arXiv subjects

Salvatore Torquato

Publications and source records attributed to Salvatore Torquato.

At least 109 records · Page 6Linked to original sources

arXiv2017

Large-scale structure and hyperuniformity of amorphous ices

We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice (Ih) to produce high-density amorphous ice (HDA). Remarkably, both HDA and LDA are nearly hyperuniform, meaning that they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with both non-equilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and, remarkably, the system becomes hyposurficial (devoid of "surface-area" fluctuations). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of the structural transformations that occur in glasses with varying pressures.

cond-mat.stat-mech↗

arXiv2017

The Weyl-Heisenberg ensemble: hyperuniformity and higher Landau levels

Weyl-Heisenberg ensembles are a class of determinantal point processes associated with the Schrödinger representation of the Heisenberg group. Hyperuniformity characterizes a state of matter for which (scaled) density fluctuations diminish towards zero at the largest length scales. We will prove that Weyl-Heisenberg ensembles are hyperuniform. Weyl-Heisenberg ensembles include as a special case a multi-layer extension of the Ginibre ensemble modeling the distribution of electrons in higher Landau levels, which has recently been object of study in the realm of the Ginibre-type ensembles associated with polyanalytic functions. In addition, the family of Weyl-Heisenberg ensembles includes new structurally anisotropic processes, where point-statistics depend on the different spatial directions, and thus provide a first means to study directional hyperuniformity.

cond-mat.stat-mech↗

arXiv2017

Effect of Window Shape on the Detection of Hyperuniformity via the Local Number Variance

Hyperuniform many particle systems in d-dimensional space, which includes crystals, quasicrystals, and some exotic disordered systems, are characterized by an anomalous suppression of density fluctuations at large length scales such that the local number variance within a "spherical" observation window grows slower than the window volume. In usual circumstances, this direct space condition is equivalent to the Fourier space hyperuniformity condition that the structure factor vanishes as the wavenumber goes to zero. In this paper, we comprehensively study the effect of aspherical window shapes with characteristic size $L$ on the direct space condition for hyperuniform systems. For lattices, we demonstrate that the variance growth rate can depend on the shape as well as the orientation of the windows, and in some cases, the growth rate can be faster than the window volume ($L^d$), which may lead one to falsely conclude that the system is non-hyperuniform solely according to the direct space condition. We analyze the effect of window orientation on the growth rate, especially for two-dimensional lattices using square windows. Based on this analysis, we explain the reason why the variance can grow faster than the window area ($L^2$) or even slower than the window perimeter ($L$). This analysis demonstrates an example of physical systems exhibiting commensurate-incommensurate transitions and is closely related to problems in number theory (e.g., Diophantine approximation and Gauss' circle problem) and discrepancy theory. We prove that for a hyperuniform system its orientationally-averaged variance, instead of the conventional one using windows with a fixed orientation, has a common large-$L$ asymptotic behavior regardless of the window shape (for convex windows), thus it can be used to resolve the window-shape dependence of the growth rate of the variance on the spherical-window condition.

cond-mat.stat-mech↗

arXiv2016

Hyperuniformity of Quasicrystals

Hyperuniform systems, which include crystals, quasicrystals and special disordered systems, have attracted considerable recent attention, but rigorous analyses of the hyperuniformity of quasicrystals have been lacking because the support of the spectral intensity is dense and discontinuous. We employ the integrated spectral intensity, $Z(k)$, to quantitatively characterize the hyperuniformity of quasicrystalline point sets generated by projection methods. The scaling of $Z(k)$ as $k$ tends to zero is computed for one-dimensional quasicrystals and shown to be consistent with independent calculations of the variance, $σ^2(R)$, in the number of points contained in an interval of length $2R$. We find that one-dimensional quasicrystals produced by projection from a two-dimensional lattice onto a line of slope $1/τ$ fall into distinct classes determined by the width of the projection window. For a countable dense set of widths, $Z(k) \sim k^4$; for all others, $Z(k)\sim k^2$. This distinction suggests that measures of hyperuniformity define new classes of quasicrystals in higher dimensions as well.

cond-mat.stat-mech↗

arXiv2016

Structural characterization and statistical-mechanical model of epidermal patterns

