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Nonlinear Geometric Effects in Mechanical Bistable Morphing Structures

Physical Review Letters 2012年第11期109卷 114302-114302页

作者： Zi Chen Qiaohang Guo Carmel Majidi Wenzhe Chen David J. Srolovitz Mikko P. Haataja Department of Mechanical and Aerospace Engineering Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials (PRISM) Princeton University Princeton New Jersey 08544 USA Department of Biomedical Engineering Washington University St. Louis Missouri 63130 USA College of Materials Science and Engineering Fuzhou University Fuzhou Fujian 350108 China Department of Mathematics and Physics Fujian University of Technology Fuzhou Fujian 350108 China Department of Mechanical Engineering Carnegie Mellon University Pittsburgh Pennsylvania 15213 USA Department of Materials Science and Engineering Fujian University of Technology Fuzhou Fujian 350108 China Institute for High Performance Computing 1 Fusionopolis Way Singapore 138632 Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA School of Mathematics Institute for Advanced Study Princeton New Jersey 08540 USA

Bistable structures associated with nonlinear deformation behavior, exemplified by the Venus flytrap and slap bracelet, can switch between different functional shapes upon actuation. Despite numerous efforts in modeling such large deformation behavior of shells, the roles of mechanical and nonlinear geometric effects on bistability remain elusive. We demonstrate, through both theoretical analysis and tabletop experiments, that two dimensionless parameters control bistability. Our work classifies the conditions for bistability, and extends the large deformation theory of plates and shells.

关键词： NONLINEAR theories DEFORMATIONS (Mechanics) PARAMETER estimation OPTICAL bistability STRUCTURAL shells PLATES (Engineering) CRYSTAL structure

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Microstructural degeneracy associated with a two-point correlation function and its information content

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Physical Review E 2012年第5期85卷 051140-051140页

作者： C. J. Gommes Y. Jiao S. Torquato Department of Chemical Engineering University of Liège Liège 4000 Belgium Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

A two-point correlation function provides a crucial yet an incomplete characterization of a microstructure because distinctly different microstructures may have the same correlation function. In an earlier Letter [Gommes, Jiao, and Torquato, Phys. Rev. Lett. 108, 080601 (2012)], we addressed the microstructural degeneracy question: What is the number of microstructures compatible with a specified correlation function? We computed this degeneracy, i.e., configurational entropy, in the framework of reconstruction methods, which enabled us to map the problem to the determination of ground-state degeneracies. Here, we provide a more comprehensive presentation of the methodology and analyses, as well as additional results. Since the configuration space of a reconstruction problem is a hypercube on which a Hamming distance is defined, we can calculate analytically the energy profile of any reconstruction problem, corresponding to the average energy of all microstructures at a given Hamming distance from a ground state. The steepness of the energy profile is a measure of the roughness of the energy landscape associated with the reconstruction problem, which can be used as a proxy for the ground-state degeneracy. The relationship between this roughness metric and the ground-state degeneracy is calibrated using a Monte Carlo algorithm for determining the ground-state degeneracy of a variety of microstructures, including realizations of hard disks and Poisson point processes at various densities as well as those with known degeneracies (e.g., single disks of various sizes and a particular crystalline microstructure). We show that our results can be expressed in terms of the information content of the two-point correlation functions. From this perspective, the a priori condition for a reconstruction to be accurate is that the information content, expressed in bits, should be comparable to the number of pixels in the unknown microstructure. We provide a formula to calculate the

关键词： MICROSTRUCTURE CORRELATION (Statistics) INFORMATION theory ENTROPY (Information theory) GROUND state (Quantum mechanics) MONTE Carlo method POISSON processes

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Numerical study on supersonic inlet buzz under various throttling conditions and fluid-structure interaction

Numerical study on supersonic inlet buzz under various throt...

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29th AIAA Applied Aerodynamics Conference 2011

作者： Hong, Wooram Kim, Chongam Interdisciplinary Program in Computational Science and Technology Seoul National University Seoul Korea Republic of Department of Aerospace Engineering Institute of Advanced Aerospace Technology Seoul National University Seoul Korea Republic of

ISBN: (纸本)9781624101458

This paper presents numerical investigations on the buzz characteristics of a supersonic inlet. By applying dynamic throttling conditions and using FSI (Fluid-Structure Interaction) technique, we were able to match operating conditions close to the real cases. In order to evaluate the effects of the dynamic throttling conditions and FSI, numerical simulations of a supersonic inlet configuration were performed sequentially for the following three stages. At first, the physical phenomena related to the inlet buzz such as shock-shock and shock-boundary interactions were studied under static throttling condition. In the second stage, the effect of the dynamic throttling ratio on the inlet buzz was examined. A dynamic throttling condition is assumed that the inlet is initially in high frequency buzz condition, from which throttling plug at the exit nozzle starts to move. Finally, the structural deformation effect was figured out using FSI for the same throttling conditions. The results of these studies reveal the detailed effects of the throttling ratio and the structural deformation on the buzz characteristics. © 2011 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

