arXiv subjects

Patrick Charbonneau

Publications and source records attributed to Patrick Charbonneau.

At least 37 records · Page 2Linked to original sources

arXiv2021

Three simple scenarios for high-dimensional sphere packings

Based on results from the physics and mathematics literature which suggest a series of clearly defined conjectures, we formulate three simple scenarios for the fate of hard sphere crystallization in high dimension: (A) crystallization is impeded and the glass phase constitutes the densest packing, (B) crystallization from the liquid is possible, but takes place much beyond the dynamical glass transition and is thus dynamically implausible, or (C) crystallization is possible and takes place before (or just after) dynamical arrest, thus making it plausibly accessible from the liquid state. In order to assess the underlying conjectures and thus obtain insight into which scenario is most likely to be realized, we investigate the densest sphere packings in dimension $d=3$-$10$ using cell-cluster expansions as well as numerical simulations. These resulting estimates of the crystal entropy near close-packing tend to support scenario C. We additionally confirm that the crystal equation of state is dominated by the free volume expansion and that a meaningful polynomial correction can be formulated.

cond-mat.stat-mech↗

arXiv2021

Thermodynamic stability of hard sphere crystals in dimensions 3 through 10

Although much is known about the metastable liquid branch of hard spheres--from low dimension $d$ up to ${d\to\infty}$--its crystal counterpart remains largely unexplored for $d>3$. In particular, it is unclear whether the crystal phase is thermodynamically stable in high dimensions and thus whether a mean-field theory of crystals can ever be exact. In order to determine the stability range of hard sphere crystals, their equation of state is here estimated from numerical simulations, and fluid-crystal coexistence conditions are determined using a generalized Frenkel-Ladd scheme to compute absolute crystal free energies. The results show that the crystal phase is stable at least up to $d=10$, and the dimensional trends suggest that crystal stability likely persists well beyond that point.

cond-mat.stat-mech↗

arXiv2021

The dimensional evolution of structure and dynamics in hard sphere liquids

The formulation of the mean-field, infinite-dimensional solution of hard sphere glasses is a significant milestone for theoretical physics. How relevant this description might be for understanding low-dimensional glass-forming liquids, however, remains unclear. These liquids indeed exhibit a complex interplay between structure and dynamics, and the importance of this interplay might only slowly diminish as dimension $d$ increases. A careful numerical assessment of the matter has long been hindered by the exponential increase of computational costs with $d$. By revisiting a once common simulation technique involving the use of periodic boundary conditions modeled on $D_d$ lattices, we here partly sidestep this difficulty, thus allowing the study of hard sphere liquids up to $d=13$. Parallel efforts by Mangeat and Zamponi [Phys. Rev. E 93, 012609 (2016)] have expanded the mean-field description of glasses to finite $d$ by leveraging standard liquid-state theory, and thus help bridge the gap from the other direction. The relatively smooth evolution of both structure and dynamics across the $d$ gap allows us to relate the two approaches, and to identify some of the missing features that a finite-$d$ theory of glasses might hope to include to achieve near quantitative agreement.

cond-mat.stat-mech↗

arXiv2021

Finite size effects in the microscopic critical properties of jammed configurations: A comprehensive study of the effects of different types of disorder

Jamming criticality defines a universality class that includes systems as diverse as glasses, colloids, foams, amorphous solids, constraint satisfaction problems, neural networks, etc. A particularly interesting feature of this class is that small interparticle forces ($f$) and gaps ($h$) are distributed according to nontrivial power laws. A recently developed mean-field (MF) theory predicts the characteristic exponents of these distributions in the limit of very high spatial dimension, $d\rightarrow\infty$ and, remarkably, their values seemingly agree with numerical estimates in physically relevant dimensions, $d=2$ and $3$. These exponents are further connected through a pair of inequalities derived from stability conditions, and both theoretical predictions and previous numerical investigations suggest that these inequalities are saturated. Systems at the jamming point are thus only marginally stable. Despite the key physical role played by these exponents, their systematic evaluation has yet to be attempted. Here, we carefully test their value by analyzing the finite-size scaling of the distributions of $f$ and $h$ for various particle-based models for jamming. Both dimension and the direction of approach to the jamming point are also considered. We show that, in all models, finite-size effects are much more pronounced in the distribution of $h$ than in that of $f$. We thus conclude that gaps are correlated over considerably longer scales than forces. Additionally, remarkable agreement with MF predictions is obtained in all but one model, namely near-crystalline packings. Our results thus help to better delineate the domain of the jamming universality class. We furthermore uncover a secondary linear regime in the distribution tails of both $f$ and $h$. This surprisingly robust feature is understood to follow from the (near) isostaticity of our configurations.

cond-mat.dis-nn↗

arXiv2021

Numerical transfer matrix study of frustrated next-nearest-neighbor Ising models on square lattices

Ising models with frustrated next-nearest-neighbor interactions present a rich morphology of modulated phases. These phases, however, assemble and relax slowly, which hinders their computational study. In two dimensions, strong fluctuations further hamper determining their equilibrium phase behavior from theoretical approximations. The exact numerical transfer matrix (TM) method, which bypasses these difficulties, can serve as a benchmark method once its own numerical challenges are surmounted. Building on our recent study [Hu and Charbonneau, Phys. Rev. B 103, 094441 (2021)], in which we evaluated the two-dimensional axial next-nearest-neighbor Ising (ANNNI) model with transfer matrices, we here extend the effective usage of the TM method into the Ising models with biaxial, diagonal, and third-nearest-neighbor frustrations (BNNNI, DNNI, and 3NNI models). Thanks to the high-accuracy numerics provided by the TM results, various physical ambiguities about these reference models are resolved and an overview of modulated phase formation is obtained.