In proliferating epithelia of mammalian skin, cells of irregular polygonal-like shapes pack into complex nearly flat two-dimensional structures that are pliable to deformations. In this work, we employ various sensitive correlation functions to quantitatively characterize structural features of evolving packings of epithelial cells across length scales in mouse skin. We find that the pair statistics in direct and Fourier spaces of the cell centroids in the early stages of embryonic development show structural directional dependence, while in the late stages the patterns tend towards statistically isotropic states. We construct a minimalist four-component statistical-mechanical model involving effective isotropic pair interactions consisting of hard-core repulsion and extra short-ranged soft-core repulsion beyond the hard core, whose length scale is roughly the same as the hard core. The model parameters are optimized to match the sample pair statistics in both direct and Fourier spaces. By doing this, the parameters are biologically constrained. Our model predicts essentially the same polygonal shape distribution and size disparity of cells found in experiments as measured by Voronoi statistics. Moreover, our simulated equilibrium liquid-like configurations are able to match other nontrivial unconstrained statistics, which is a testament to the power and novelty of the model. We discuss ways in which our model might be extended so as to better understand morphogenesis (in particular the emergence of planar cell polarity), wound-healing, and disease progression processes in skin, and how it could be applied to the design of synthetic tissues.

cond-mat.stat-mech↗

arXiv2016

Percolation of disordered jammed sphere packings

We determine the site and bond percolation thresholds for a system of disordered jammed sphere packings in the maximally random jammed state, generated by the Torquato-Jiao algorithm. For the site threshold, which gives the fraction of conducting vs. non-conducting spheres necessary for percolation, we find $p_c = 0.3116(3)$, consistent with the 1979 value of Powell $0.310(5)$ and identical within errors to the threshold for the simple-cubic lattice, 0.311608, which shares the same average coordination number of 6. In terms of the volume fraction $φ$, the threshold corresponds to a critical value $φ_c = 0.199$. For the bond threshold, which apparently was not measured before, we find $p_c = 0.2424(3)$. To find these thresholds, we considered two shape-dependent universal ratios involving the size of the largest cluster, fluctuations in that size, and the second moment of the size distribution; we confirmed the ratios' universality by also studying the simple-cubic lattice with a similar cubic boundary. The results are applicable to many problems including conductivity in random mixtures, glass formation, and drug loading in pharmaceutical tablets.

cond-mat.dis-nn↗

arXiv2016

Characterization of Maximally Random Jammed Sphere Packings: II. Correlation Functions and Density Fluctuations

In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of correlation functions that can be rigorously related to effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contacts between spheres in the MRJ packings translate into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then, we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths. These packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, we study and compute exclusion probabilities and pore size distributions as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings based on the structural characteristics analyzed in this paper.

cond-mat.stat-mech↗

arXiv2016

Static Structural Signatures of Nearly Jammed Disordered and Ordered Hard-Sphere Packings: Direct Correlation Function

Dynamical signatures are known to precede jamming in hard-particle systems, but static structural signatures have proven more elusive. The observation that compressing hard-particle packings towards jamming causes growing hyperuniformity has paved the way for the analysis of jamming as an "inverted critical point" in which the direct correlation function $c(r)$ diverges. We establish quantitative relationships between various singularities in $c(r)$ and the total correlation function $h(r)$ that provide a concrete means of identifying features that must be expressed in $c(r)$ if one hopes to reproduce details in the pair correlation function accurately. We also analyze systems of three-dimensional monodisperse hard-spheres of diameter $D$ as they approach ordered and disordered jammed configurations. For the latter, we use the Lubachevsky-Stillinger (LS) and Torquato-Jiao (TJ) packing algorithms, which both generate disordered packings, but can show perceptible structural differences. We identify a short-ranged scaling $c(r) \propto -1/r$ as $r \rightarrow 0$ and show that this, along with the developing delta function at $c(D)$, is a consequence of the growing long-rangedness in $c(r)$. Near the freezing density, we identify qualitative differences in the structure factor $S(k)$ as well as $c(r)$ between TJ- and LS-generated configurations and link them to differences in the protocols' packing dynamics. Configurations from both algorithms have structure factors that approach zero in the low-wavenumber limit as jamming is approached and are shown to exhibit a corresponding power-law decay in $c(r)$ for large $r$ as a consequence. Our work advances the notion that static signatures are exhibited by hard-particle packings as they approach jamming and underscores the utility of the direct correlation function as a means of monitoring for an incipient rigid network.

