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Hyperuniformity and anti-hyperuniformity in one-dimensional substitution tilings

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arXiv 2018年

作者： Oguz, Erdal C. Socolar, Joshua E.S. Steinhardt, Paul J. Torquato, Salvatore School of Mechanical Engineering Sackler Center for Computational Molecular and Materials Science Tel Aviv University Tel Aviv Israel Physics Department Duke University DurhamNC27708 United States Department of Physics Princeton Center for Theoretical Science Princeton University PrincetonNJ08544 United States Center for Cosmology and Particle Physics Department of Physics New York University New YorkNY10003 United States Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States

We consider the scaling properties characterizing the hyperuniformity (or anti-hyperuniformity) of long wavelength fluctuations in a broad class of one-dimensional substitution tilings. We present a simple argument that predicts the exponent α governing the scaling of Fourier intensities at small wavenumbers, tilings with α > 0 being hyperuniform, and confirm with numerical computations that the predictions are accurate for quasiperiodic tilings, tilings with singular continuous spectra, and limit-periodic tilings. Tilings with quasiperiodic or singular continuous spectra can be constructed with α arbitrarily close to any given value between −1 and 3. Limit-periodic tilings can be constructed with α between −1 and 1 or with Fourier intensities that approach zero faster than any power law. Copyright © 2018, The Authors. All rights reserved.

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Critical pore radius and transport properties of disordered hard- and overlapping-sphere models

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Physical Review E 2021年第1期104卷 014127-014127页

作者： Michael A. Klatt Robert M. Ziff Salvatore Torquato Department of Physics Princeton University Princeton New Jersey 08544 USA Institut für Theoretische Physik FAU Erlangen-Nürnberg Staudtstr. 7 91058 Erlangen Germany Center for the Study of Complex Systems and Department of Chemical Engineering University of Michigan Ann Arbor Michigan 48109 USA Department of Chemistry Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Transport properties of porous media are intimately linked to their pore-space microstructures. We quantify geometrical and topological descriptors of the pore space of certain disordered and ordered distributions of spheres, including pore-size functions and the critical pore radius δc. We focus on models of porous media derived from maximally random jammed sphere packings, overlapping spheres, equilibrium hard spheres, quantizer sphere packings, and crystalline sphere packings. For precise estimates of the percolation thresholds, we use a strict relation of the void percolation around sphere configurations to weighted bond percolation on the corresponding Voronoi networks. We use the Newman-Ziff algorithm to determine the percolation threshold using universal properties of the cluster size distribution. The critical pore radius δc is often used as the key characteristic length scale that determines the fluid permeability k. A recent study [Torquato, Adv. Wat. Resour. 140, 103565 (2020)] suggested for porous media with a well-connected pore space an alternative estimate of k based on the second moment of the pore size 〈δ2〉, which is easier to determine than δc. Here, we compare δc to the second moment of the pore size 〈δ2〉, and indeed confirm that, for all porosities and all models considered, δc2 is to a good approximation proportional to 〈δ2〉. However, unlike 〈δ2〉, the permeability estimate based on δc2 does not predict the correct ranking of k for our models. Thus, we confirm 〈δ2〉 to be a promising candidate for convenient and reliable estimates of the fluid permeability for porous media with a well-connected pore space. Moreover, we compare the fluid permeability of our models with varying degrees of order, as measured by the τ order metric. We find that (effectively) hyperuniform models tend to have lower values of k than their nonhyperuniform counterparts. Our findings could facilitate the design of porous media with desirable transport properties via targete

关键词： Geophysical networks Materials Patterns in complex systems

Manifold learning for organizing unstructured sets of process observations

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arXiv 2018年

作者： Dietrich, Felix Kooshkbaghi, Mahdi Bollt, Erik M. Kevrekidis, Ioannis G. Department of Chemical and Biomolecular Engineering Department of Applied Mathematics and Statistics Johns Hopkins University BaltimoreMD21218 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Mathematics Department of Electrical and Computer Engineering Clarkson Center for Complex Systems Science Clarkson University PotsdamNY13699-5815 United States

