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Convergence analysis of the adaptive finite element method with the red-green refinement

science China mathematics 2010年第2期53卷 499-512页

作者： ZHAO XuYing 1, 3 , HU Jun 2,? & SHI ZhongCi 1 1 State Key Laboratory of Scientific and Engineering Computing, Institute of computational mathematics and Scientific/Engineering Computing, Academy of mathematics and Systems science, Chinese Academy of sciences, Beijing 100190, China 2 Key Laboratory of mathematics and applied mathematics (Peking University), Ministry of Education and School of Mathematical sciences, Peking University, Beijing 100871, China 3 graduate University of Chinese Academy of sciences, Beijing 100190, China 1. State Key Laboratory of Scientific and Engineering Computing Institute of Computational Mathematics and Scientific/Engineering Computing Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China3. Graduate University of Chinese Academy of Sciences Beijing 100190 China2. Key Laboratory of Mathematics and Applied Mathematics (Peking University) Ministry of Education and School of Mathematical Sciences Peking University Beijing 100871 China

In this paper, we analyze the convergence of the adaptive conforming P 1 element method with the red-green refinement. Since the mesh after refining is not nested into the one before, the Galerkin-orthogonality does not hold for this case. To overcome such a difficulty, we prove some quasi-orthogonality instead under some mild condition on the initial mesh (Condition A). Consequently, we show convergence of the adaptive method by establishing the reduction of some total error. To weaken the condition on the initial mesh, we propose a modified red-green refinement and prove the convergence of the associated adaptive method under a much weaker condition on the initial mesh (Condition B).

关键词： red-green refinement adaptive finite element method convergence non-nested local refinement

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Positron-Impact Excitation of Hydrogen Atoms in Debye Plasmas

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Chinese Physics Letters 2010年第1期27卷 111-114页

作者：张松斌祁月盈屈一至陈向军王建国 Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics University of Science and Technology of China Hefei 230026 Key Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics PO Box 8009 Beijing 100088 School of Electrical Engineering Jiaxing University Jiaxing 314001 College of Material Sciences and Optoelectronic Technology Graduate School of the Chinese Academy of Sciences PO Box 4588 Beijing 100049

The positron-impact excitation of hydrogen atoms embedded in plasma environments is investigated using the close-coupling approximation from the low to intermediate energy region without including any positronium formation channel, and the excitation cross sections for 1s→2s, 1s→2p and 2s→2p processes are calculated in a wide Debye parameter range. The screening interactions, described by the Debye-Hückel model, decrease the coupling matrix elements, resulting in the reduction of the excitation cross sections from a few percent to one magnitude of ten. This will alter remarkably the spectroscopy of hydrogen in intensity and position, which should be considered in the simulation and diagnostics under some specific plasma conditions.

关键词： Chinese climate network complex systems small world community

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Geometrical ambiguity of pair statistics. II. Heterogeneous media

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Physical Review E 2010年第1期82卷 011106-011106页

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

In the first part of this series of two papers [Y. Jiao, F. H. Stillinger, and S. Torquato, Phys. Rev. E 81, 011105 (2010)], we considered the geometrical ambiguity of pair statistics associated with point configurations. Here we focus on the analogous problem for heterogeneous media (materials). Heterogeneous media are ubiquitous in a host of contexts, including composites and granular media, biological tissues, ecological patterns, and astrophysical structures. The complex structures of heterogeneous media are usually characterized via statistical descriptors, such as the n-point correlation function Sn. An intricate inverse problem of practical importance is to what extent a medium can be reconstructed from the two-point correlation function S2 of a target medium. Recently, general claims of the uniqueness of reconstructions using S2 have been made based on numerical studies, which implies that S2 suffices to uniquely determine the structure of a medium within certain numerical accuracy. In this paper, we provide a systematic approach to characterize the geometrical ambiguity of S2 for both continuous two-phase heterogeneous media and their digitized representations in a mathematically precise way. In particular, we derive the exact conditions for the case where two distinct media possess identical S2, i.e., they form a degenerate pair. The degeneracy conditions are given in terms of integral and algebraic equations for continuous media and their digitized representations, respectively. By examining these equations and constructing their rigorous solutions for specific examples, we conclusively show that in general S2 is indeed not sufficient information to uniquely determine the structure of the medium, which is consistent with the results of our recent study on heterogeneous-media reconstruction [Y. Jiao, F. H. Stillinger, and S. Torquato, Proc. Natl. Acad. Sci. U.S.A. 106, 17634 (2009)]. The analytical examples include complex patterns composed of building blo