cond-mat.stat-mech↗

arXiv2016

Disordered Hyperuniform Heterogeneous Materials

Disordered hyperuniform many-body systems are distinguishable states of matter that lie between a crystal and liquid: they are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These systems play a vital role in a number of fundamental and applied problems: glass formation, jamming, rigidity, photonic and electronic band structure, localization of waves and excitations, self-organization, fluid dynamics, quantum systems, and pure mathematics. systems. Here, we derive new rigorous criteria that disordered hyperuniform two-phase heterogeneous materials must obey and explore their consequences. Two-phase heterogeneous media are ubiquitous, examples include composites and porous media, biological media, foams, polymer blends, granular media, cellular solids, and colloids. We rigorously establish the requirements for sphere packings to be "multihyperuniform." We apply realizability conditions for an autocovariance function and its associated spectral density of a two-phase medium, and then incorporate hyperuniformity as a constraint in order to derive new conditions. We show that some functional forms can immediately be eliminated from consideration and identify other forms that are allowable. Specific examples and counterexamples are described. Contact is made with well-known microstructural models as well as irregular phase-separation and Turing-type patterns. We also ascertain a family of spectral densities that are realizable by disordered hyperuniform two-phase media in any space dimension, and present explicit constructions. These studies provide insight into the nature of disordered hyperuniformity in the context of heterogeneous materials and have implications for the design of such novel amorphous materials.

cond-mat.soft↗

arXiv2016

Hyperuniformity and its Generalizations

Disordered many-particle hyperuniform systems are exotic amorphous states characterized by anomalous suppression of large-scale density fluctuations. Here we substantially broaden the hyperuniformity concept along four different directions. This includes generalizations to treat fluctuations in the interfacial area in heterogeneous media and surface-area driven evolving microstructures, random scalar fields, divergence-free random vector fields, as well as statistically anisotropic many-particle systems and two-phase media. Interfacial-area fluctuations play a major role in characterizing the microstructure of two-phase systems , physical properties that intimately depend on the geometry of the interface, and evolving two-phase microstructures that depend on interfacial energies (e.g., spinodal decomposition). In the instances of divergence-free random vector fields and statistically anisotropic structures, we show that the standard definition of hyperuniformity must be generalized such that it accounts for the dependence of the relevant spectral functions on the direction in which the origin in Fourier space (nonanalyticities at the origin). Using this analysis, we place some well-known energy spectra from the theory of isotropic turbulence in the context of this generalization of hyperuniformity. We show that there exist many-particle ground-state configurations in which directional hyperuniformity imparts exotic anisotropic physical properties (e.g., elastic, optical and acoustic characteristics) to these states of matter. Such tunablity could have technological relevance for manipulating light and sound waves in ways heretofore not thought possible. We show that disordered many-particle systems that respond to external fields (e.g., magnetic and electric fields) are a natural class of materials to look for directional hyperuniformity.

cond-mat.dis-nn↗

arXiv2016

Critical slowing down and hyperuniformity on approach to jamming

Hyperuniformity characterizes a state of matter that is poised at a critical point at which density or volume-fraction fluctuations are anomalously suppressed at infinite wavelengths. Recently, much attention has been given to the link between strict jamming and hyperuniformity in frictionless hard-particle packings. Doing so requires one to study very large packings, which can be difficult to jam properly. We modify the rigorous linear programming method of Donev et al. [J. Comp. Phys. 197, 139 (2004)] in order to test for jamming in putatively jammed packings of hard-disks in two dimensions. We find that various standard packing protocols struggle to reliably create packings that are jammed for even modest system sizes; importantly, these packings appear to be jammed by conventional tests. We present evidence that suggests that deviations from hyperuniformity in putative maximally random jammed (MRJ) packings can in part be explained by a shortcoming in generating exactly-jammed configurations due to a type of "critical slowing down" as the necessary rearrangements become difficult to realize by numerical protocols. Additionally, various protocols are able to produce packings exhibiting hyperuniformity to different extents, but this is because certain protocols are better able to approach exactly-jammed configurations. Nonetheless, while one should not generally expect exact hyperuniformity for disordered packings with rattlers, we find that when jamming is ensured, our packings are very nearly hyperuniform, and deviations from hyperuniformity correlate with an inability to ensure jamming, suggesting that strict jamming and hyperuniformity are indeed linked. This raises the possibility that the ideal MRJ packings have no rattlers. Our work provides the impetus for the development of packing algorithms that produce large disordered strictly jammed packings that are rattler-free.