Data mining is routinely used to organize ensembles of short temporal observations so as to reconstruct useful, low-dimensional realizations of an underlying dynamical system. In this paper, we use manifold learning to organize unstructured ensembles of observations ("trials") of a system's response surface. We have no control over where every trial starts;and during each trial operating conditions are varied by turning "agnostic" knobs, which change system parameters in a systematic but unknown way. As one (or more) knobs "turn" we record (possibly partial) observations of the system response. We demonstrate how such partial and disorganized observation ensembles can be integrated into coherent response surfaces whose dimension and parametrization can be systematically recovered in a data-driven fashion. The approach can be justified through the Whitney and Takens embedding theorems, allowing reconstruction of manifolds/attractors through different types of observations. We demonstrate our approach by organizing unstructured observations of response surfaces, including the reconstruction of a cusp bifurcation surface for Hydrogen combustion in a Continuous Stirred Tank Reactor. Finally, we demonstrate how this observation-based reconstruction naturally leads to informative transport maps between input parameter space and output/state variable *** codes 37M20 Copyright © 2018, The Authors. All rights reserved.

关键词： Dynamical systems

Tilings of space and superhomogeneous point processes

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Physical Review E 2008年第3期77卷 031125-031125页

作者： A. Gabrielli M. Joyce S. Torquato SMC-INFM Dipartimento di Fisica Università La Sapienza P.le A. Moro 2 I-00185 Rome Italy ISC-CNR Via dei Taurini 19 I-00185 Rome Italy Laboratoire de Physique Nucléaire et de Hautes Energies UMR-7585 Université Pierre et Marie Curie Paris 6 75252 Paris Cedex 05 France Department of Chemistry Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Physics Princeton University Princeton New Jersey 08544 USA

We consider the construction of point processes from tilings, with equal-volume tiles, of d-dimensional Euclidean space Rd. We show that one can generate, with simple algorithms ascribing one or more points to each tile, point processes which are “superhomogeneous” (or “hyperuniform”)—i.e., for which the structure factor S(k) vanishes when the wave vector k tends to zero. The exponent γ characterizing the leading small-k behavior, S(k→0)∝kγ, depends in a simple manner on the nature of the correlation properties of the specific tiling and on the conservation of the mass moments of the tiles. Assigning one point to the center of mass of each tile gives the exponent γ=4 for any tiling in which the shapes and orientations of the tiles are short-range correlated. Smaller exponents in the range 4−d<γ<4 (and thus always superhomogeneous for d≤4) may be obtained in the case that the latter quantities have long-range correlations. Assigning more than one point to each tile in an appropriate way, we show that one can obtain arbitrarily higher exponents in both cases. We illustrate our results with explicit constructions using known deterministic tilings, as well as some simple stochastic tilings for which we can calculate S(k) exactly. Our results provide an explicit analytical construction of point processes with γ>4. Applications to condensed matter physics, and also to cosmology, are briefly discussed.

关键词： SIMULATIONS CAUSALITY SPECTRUM

Avian photoreceptor patterns represent a disordered hyperuniform solution to a multiscale packing problem

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Physical Review E 2014年第2期89卷 022721-022721页

作者： Yang Jiao Timothy Lau Haralampos Hatzikirou Michael Meyer-Hermann Joseph C. Corbo Salvatore Torquato Princeton Institute of the Science and Technology of Materials Princeton University Princeton New Jersey 08540 USA Materials Science and Engineering Arizona State University Tempe Arizona 85287 USA Department of Pathology and Immunology Washington University School of Medicine St. Louis Missouri 63110 USA Department of Systems Immunology Helmholtz Centre for Infection Research Braunschweig Germany Center for Advancing Electronics Dresden TU Dresden 01062 Dresden Germany Department of Chemistry Department of Physics Program in Computational and Applied Mathematics Princeton University Princeton New Jersey 08544 USA