关键词： Inverse problems

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Influence of nonequilibrium lipid transport, membrane compartmentalization, and membrane proteins on the lateral organization of the plasma membrane

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Physical Review E 2010年第1期81卷 011908-011908页

作者： Jun Fan Maria Sammalkorpi 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

Compositional lipid domains (lipid rafts) in plasma membranes are believed to be important components of many cellular processes. The mechanisms by which cells regulate the sizes, lifetimes, and spatial localization of these domains are rather poorly understood at the moment. We propose a robust mechanism for the formation of finite-sized lipid raft domains in plasma membranes, the competition between phase separation in an immiscible lipid system and active cellular lipid transport processes naturally leads to the formation of such domains. Simulations of a continuum model reveal that the raft size distribution is broad and the average raft size is strongly dependent on the rates of cellular and interlayer lipid transport processes. We demonstrate that spatiotemporal variations in the recycling may enable the cell to localize larger raft aggregates at specific parts along the membrane. Moreover, we show that membrane compartmentalization may further facilitate spatial localization of the raft domains. Finally, we demonstrate that local interactions with immobile membrane proteins can spatially localize the rafts and lead to further clustering.

关键词： Cell membranes

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Lipid Microdomains: Structural Correlations, Fluctuations, and Formation Mechanisms

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Physical Review Letters 2010年第11期104卷 118101-118101页

作者： Jun Fan Maria Sammalkorpi Mikko Haataja 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 USA

Compositional lipid microdomains (“lipid rafts”) in mammalian plasma membranes are believed to facilitate many important cellular processes. While several physically distinct scenarios predicting the presence of finite-sized microdomains in vivo have been proposed in the past, direct experimental verification or falsification of model predictions has remained elusive. Herein, we demonstrate that the combination of the spatial correlation and temporal fluctuation spectra of the lipid domains can be employed to unambiguously differentiate between the existing theoretical scenarios. Furthermore, the differentiation of the raft formation mechanisms using this methodology can be achieved by collecting data at physiologically relevant conditions without the need to tune control parameters.

关键词： Cell membranes

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Quantifying behavioral data sets of criminal activity

Quantifying behavioral data sets of criminal activity

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2010 AAAI Spring Symposium

作者： Toole, Jameson Eagle, Nathan Plotkin, Joshua Department of Physics University of Michigan Ann Arbor MI 48109 United States Santa Fe Institute 1399 Hyde Park Rd Santa Fe NM 87501 United States Department of Biology and Program in Applied Mathematics and Computational Science University of Pennsylvania Philadelphia PA 19104 United States

ISBN: (纸本)9781577354550

With the increased availability of rich behavioral data sets, we present a novel combination of tools to analyze to analyze this information. Using criminal offense records as an example, we employ cross-correlation measures, eigenvalue spectrum analysis, and results from random matrix theory to identify spatiotemporal patterns. Finally, with multivariate autoregressive models, we demonstrate a possible source of structure within the data. instructions. © 2010, Association for the Advancement of Artificial Intelligence.

关键词： Spectrum analysis

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Robust algorithm to generate a diverse class of dense disordered and ordered sphere packings via linear programming

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Physical Review E 2010年第6期82卷 061302-061302页

作者： S. Torquato Y. Jiao Department of Chemistry 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 Department of Mechanical and Aerospace Engineering Princeton University Princeton New Jersey 08544 USA

We have formulated the problem of generating dense packings of nonoverlapping, nontiling nonspherical particles within an adaptive fundamental cell subject to periodic boundary conditions as an optimization problem called the adaptive-shrinking cell (ASC) formulation [S. Torquato and Y. Jiao, Phys. Rev. E 80, 041104 (2009)]. Because the objective function and impenetrability constraints can be exactly linearized for sphere packings with a size distribution in d-dimensional Euclidean space Rd, it is most suitable and natural to solve the corresponding ASC optimization problem using sequential-linear-programming (SLP) techniques. We implement an SLP solution to produce robustly a wide spectrum of jammed sphere packings in Rd for d=2, 3, 4, 5, and 6 with a diversity of disorder and densities up to the respective maximal densities. A novel feature of this deterministic algorithm is that it can produce a broad range of inherent structures (locally maximally dense and mechanically stable packings), besides the usual disordered ones (such as the maximally random jammed state), with very small computational cost compared to that of the best known packing algorithms by tuning the radius of the influence sphere. For example, in three dimensions, we show that it can produce with high probability a variety of strictly jammed packings with a packing density anywhere in the wide range [0.6, 0.7408…], where π/18=0.7408… corresponds to the density of the densest packing. We also apply the algorithm to generate various disordered packings as well as the maximally dense packings for d=2, 4, 5, and 6. Our jammed sphere packings are characterized and compared to the corresponding packings generated by the well-known Lubachevsky-Stillinger (LS) molecular-dynamics packing algorithm. Compared to the LS procedure, our SLP protocol is able to ensure that the final packings are truly jammed, produces disordered jammed packings with anomalously low densities, and is appreciably more robust an

