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  • 1
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 150-151 (Jan. 1994), p. 387-394 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 150-151 (Jan. 1994), p. 457-464 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2990-2990 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: © 2002 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 5842-5849 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A dissipative particle dynamics (DPD) simulation has been used to study the spontaneous vesicle formation of amphiphilic molecules in aqueous solution. The amphiphilic molecule is represented by a coarse-grained model, which contains a hydrophilic head group and a hydrophobic tail. Water is also modeled by the same size particle as adopted in the amphiphile model, corresponding to a group of several H2O molecules. In the DPD simulation, from both a randomly dispersed system and a bilayer structure of the amphiphile for the initial condition, a spontaneous vesicle formation is observed through the intermediate state of an oblate micelle or a bilayer membrane. The membrane fluctuates and encapsulates water particles and then closes to form a vesicle. During the process of vesicle formation, the hydrophobic interaction energy between the amphiphile and water is diminishing. It is also recognized that the aggregation process is faster in two-tailed amphiphiles than those in the case of single-tailed ones. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 3317-3324 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The recently developed simulation method, named as the particle simulation method (PSM), is extended to predict the viscosity of dilute suspensions of rodlike particles. In this method a rodlike particle is modeled by bonded spheres. Each bond has three types of springs for stretching, bending, and twisting deformation. The rod model can therefore deform by changing the bond distance, bond angle, and torsion angle between paired spheres. The rod model can represent a variety of rigidity by modifying the bond parameters related to Young's modulus and the shear modulus of the real particle. The time evolution of each constituent sphere of the rod model is followed by molecular-dynamics-type approach. The intrinsic viscosity of a suspension of rodlike particles is derived from calculating an increased energy dissipation for each sphere of the rod model in a viscous fluid. With and without deformation of the particle, the motion of the rodlike particle was numerically simulated in a three-dimensional simple shear flow at a low particle Reynolds number and without Brownian motion of particles. The intrinsic viscosity of the suspension of rodlike particles was investigated on orientation angle, rotation orbit, deformation, and aspect ratio of the particle. For the rigid rodlike particle, the simulated rotation orbit compared extremely well with theoretical one which was obtained for a rigid ellipsoidal particle by use of Jeffery's equation. The simulated dependence of the intrinsic viscosity on various factors was also identical with that of theories for suspensions of rigid rodlike particles. For the flexible rodlike particle, the rotation orbit could be obtained by the particle simulation method and it was also cleared that the intrinsic viscosity decreased as occurring of recoverable deformation of the rodlike particle induced by flow.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 3300-3308 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A numerical method for computing the dynamics of a platelike particle dispersed system is presented. The particle simulation method (PSM) for fiber suspensions is extended to handle a platelike particle, which is modeled with an array of spheres. Each pair of adjacent spheres is connected and deformed by three types of springs; stretch, bend, and twist. The motion of the platelike particles in flow is followed by solving the translational and rotational equations of motion for each constituent sphere. The mobility matrix for each particle is calculated to obtain the hydrodynamic force and torque exerted on each sphere. For the hydrodynamic interaction among particles, the near-field lubrication force is considered when the separation between spheres belonging to different particles is close, but the far-field part is neglected. The method was applied to the dilute and concentrated system. For the dilute system, the motion of isolated square and rectangular platelike particles was calculated in a simple shear flow. The computed rotation orbits of a rigid square platelike particle were in good agreement with those calculated by Jeffery's equation for an oblate spheroid (disk). The characteristic behavior, which is unknown from the classical theory, of the rigid rectangular particle and the soft square particle was revealed. For the concentrated system, transient behavior of the platelike particles in a simple shear flow was calculated by dispersing them into a unit cell with periodic boundaries. The planar orientation of particles was observed in the microstructure of the concentrated system, and furthermore the orientation of the major axis of particles in the shear direction appeared in the rectangular platelike particle dispersed system. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 644-650 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A method is proposed for simulating the dynamic behavior of rigid and flexible fibers in a flow field. The fiber is regarded as made up of spheres that are lined up and bonded to each neighbor. Each pair of bonded spheres can stretch, bend, and twist, by changing bond distance, bond angle, and torsion angle between spheres, respectively. The strength of bonding, or flexibility of the fiber model, is defined by three parameters of stretching, bending, and twisting constants. By altering these parameters, the property of the fiber model can be changed to be rigid to flexible. The motion of the fiber model in a flow field is determined by solving the translational and rotational equations for individual spheres under the hydrodynamic force and torque exerting on. This method was applied to simulate rotational motions with and without bending deformation of the fiber in a simple shear flow under the conditions of infinitely dilute system, no hydrodynamic interaction and low Reynolds number of a particle. For the rigid fiber, the computed period of rotation and the computed distribution of orientation angle agree with those calculated by Jeffery's equation with an equivalent ellipsoidal aspect ratio. For the flexible fiber, the period of rotation decreases rapidly with the growth of bending deformation of the fiber and rotation orbits deviate from a circular one of the rigid fiber. These tendencies are similar to experimental ones described by Forgacs and Mason. These results show that the proposed method using bonded spheres' model can reproduce the dynamic behavior of rigid and flexible fibers in a flow field successfully.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 2254-2260 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new method is presented to simulate the motion of concentrated fiber suspensions in shear flow at low Reynolds numbers without Brownian motion. The hydrodynamic interaction among fibers is considered in a particle simulation method (PSM), in which a fiber is modeled by arrays of spheres. The motion of each constituent sphere of a fiber, which are dispersed into a unit cell with periodic boundaries, is followed to predict the microstructure and the rheological properties. The hydrodynamic interaction is decomposed into two parts, intra- and interfiber ones. In the former, the many-body problem is solved by calculating the mobility matrix for each fiber to obtain the hydrodynamic force and torque exerted on each sphere. In the latter, only the near-field lubrication force is considered between spheres of one fiber and another. The validity of this approximate treatment was first examined for the sphere dispersed system. The simulated microstructure and the rheological properties were in very good agreement with results of both experiments and the Stokesian dynamics. The methodology was then applied to concentrated rigid and flexible fiber suspensions. The overshoot of suspension viscosity was observed at the early stage for rigid fiber suspensions, but not for flexible ones. This was because of the transient change of the microstructure from the flow-directional orientation to the planar orientation of rigid fibers. The normal stress was calculated for the flexible fiber suspension and clearly showed that the elasticity of fiber suspensions was due to the deformation of fibers. The proposed simulation method can predict the effect of such parameters as the aspect ratio, flexibility, and volume fraction of fibers on the microstructure and the rheological properties of fiber suspensions. © 1995 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 426-432 (Aug. 2003), p. 1939-1944 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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