Optimal spatial sampling of light rigorously requires that identical photoreceptors be arranged in perfectly regular arrays in two dimensions. Examples of such perfect arrays in nature include the compound eyes of insects and the nearly crystalline photoreceptor patterns of some fish and reptiles. Birds are highly visual animals with five different cone photoreceptor subtypes, yet their photoreceptor patterns are not perfectly regular. By analyzing the chicken cone photoreceptor system consisting of five different cell types using a variety of sensitive microstructural descriptors, we find that the disordered photoreceptor patterns are “hyperuniform” (exhibiting vanishing infinite-wavelength density fluctuations), a property that had heretofore been identified in a unique subset of physical systems, but had never been observed in any living organism. Remarkably, the patterns of both the total population and the individual cell types are simultaneously hyperuniform. We term such patterns “multihyperuniform” because multiple distinct subsets of the overall point pattern are themselves hyperuniform. We have devised a unique multiscale cell packing model in two dimensions that suggests that photoreceptor types interact with both short- and long-ranged repulsive forces and that the resultant competition between the types gives rise to the aforementioned singular spatial features characterizing the system, including multihyperuniformity. These findings suggest that a disordered hyperuniform pattern may represent the most uniform sampling arrangement attainable in the avian system, given intrinsic packing constraints within the photoreceptor epithelium. In addition, they show how fundamental physical constraints can change the course of a biological optimization process. Our results suggest that multihyperuniform disordered structures have implications for the design of materials with novel physical properties and therefore may represent a fruitful area for future research

关键词： PHOTORECEPTORS ARRAY processing BIRDS MULTISCALE modeling SAMPLING (Signal processing) EPITHELIUM

Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems

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arXiv 2022年

作者： Chen, Yixiao Zhang, Linfeng Weinan, E. Car, Roberto Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Center for Machine Learning Research School of Mathematical Sciences Peking University Beijing100084 China Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ08544 United States

We propose a quantum Monte Carlo approach to solve the many-body Schrödinger equation for the electronic ground state. The method combines optimization from variational Monte Carlo and propagation from auxiliary field quantum Monte Carlo, in a way that significantly alleviates the sign problem. In application to molecular systems, we obtain highly accurate results for configurations dominated by either dynamic or static electronic correlation. Copyright © 2022, The Authors. All rights reserved.

关键词： Monte Carlo methods

Subdiffusive wave transport and weak localization transition in three-dimensional stealthy hyperuniform disordered systems

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Physical Review B 2022年第6期105卷 064204-064204页

作者： F. Sgrignuoli S. Torquato L. Dal Negro Department of Electrical and Computer Engineering & Photonics Center Boston University 8 Saint Mary's Street Boston Massachusetts 02215 USA Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08540 USA Division of Material Science and Engineering Boston University 15 Saint Mary's Street Brookline Massachusetts 02446 USA Department of Physics Boston University 590 Commonwealth Avenue Boston Massachusetts 02215 USA

The purpose of this work is to understand the fundamental connection between structural correlations and light localization in three-dimensional (3D) open scattering systems of finite size. We numerically investigate the transport of vector electromagnetic waves scattered by resonant electric dipoles spatially arranged in 3D space by stealthy hyperuniform disordered point patterns. Three-dimensional stealthy hyperuniform disordered systems are engineered with different structural correlation properties determined by their degree of stealthiness χ. Such fine control of exotic states of amorphous matter enables the systematic design of optical media that interpolate in a tunable fashion between uncorrelated random structures and crystalline materials. By solving the electromagnetic multiple scattering problem using Green's matrix spectral method, we establish a transport phase diagram that demonstrates a distinctive transition from a diffusive to a weak localization regime beyond a critical scattering density that depends on χ. The transition is characterized by studying the Thouless number and the spectral statistics of the scattering resonances. In particular, by tuning the χ parameter, we demonstrate large spectral gaps and suppressed subradiant proximity resonances, facilitating light localization. Moreover, consistently with previous studies, our results show a region of the transport phase diagram where the investigated scattering systems become transparent. Our work provides a systematic description of the transport and weak localization properties of light in stealthy hyperuniform structures and motivates the engineering of photonic systems with enhanced light-matter interactions for applications to both classical and quantum devices.