关键词： Fluid structure interaction

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Densest local sphere-packing diversity. II. Application to three dimensions

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Physical Review E 2011年第1期83卷 011304-011304页

作者： Adam B. Hopkins Frank H. Stillinger Salvatore Torquato Department of Chemistry and Department of Physics Princeton Center for Theoretical Science Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

The densest local packings of N three-dimensional identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained for selected values of N up to N=1054. In the predecessor to this paper [A. B. Hopkins, F. H. Stillinger, and S. Torquato, Phys. Rev. E 81, 041305 (2010)], we described our method for finding the putative densest packings of N spheres in d-dimensional Euclidean space Rd and presented those packings in R2 for values of N up to N=348. Here we analyze the properties and characteristics of the densest local packings in R3 and employ knowledge of the Rmin(N), using methods applicable in any d, to construct both a realizability condition for pair correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings. In R3, we find wide variability in the densest local packings, including a multitude of packing symmetries such as perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest local packings of N spheres near a central sphere to minimal-energy configurations of N+1 points interacting with short-range repulsive and long-range attractive pair potentials, e.g., 12–6 Lennard-Jones, and find that they are in general completely different, a result that has possible implications for nucleation theory. We also compare the densest local packings to finite subsets of stacking variants of the densest infinite packings in R3 (the Barlow packings) and find that the densest local packings are almost always most similar as measured by a similarity metric, to the subsets of Barlow packings with the smallest number of coordination shells measured about a single central sphere, e.g., a subset of the fcc Barlow packing. Additionally, we observe that the densest local packings are dominated by the dense arrangement of spheres with centers at distance Rmin(N). In particular, we find two “maracas” packings at N=77 and N=93, each consisting of a few unjammed sphere

关键词： DENSITY functionals SPHERES MATHEMATICAL models EUCLIDEAN metric CORRELATION (Statistics) SYMMETRY

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Higher-order schemes for the Laplace transformation method for parabolic problems

Higher-order schemes for the Laplace transformation method f...

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作者： Douglas, C. Kim, I. Lee, H. Sheen, D. School of Energy Resources Department of Mathematics University of Wyoming Laramie WY 82072-3036 United States Bell Labs Seoul Alcatel-Lucent 7fl DMC RandD Center Digital Media City E3-2 Sangam-Dong Mapo-Gu Seoul 120-270 Korea Republic of Department of Mathematics Interdisciplinary Program in Computational Science and Technology Seoul National University Seoul 151-747 Korea Republic of

In this paper we solve linear parabolic problems using the three stage noble algorithms. First, the time discretization is approximated using the Laplace transformation method, which is both parallel in time (and can be in space, too) and extremely high order convergent. Second, higher-order compact schemes of order four and six are used for the the spatial discretization. Finally, the discretized linear algebraic systems are solved using multigrid to show the actual convergence rate for numerical examples, which are compared to other numerical solution methods. © 2011 Springer-Verlag.

关键词： Laplace transforms

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Comprehensive analysis of compositional interface fluctuations in planar lipid bilayer membranes

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Physical Review E 2011年第5期84卷 051903-051903页

作者： Tao Han Mikko Haataja Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) and Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544 USA

In this paper we present a comprehensive analysis of line tension-driven compositional interface fluctuations in planar lipid bilayer membranes. Our starting point is the advective Cahn-Hilliard equation for the local lipid composition in symmetric membranes, which explicitly incorporates both advective and diffusive lipid transport processes, and which is coupled to the continuum hydrodynamic equations governing the flow behavior of the membrane and surrounding solvent with finite subphase thickness. In order to extract the interface dynamics from the continuum phase-field formalism, we first derive the appropriate sharp-interface limit equations. We then carry out a linear perturbation analysis for the relaxational dynamics of small-amplitude sinusoidal interface fluctuations to yield the general dispersion relation ωk as a function of perturbation wave number k. The resulting expression incorporates the effects of diffusive and advective lipid transport processes within the membrane, viscous or viscoelastic membrane properties, coupling between membrane and solvent, and inertial effects within the membrane and solvent. It is shown that previously considered scenarios naturally emerge as limiting cases of the general result. Furthermore, we discuss two additional scenarios amenable to analysis, one in which the inertia of the solvent is relevant, and another one in which the membrane displays significant viscoelastic properties. Finally, we numerically evaluate the general dispersion relation for three representative model membrane systems.