cond-mat.stat-mech↗

arXiv2015

Confined disordered strictly jammed binary sphere packings

Disordered jammed packings under confinement have received considerably less attention than their \textit{bulk} counterparts and yet arise in a variety of practical situations. In this work, we study binary sphere packings that are confined between two parallel hard planes, and generalize the Torquato-Jiao (TJ) sequential linear programming algorithm [Phys. Rev. E {\bf 82}, 061302 (2010)] to obtain putative maximally random jammed (MRJ) packings that are exactly isostatic with high fidelity over a large range of plane separation distances $H$, small to large sphere radius ratio $α$ and small sphere relative concentration $x$. We find that packing characteristics can be substantially different from their bulk analogs, which is due to what we term "confinement frustration". Rattlers in confined packings are generally more prevalent than those in their bulk counterparts. We observe that packing fraction, rattler fraction and degree of disorder of MRJ packings generally increase with $H$, though exceptions exist. Discontinuities in the packing characteristics as $H$ varies in the vicinity of certain values of $H$ are due to associated discontinuous transitions between different jammed states. We also apply the local volume-fraction variance $σ_τ^2(R)$ to characterize confined packings and find that these packings possess essentially the same level of hyperuniformity as their bulk counterparts. Our findings are generally relevant to confined packings that arise in biology (e.g., structural color in birds and insects) and may have implications for the creation of high-density powders and improved battery designs.

cond-mat.stat-mech↗

arXiv2015

Inverse design of disordered stealthy hyperuniform spin chains

Positioned between crystalline solids and liquids, disordered many-particle systems which are stealthy and hyperuniform represent new states of matter that are endowed with novel physical and thermodynamic properties. Such stealthy and hyperuniform states are unique in that they are transparent to radiation for a range of wavenumbers around the origin. In this work, we employ recently developed inverse statistical-mechanical methods, which seek to obtain the optimal set of interactions that will spontaneously produce a targeted structure or configuration as a unique ground state, to investigate the spin-spin interaction potentials required to stabilize disordered stealthy hyperuniform one-dimensional (1D) Ising-like spin chains. By performing an exhaustive search over the spin configurations that can be enumerated on periodic 1D integer lattices containing $N=2,3,\ldots,36$ sites, we were able to identify and structurally characterize \textit{all} stealthy hyperuniform spin chains in this range of system sizes. Within this pool of stealthy hyperuniform spin configurations, we then utilized such inverse optimization techniques to demonstrate that stealthy hyperuniform spin chains can be realized as either unique or degenerate disordered ground states of radial long-ranged (relative to the spin chain length) spin-spin interactions. Such exotic ground states are distinctly different from spin glasses in both their inherent structural properties and the nature of the spin-spin interactions required to stabilize them. As such, the implications and significance of the existence of such disordered stealthy hyperuniform ground state spin systems warrants further study, including whether their bulk physical properties and excited states, like their many-particle system counterparts, are singularly remarkable, and can be experimentally realized.

cond-mat.stat-mech↗

arXiv2015

Ground states of stealthy hyperuniform potentials: I. Entropically favored configurations

Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like "pseudo" disordered equilibrium hard-sphere systems in Fourier space. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero-temperature limit. Our techniques may be applied to sample this limit of the canonical ensemble of other potentials with highly degenerate ground states.

cond-mat.stat-mech↗

arXiv2015

Ground states of stealthy hyperuniform potentials. II. Stacked-slider phases

Stealthy potentials, a family of long-range isotropic pair potentials, produce infinitely degenerate disordered ground states at high densities and crystalline ground states at low densities in d-dimensional Euclidean space R^d. In the previous paper in this series, we numerically studied the entropically favored ground states in the canonical ensemble in the zero-temperature limit across the first three Euclidean space dimensions. In this paper, we investigate using both numerical and theoretical techniques metastable stacked-slider phases, which are part of the ground-state manifold of stealthy potentials at densities in which crystal ground states are favored entropically. Our numerical results enable us to devise analytical models of this phase in two, three, and higher dimensions. Utilizing this model, we estimated the size of the feasible region in configuration space of the stacked-slider phase, finding it to be smaller than that of crystal structures in the infinite-system-size limit, which is consistent with our recent previous work. In two dimensions, we also determine exact expressions for the pair correlation function and structure factor of the analytical model of stacked-slider phases and analyze the connectedness of the ground-state manifold of stealthy potentials in this density regime. We demonstrate that stacked-slider phases are distinguishable states of matter; they are nonperiodic, statistically anisotropic structures that possess long-range orientational order but have zero shear modulus. We outline some possible future avenues of research to elucidate our understanding of this unusual phase of matter.

