The effect of nanoparticle shape on polymer‐nanocomposite rheology and tensile strength

Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear viscosity η and the tensile strength τ, which we determine via molecular dynamics simulations. Our simulations of compact (icosahedral), tube or rod‐like, and sheet‐like model nanoparticles, all at a volume fraction ? ≈ 0.05, indicate an order of magnitude increase in the viscosity η relative to the pure melt. This finding evidently can not be explained by continuum hydrodynamics and we provide evidence that the η increase in our model nanocomposites has its origin in chain bridging between the nanoparticles. We find that this increase is the largest for the rod‐like nanoparticles and least for the sheet‐like nanoparticles. Curiously, the enhancements of η and τ exhibit opposite trends with increasing chain length N and with particle shape anisotropy. Evidently, the concept of bridging chains alone cannot account for the increase in τ and we suggest that the deformability or flexibility of the sheet nanoparticles contributes to nanocomposite strength and toughness by reducing the relative value of the Poisson ratio of the composite. The molecular dynamics simulations in the present work focus on the reference case where the modification of the melt structure associated with glass‐formation and entanglement interactions should not be an issue. Since many applications require good particle dispersion, we also focus on the case where the polymer‐particle interactions favor nanoparticle dispersion. Our simulations point to a substantial contribution of nanoparticle shape to both mechanical and processing properties of polymer nanocomposites. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1882–1897, 2007     

Spectroscopic imaging display and analysis.

A system for display of magnetic resonance (MR) spectroscopic imaging (SI) data is described which provides for efficient review and analysis of the multidimensional spectroscopic and spatial data format of this technique. Features include the rapid display of spectra from selected image voxels, formation of spectroscopic images, spectral and image data processing operations, methods for correlating spectroscopic image data with high resolution 1H MR images, and hardcopy facilities. Examples are shown for 31P and 1H spectroscopic imaging studies obtained in human and rat brain.     

Inertia-preserving secant updates

Corrections to the last two equations of Ref. 1 are given.     

Short-range order in miscible polymer blends: A monte carlo study

Local ordering in miscible binary polymer blends with strong attractive interactions between the two types of chains was investigated by computer simulation of allowable conformations on an incompressible cubic lattice. A tendency toward maximum ordering (in which chains pack in alternate parallel rows) is shown by the calculation of pair correlations and in “snapshots” of the mixtures. A specific directional interaction is not necessarily required for ordering. A comparison of these results with those recently obtained using mean-field theory is presented. The heat capacity of mixing was also calculated and found to be positive, with a value close to that reported experimentally.     

Models of linear logic

We engage a study of nonmodal linear logic which takes times ⊗ and the linear conditional ⊸ to be the basic connectives instead of times and linear negation ()^⊥ as in Girard's approach. This difference enables us to obtain a very large subsystem of linear logic (called positive linear logic) without an involutionary negation (if the law of double negation is removed from linear logic in Girard's formulation, the resulting subsystem is extremely limited). Our approach enables us to obtain several natural models for various subsystems of linear logic, including a generic model for the so-called minimal linear logic. In particular, it is seen that these models arise spontaneously in the transition from set theory to multiset theory. We also construct a model of full (nonmodal) linear logic that is generic relative to any model of positive linear logic. However, the problem of constructing a generic model for positive linear logic remains open. Bibliography: 2 titles. Published inZapiski Nauchnykh Seminarov POMI, Vol. 220, 1995, pp. 23–35. Original     

A projective criterion to the coordinate partitioning method for multibody dynamics

Summary The paper discusses some developments in the coordinate partitioning method for the dynamic analysis of constrained/closed-loop multibody systems. First, the method is reformulated to a more compact form. Then, a simple and reliable projective criterion for choosing the best coordinates from the redundant ones is proposed, and some advantages are pointed out that may arise in the method by applying inverse kinematics algorithms. Finally, the problem of determination ofphysical reactions of constraints and closing conditions is discussed. A four-bar linkage mechanism serves for an illustration of some aspects of the paper.

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Ein Projektionskriterium zur Koordinatenwahl bei Mehrkörpersystemen mit kinematischen Schleifen

Übersicht Bei der Simulation der Bewegunsgleichungen von Mehrkörpersystemen mit kinematischen Schleifen in Minimalform stellt sich die Frage nach der Wahl günstiger verallgemeinerter Koordinaten. Hierfür wird ein Projektionskriterium vorgeschlagen, welches die Trennung der systembeschreibenden redundanten Koordinaten in die verallgemeinerten und davon abhängige Koordinaten gestattet. Durch Anwendung eines Verfahrens zur Rückwärtstransformation der kinematischen Beschreibung lassen sich in diesen explizite Schließbedingungen formulieren, was sich bei der Simulation vorteilhaft auswirkt; diese kann ohne Verletzung der Schließbedingungen erfolgen. Es wird auch gezeigt, wie auch bei Verwendung verallgemeinerter Koordinatenphysikalisch interpretierbare Reaktionen ermittelt werden können. Als Anwendungsbeispiel dient ein ebenes Viergelenk.

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On leave from the Department of Mechanics, Technical University of Radom, ul. Malczewskiego 29, 26-600 Radom, Poland