关键词： Packing

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Jammed hard-particle packings: From Kepler to Bernal and beyond

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Reviews of Modern Physics 2010年第3期82卷 2633-2633页

作者： S. Torquato F. H. Stillinger []Department of Chemistry Department of Physics Princeton Center for Theoretical Science Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA and School of Natural Sciences Institute of Advanced Study Princeton New Jersey 08540 USA

Understanding the characteristics of jammed particle packings provides basic insights into the structure and bulk properties of crystals, glasses, and granular media and into selected aspects of biological systems. This review describes the diversity of jammed configurations attainable by frictionless convex nonoverlapping (hard) particles in Euclidean spaces and for that purpose it stresses individual-packing geometric analysis. A fundamental feature of that diversity is the necessity to classify individual jammed configurations according to whether they are locally, collectively, or strictly jammed. Each of these categories contains a multitude of jammed configurations spanning a wide and (in the large system limit) continuous range of intensive properties, including packing fraction ϕ, mean contact number Z, and several scalar order metrics. Application of these analytical tools to spheres in three dimensions (an analog to the venerable Ising model) covers a myriad of jammed states, including maximally dense packings (as Kepler conjectured), low-density strictly jammed tunneled crystals, and a substantial family of amorphous packings. With respect to the last of these, the current approach displaces the historically prominent but ambiguous idea of “random close packing” with the precise concept of “maximally random jamming.” Both laboratory procedures and numerical simulation protocols can and, frequently, have been used for creation of ensembles of jammed states. But while the resulting distributions of intensive properties may individually approach narrow distributions in the large system limit, the distinguishing varieties of possible operational details in these procedures and protocols lead to substantial variability among the resulting distributions, some examples of which are presented here. This review also covers recent advances in understanding jammed packings of polydisperse sphere mixtures, as well as convex nonspherical particles, e.g., ellipsoids, “

关键词： Spheres Euclidean space laboratory procedure jammed state Kepler

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Densest local sphere-packing diversity: General concepts and application to two dimensions

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Physical Review E 2010年第4期81卷 041305-041305页

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

The densest local packings of N identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained using a nonlinear programming method operating in conjunction with a stochastic search of configuration space. The knowledge of Rmin(N) in d-dimensional Euclidean space Rd allows for the construction both of a realizability condition for pair-correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings in Rd. In this paper, we focus on the two-dimensional circular disk problem. We find and present the putative densest packings and corresponding Rmin(N) for selected values of N up to N=348 and use this knowledge to construct such a realizability condition and an upper bound. We additionally analyze the properties and characteristics of the maximally dense packings, finding significant variability in their symmetries and contact networks, and that the vast majority differ substantially from the triangular lattice even for large N. Our work has implications for packaging problems, nucleation theory, and surface physics.

关键词： Spheres

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Displaced Path Integral Formulation for the Momentum Distribution of Quantum Particles

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Physical Review Letters 2010年第11期105卷 110602-110602页

作者： Lin Lin Joseph A. Morrone Roberto Car Michele Parrinello Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Computational Science Department of Chemistry and Applied Biosciences ETH Zurich USI Campus Via Giuseppe Buffi 12 CH-6900 Lugano Switzerland

The proton momentum distribution, accessible by deep inelastic neutron scattering, is a very sensitive probe of the potential of mean force experienced by the protons in hydrogen-bonded systems. In this work we introduce a novel estimator for the end-to-end distribution of the Feynman paths, i.e., the Fourier transform of the momentum distribution. In this formulation, free particle and environmental contributions factorize. Moreover, the environmental contribution has a natural analogy to a free energy surface in statistical mechanics, facilitating the interpretation of experiments. The new formulation is not only conceptually but also computationally advantageous. We illustrate the method with applications to an empirical water model, ab initio ice, and one dimensional model systems.

关键词： Statistical mechanics

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