cond-mat.stat-mech↗

arXiv2015

Characterization of maximally random jammed sphere packings: Voronoi correlation functions

We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution functions of these functionals of Voronoi cells in MRJ sphere packings are qualitatively similar to those of an equilibrium hard-sphere liquid and partly even to the uncorrelated Poisson point process, implying that such local statistics are relatively structurally insensitive. This is not surprising because the Minkowski functionals of a single Voronoi cell incorporate only local information and are insensitive to global structural information. To improve upon this, we introduce descriptors that incorporate nonlocal information via the correlation functions of the Minkowski functionals of two cells at a given distance as well as certain cell-cell probability density functions. We evaluate these higher-order functions for our MRJ packings as well as equilibrium hard spheres and the Poisson point process. We find strong anticorrelations in the Voronoi volumes for the hyperuniform MRJ packings, consistent with previous findings for other pair correlations [A. Donev et al., Phys. Rev. Lett. 95, 090604 (2005)], indicating that large-scale volume fluctuations are suppressed by accompanying large Voronoi cells with small cells, and vice versa. In contrast to the aforementioned local Voronoi statistics, the correlation functions of the Voronoi cells qualitatively distinguish the structure of MRJ sphere packings (prototypical glasses) from that of the correlated equilibrium hard-sphere liquids. Moreover, while we did not find any perfect icosahedra (the locally densest possible structure in which a central sphere contacts 12 neighbors) in the MRJ packings, a preliminary Voronoi topology analysis indicates the presence of strongly distorted icosahedra.

cond-mat.stat-mech↗

arXiv2014

A Cellular Automaton Model for Tumor Dormancy: Emergence of a Proliferative Switch

Malignant cancers that lead to fatal outcomes for patients may remain dormant for very long periods of time. Although individual mechanisms such as cellular dormancy, angiogenic dormancy and immunosurveillance have been proposed, a comprehensive understanding of cancer dormancy and the "switch" from a dormant to a proliferative state still needs to be strengthened from both a basic and clinical point of view. Computational modeling enables one to explore a variety of scenarios for possible but realistic microscopic dormancy mechanisms and their predicted outcomes. The aim of this paper is to devise such a predictive computational model of dormancy with an emergent "switch" behavior. Specifically, we generalize a previous cellular automaton (CA) model for proliferative growth of solid tumor that now incorporates a variety of cell-level tumor-host interactions and different mechanisms for tumor dormancy, for example the effects of the immune system. Our new CA rules induce a natural "competition" between the tumor and tumor suppression factors in the microenvironment. This competition either results in a "stalemate" for a period of time in which the tumor either eventually wins (spontaneously emerges) or is eradicated; or it leads to a situation in which the tumor is eradicated before such a "stalemate" could ever develop. We also predict that if the number of actively dividing cells within the proliferative rim of the tumor reaches a critical, yet low level, the dormant tumor has a high probability to resume rapid growth. Our findings may shed light on the fundamental understanding of cancer dormancy.

physics.bio-ph↗

arXiv2014

Marginal stability in jammed packings: quasicontacts and weak contacts

Maximally random jammed (MRJ) sphere packing is a prototypical example of a system naturally poised at the margin between underconstraint and overconstraint. This marginal stability has traditionally been understood in terms of isostaticity, the equality of the number of mechanical contacts and the number of degrees of freedom. Quasicontacts, pairs of spheres on the verge of coming in contact, are irrelevant for static stability, but they come into play when considering dynamic stability, as does the distribution of contact forces. We show that the effects of marginal dynamic stability, as manifested in the distributions of quasicontacts and weak contacts, are consequential and nontrivial. We study these ideas first in the context of MRJ packing of d-dimensional spheres, where we show that the abundance of quasicontacts grows at a faster rate than that of contacts. We reexamine a calculation of Jin et al. (Phys. Rev. E 82, 051126, 2010), where quasicontacts were originally neglected, and we explore the effect of their inclusion in the calculation. This analysis yields an estimate of the asymptotic behavior of the packing density in high dimensions. We argue that this estimate should be reinterpreted as a lower bound. The latter part of the paper is devoted to Bravais lattice packings that possess the minimum number of contacts to maintain mechanical stability. We show that quasicontacts play an even more important role in these packings. We also show that jammed lattices are a useful setting for studying the Edwards ensemble, which weights each mechanically stable configuration equally and does not account for dynamics. This ansatz fails to predict the power-law distribution of near-zero contact forces, $P(f)\sim f^θ$.

cond-mat.stat-mech↗