关键词： Anderson localization Light-matter interaction Mesoscopics Photonics Scattering theory Weak localization Metamaterials

Coarse-graining conformational dynamics with multi-dimensional generalized Langevin equation: how, when, and why

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arXiv 2024年

作者： Xie, Pinchen Qiu, Yunrui Weinan, E. Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Chemistry University of Wisconsin-Madison MadisonWI53706 United States AI for Science Institute Beijing100080 China Center for Machine Learning Research School of Mathematical Sciences Peking University Beijing100084 China

A data-driven ab initio generalized Langevin equation (AIGLE) approach is developed to learn and simulate high-dimensional, heterogeneous, coarse-grained conformational dynamics. Constrained by the fluctuation-dissipation theorem, the approach can build coarse-grained models in dynamical consistency with all-atom molecular dynamics. We also propose practical criteria for AIGLE to enforce long-term dynamical consistency. Case studies of a toy polymer, with 20 coarse-grained sites, and the alanine dipeptide, with two dihedral angles, elucidate why one should adopt AIGLE or its Markovian limit for modeling coarse-grained conformational dynamics in practice. © 2024, CC BY.

关键词： Coarse-grained modeling

The Disordered Heterogeneous Universe: Galaxy Distribution and Clustering Across Length Scales

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arXiv 2022年

作者： Philcox, Oliver H.E. Torquato, Salvatore Department of Astrophysical Sciences Princeton University PrincetonNJ08540 United States School of Natural Sciences Institute for Advanced Study 1 Einstein Drive PrincetonNJ08540 United States Center for Theoretical Physics Department of Physics Columbia University New YorkNY10027 United States Simons Foundation New YorkNY10010 United States Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States

The studies of disordered heterogeneous media and galaxy cosmology share a common goal: analyzing the disordered distribution of particles and/or building blocks at ‘microscales’ to predict physical properties of the medium at ‘macroscales’, whether it be a liquid, colloidal suspension, composite material, galaxy cluster, or entire Universe. The theory of disordered heterogeneous media provides an array of theoretical and computational techniques to characterize a wide class of complex material microstructures. In this work, we apply them to describe the disordered distributions of galaxies obtained from recent suites of dark matter simulations. We focus on the determination of lower-order correlation functions, ‘void’ and ‘particle’ nearest-neighbor functions, certain cluster statistics, pair-connectedness functions, percolation properties, and a scalar order metric to quantify the degree of order. Compared to analogous homogeneous Poisson and typical disordered systems, the cosmological simulations exhibit enhanced large-scale clustering and longer tails in the void and particle nearest-neighbor functions, due to the presence of quasi-long-range correlations imprinted by early Universe physics, with a minimum particle separation far below the mean nearest-neighbor distance. On large scales, the system appears ‘hyperuniform’, as a result of primordial density fluctuations, whilst on the smallest scales, the system becomes almost ‘antihyperuniform’, as evidenced by its number variance. Additionally, via a finite scaling analysis, we compute the percolation threshold of the galaxy catalogs, finding this to be significantly lower than for Poisson realizations (at reduced density ηc = 0.25 in our fiducial analysis compared to ηc = 0.34), with strong dependence on the mean density;this is consistent with the observation that the galaxy distribution contains voids of up to 50% larger radius. However, the two sets of simulations appear to share the same fractal dimension

关键词： Galaxies