关键词： BILAYER lipid membranes FLUCTUATIONS (Physics) PERTURBATION (mathematics) VISCOELASTICITY HYDRODYNAMICS

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Continuum model of irradiation-induced spinodal decomposition in the presence of dislocations

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Physical Review B 2011年第17期83卷 174106-174106页

作者： J. J. Hoyt M. Haataja Department of Materials Science and Engineering McMaster University Hamilton Ontario Canada L8S4L7 Department of Mechanical and Aerospace Engineering Princeton Institute for the Science and Technology of Materials (PRISM) Program in Applied and Computational Mathematics (PACM) Princeton University Princeton New Jersey 08544

A model of phase-separation kinetics in systems exposed to energetic particle irradiation has been extended to include the effects of mobile dislocations. It is shown that when dislocations are allowed to participate in the decomposition reaction, phase separation can occur at temperatures above the coherent spinodal, which is in agreement with several experiments on irradiated alloys. A linear stability analysis of the governing kinetic equations is performed and three regimes of microstructural evolution are identified within the parameter space of damage cascade size vs incident flux: complete phase separation, solid-solution behavior, and compositional patterning. In addition, numerical simulations of the evolving dislocation density and composition fields are performed. The numerical results provide the amplitude and wavelength of the stable patterns that can form under irradiation and elucidate the role of misfit dislocations in reducing the coherency strain due to atomic size mismatch.

关键词： PHASE transformations (Physics) THERMODYNAMICS PARTICLES (Nuclear physics) ALLOYS IRRADIATION STRAINS & stresses (Mechanics)

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Phase Diagram and Structural Diversity of the Densest Binary Sphere Packings

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Physical Review Letters 2011年第12期107卷 125501-125501页

作者： Adam B. Hopkins Yang Jiao Frank H. Stillinger Salvatore Torquato Department of Chemistry Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

The densest binary sphere packings have historically been very difficult to determine. The only rigorously known packings in the α−x plane of sphere radius ratio α and relative concentration x are at the Kepler limit α=1, where packings are monodisperse. Utilizing an implementation of the Torquato-Jiao sphere-packing algorithm [S. Torquato and Y. Jiao, Phys. Rev. E 82, 061302 (2010)], we present the most comprehensive determination to date of the phase diagram in (α,x) for the densest binary sphere packings. Unexpectedly, we find many distinct new densest packings.

关键词： SPHERE packings PHASE diagrams SOLID geometry KEPLER'S laws CRYSTALLOGRAPHY CELLS

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Improved reconstructions of random media using dilation and erosion processes

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Physical Review E 2011年第5期84卷 056102-056102页

作者： Chase E. Zachary Salvatore Torquato Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

By using the most sensitive two-point correlation functions introduced to date, we reconstruct the microstructures of two-phase random media with heretofore unattained accuracy. Such media arise in a host of contexts, including porous and composite media, ecological structures, biological media, and astrophysical structures. The aforementioned correlation functions are special cases of the so-called canonical n-point correlation function Hn and generalize the ones that have been recently employed to advance our ability to reconstruct complex microstructures [Y. Jiao, F. H. Stillinger, and S. Torquato, Proc. Natl. Acad. Sci. 106, 17634 (2009)]. The use of these generalized correlation functions is tantamount to dilating or eroding a reference phase of the target medium and incorporating the additional topological information of the modified media, thereby providing more accurate reconstructions of percolating, filamentary, and other topologically complex microstructures. We apply our methods to a multiply connected “donut” medium and a dilute distribution of “cracks” (a set of essentially zero measure), demonstrating improved accuracy in both cases with implications for higher-dimensional and biconnected two-phase systems. The high information content of the generalized two-point correlation functions suggests that it would be profitable to explore their use to characterize the structural and physical properties of not only random media, but also molecular systems, including structural glasses.

关键词： FUNCTIONS (mathematics) MICROSTRUCTURE TOPOLOGY COMPOSITE materials PROBABILITY theory STATISTICS

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Phylogenetic footprinting and consistent sets of local aligments

Phylogenetic footprinting and consistent sets of local aligm...

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Lecture Notes in Computer science

作者： Otto, Wolfgang Stadler, Peter F. Prohaska, Sonja J. Max Planck Institute for Mathematics in the Sciences Inselstraße 22 D-04103 Leipzig Germany Interdisciplinary Center for Bioinformatics University of Leipzig Härtelstraße 16-18 D-04107 Leipzig Germany Computational EvoDevo Group Department of Computer Science University of Leipzig Härtelstraße 16-18 D-04107 Leipzig Germany Bioinformatics Group Department of Computer Science University of Leipzig Härtelstraße 16-18 D-04107 Leipzig Germany Fraunhofer Institut für Zelltherapie und Immunologie Perlickstraße 1 D-04103 Leipzig Germany Center for Noncoding RNA in Technology and Health University of Copenhagen Grønnegårdsvej 3 DK-1870 Frederiksberg C Denmark Department of Theoretical Chemistry University of Vienna Währingerstraße 17 A-1090 Wien Austria Santa Fe Institute 1399 Hyde Park Rd. Santa Fe NM 87501 United States

ISBN: (纸本)9783642214578

The problem of constructing alternative local multiple sequence alignments from a collection of local pairwise alignments arises naturally in phylogenetic footprinting, a technique used to identify regulatory elements by comparative sequence analysis. Based on a theoretical discussion of the problem we devise an efficient heuristic and introduce the software tool tracker2 for this task. Tests on both biological and random data demonstrated the heuristic yields excellent results at very short runtimes. © 2011 Springer-Verlag.

关键词： Combinatorial optimization

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