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检索条件"主题词=computer simulation of molecular and particle dynamics"
22 条 记 录,以下是1-10 订阅
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Hydrodynamics of binary-fluid mixtures -An augmented Multiparticle Collison dynamics approach
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EPL 2018年 第2期121卷 24003-24003页
作者: Eisenstecken, Thomas Hornung, Raphael Winkler, Roland G. Gompper, Gerhard Forschungszentrum Julich Inst Adv Simulat Theoret Soft Matter & Biophys D-52425 Julich Germany Forschungszentrum Julich Inst Complex Syst D-52425 Julich Germany
The Multiparticle Collision dynamics technique (MPC) for hydrodynamics simulations is generalized to binary-fluid mixtures and multiphase flows, by coupling the particle-based fluid dynamics to a Ginzburg-Landau free-... 详细信息
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Bond-breaking mechanism of vitreous silica densification by IR femtosecond laser pulses
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EPL 2016年 第2期114卷 26004-26004页
作者: Shcheblanov, Nikita S. Povarnitsyn, Mikhail E. Univ Missouri Dept Mech & Aerosp Engn E 2412 Lafferre Hall Columbia MO 65211 USA Univ Lyon 1 CNRS Inst Lumiere Mat UMR 5306 F-69622 Villeurbanne France RAS Joint Inst High Temp 13 Bld 2 Izhorskaya Str Moscow 125412 Russia
The densification of the vitreous silica (v-SiO2) due to laser irradiation appears reasonable to cause the change in refractive index. In this letter, the v-SiO2 densification under IR femtosecond laser irradiation is... 详细信息
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Rectification and phase locking of graphite
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Frontiers of physics 2015年 第4期10卷 111-118页
作者: Zhen-Bin Zhang Ru-Juan Jia Jasmina Tekic Yang Yang Cang-Long Wang Jia-Wei Li Xiao-Yun Wang Wen-Shan Duan Lei Yang College of Physics and Electronic Engineering Northwest Norvnal University Lanzhou 730070 China Theoretical Physics Department 020 "Vinca" Institute of Nuclear Sciences University of Belgrade P.O. Box 522 11001 Belgrade Serbia Institute of Modern Physics Chinese Academy of Sciences Lanzhou 730000 China Department of Chemistry Northwest Normal University Lanzhou 730070 China Department of Mathematics and Physics Lanzhou Jiao Tong University Lanzhou 730070 China
Rectification phenomena and the phase locking in a two-dimensional overdamped Frenkel-Kontorova model with a graphite periodic substrate were studied. The presence of dc and ac forces in the longitudinal direction cau... 详细信息
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Accurate modelling of flow induced stresses in rigid colloidal aggregates
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computer PHYSICS COMMUNICATIONS 2015年 192卷 70-90页
作者: Vanni, Marco Politecn Torino Dip Sci Applicata & Tecnol I-10129 Turin Italy
A method has been developed to estimate the motion and the internal stresses induced by a fluid flow on a rigid aggregate. The approach couples Stokesian dynamics and structural mechanics in order to take into account... 详细信息
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Relaxation of curvature-induced elastic stress by the Asaro-Tiller-Grinfeld instability
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EPL 2015年 第4期111卷 48006-48006页
作者: Koehler, C. Backofen, R. Voigt, A. Tech Univ Dresden Inst Comp Sci D-01062 Dresden Germany Tech Univ Dresden CfAED D-01062 Dresden Germany
A two-dimensional crystal on the surface of a sphere experiences elastic stress due to the incompatibility of the crystal axes and the curvature. A common mechanism to relax elastic stress is the Asaro-Tiller-Grinfeld... 详细信息
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Crossovers in supercooled solvation water: Effects of hydrophilic and hydrophobic interactions
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EPL 2015年 第3期110卷
作者: Titantah, John Tatini Karttunen, Mikko Univ Western Ontario Dept Appl Math London ON N6A 3K7 Canada Univ Waterloo Dept Chem Waterloo ON N2L 3G1 Canada Univ Waterloo Waterloo Inst Nanotechnol Waterloo ON N2L 3G1 Canada Eindhoven Univ Technol Dept Math & Comp Sci NL-5600 MB Eindhoven Netherlands Eindhoven Univ Technol Inst Complex Mol Syst NL-5600 MB Eindhoven Netherlands
Systematic 8 ns ab initio molecular dynamics (AIMD) were performed to study the structure and dynamics of water in bulk and close to hydrophobic (CH3) and hydrophilic (carbonyl) groups of tetramethylurea (TMU). Dynami... 详细信息
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Melt of polymer rings: The decorated loop model
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EPL 2014年 第4期105卷 48005-48004页
作者: Obukhov, S. Johner, A. Baschnagel, J. Meyer, H. Wittmer, J. P. CNRS UdS Inst Charles Sadron F-67034 Strasbourg 2 France Univ Florida Dept Phys Gainesville FL 32611 USA
Melts of unconcatenated and unknotted polymer rings are a paradigm for soft matter ruled by topological interactions. We propose a description of a system of rings of length N as a collection of smaller polydisperse G... 详细信息
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Osmosis with active solutes
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EPL 2014年 第3期106卷 34003-34003页
作者: Lion, Thomas W. Allen, Rosalind J. Univ Edinburgh Sch Phys & Astron SUPA Edinburgh EH9 3JZ Midlothian Scotland
Despite much current interest in active matter, little is known about osmosis in active systems. Using molecular dynamics simulations, we investigate how active solutes perturb osmotic steady states. We find that solu... 详细信息
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Polymorphic crystals selected in the nucleation stage
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EPL 2014年 第4期107卷 46002-46002页
作者: Zhang, Hui-Jun Peng, Shu-Ming Zhou, Xiao-Song Ju, Xin Univ Sci & Technol Beijing Sch Math & Phys Beijing 100083 Peoples R China China Acad Engn Phys Inst Nucl Phys & Chem Mianyang 621900 Peoples R China
molecular dynamics simulations are used to explore the atomic mechanism of formation of polymorphic crystals. Cooling the Lennard-Jones systems, we observe that the system almost always evolves into a polymorphic crys... 详细信息
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The influence of middle B-block polydispersity on the molecular configurations and lamellar structure characteristics of lamella-forming ABA triblock copolymers
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EPL 2013年 第6期103卷 68001-68001页
作者: Li, Y. Qian, H. J. Lu, Z. Y. Jilin Univ Inst Theoret Chem State Key Lab Theoret & Computat Chem Changchun 130023 Peoples R China
A recent experimental study (Widin J. M., Schmitt A. K., Schmitt A. L., Im K. and Mahanthappa M. K., J. Am. Chem. Soc., 134 (2012) 3834) showed that polydispersity of the middle B-block has large effects on the phase ... 详细信息
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