋势相似.
王利民葛蔚陈飞国
关键词:微通道马赫数
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
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