cond-mat.stat-mech↗

arXiv2021

High-dimensional percolation criticality and hints of mean-field-like caging of the random Lorentz gas

The random Lorentz gas (RLG) is a minimal model for transport in disordered media. Despite the broad relevance of the model, theoretical grasp over its properties remains weak. For instance, the scaling with dimension d of its localization transition at the void percolation threshold is not well controlled analytically nor computationally. A recent study [Biroli et al. Phys. Rev. E L030104 (2021)] of the caging behavior of the RLG motivated by the mean-field theory of glasses has uncovered physical inconsistencies in that scaling that heighten the need for guidance. Here, we first extend analytical expectations for asymptotic high-d bounds on the void percolation threshold, and then computationally evaluate both the threshold and its criticality in various d. In high-d systems, we observe that the standard percolation physics is complemented by a dynamical slowdown of the tracer dynamics reminiscent of mean-field caging. A simple modification of the RLG is found to bring the interplay between percolation and mean-field-like caging down to d=3.

cond-mat.dis-nn↗

arXiv2021

Solution of Disordered Microphases in the Bethe approximation

The periodic microphases that self-assemble in systems with competing short-range attractive and long-range repulsive interactions are structurally both rich and elegant. Significant theoretical and computational efforts have thus been dedicated to untangling their properties. By contrast, disordered microphases, which are structurally just as rich but nowhere near as elegant, have not been as carefully considered. Part of the difficulty is that simple mean-field descriptions make a homogeneity assumption that washes away all of their structural features. Here, we study disordered microphases by exactly solving a SALR model on the Bethe lattice. By sidestepping the homogenization assumption, this treatment recapitulates many of the key structural regimes of disordered microphases, including particle and void cluster fluids as well as gelation. This analysis also provides physical insight into the relationship between various structural and thermal observables, between criticality and physical percolation, as well as between glassiness and microphase ordering.

cond-mat.soft↗

arXiv2021

Characterization and Efficient Monte Carlo Sampling of Disordered Microphases

The disordered microphases that develop in the high-temperature phase of systems with competing short-range attractive and long-range repulsive (SALR) interactions result in a rich array of distinct morphologies, such as cluster, void cluster and percolated (gel-like) fluids. These different structural regimes exhibit complex relaxation dynamics with significant relaxation heterogeneity and slowdown. The overall relationship between structure and configurational sampling schemes, however, remains largely uncharted. In this article, the disordered microphases of a schematic SALR model are thoroughly characterized, and structural relaxation functions adapted to each regime are devised. The sampling efficiency of various advanced Monte Carlo (MC) sampling schemes--Virtual-Move (VMMC), Aggregation-Volume-Bias (AVBMC) and Event-Chain (ECMC)--is then assessed. A combination of VMMC and AVBMC is found to be computationally most efficient for cluster fluids and ECMC to become relatively more efficient as density increases. These results offer a complete description of the equilibrium disordered phase of a simple microphase former as well as dynamical benchmarks for other sampling schemes.

cond-mat.soft↗

arXiv2021

Interplay between percolation and glassiness in the random Lorentz gas

The random Lorentz gas (RLG) is a minimal model of transport in heterogeneous media. It also models the dynamics of a tracer in a glassy system. These two perspectives, however, are fundamentally inconsistent. Arrest in the former is related to percolation, and hence continuous, while glass-like arrest is discontinuous. In order to clarify the interplay between percolation and glassiness in the RLG, we consider its exact solution in the infinite-dimensional $d\rightarrow\infty$ limit, as well as numerics in $d=2\ldots 20$. We find that the mean field solutions of the RLG and glasses fall in the same universality class, and that instantonic corrections related to rare cage escapes destroy the glass transition in finite dimensions. This advance suggests that the RLG can be used as a toy model to develop a first-principle description of hopping in structural glasses.

cond-mat.stat-mech↗

arXiv2021

Mean-field caging in a random Lorentz gas

The random Lorentz gas (RLG) is a minimal model of both percolation and glassiness, which leads to a paradox in the infinite-dimensional, $d\rightarrow\infty$ limit: the localization transition is then expected to be continuous for the former and discontinuous for the latter. As a putative resolution, we have recently suggested that as $d$ increases the behavior of the RLG converges to the glassy description, and that percolation physics is recovered thanks to finite-$d$ perturbative and non-perturbative (instantonic) corrections [Biroli et al. arXiv:2003.11179]. Here, we expand on the $d\rightarrow\infty$ physics by considering a simpler static solution as well as the dynamical solution of the RLG. Comparing the $1/d$ correction of this solution with numerical results reveals that even perturbative corrections fall out of reach of existing theoretical descriptions. Comparing the dynamical solution with the mode-coupling theory (MCT) results further reveals that although key quantitative features of MCT are far off the mark, it does properly capture the discontinuous nature of the $d\rightarrow\infty$ RLG. These insights help chart a path toward a complete description of finite-dimensional glasses.

cond-mat.dis-nn↗

arXiv2021

Percolation thresholds on high dimensional $D_n$ and dense packing lattices

The site and bond percolation problems are conventionally studied on (hyper)cubic lattices, which afford straightforward numerical treatments. The recent implementation of efficient simulation algorithms for high-dimensional systems now also facilitates the study of $D_n$ root lattices in $n$ dimension as well as $E_8$-related dense packing lattices. Here, we consider the percolation problem on $D_n$ for $n=3$ to $13$ and on $E_8$ relatives for $n=6$ to 9. Precise estimates for both site and bond percolation thresholds obtained from invasion percolation simulations are compared with dimensional series expansion on $D_n$ lattices based on lattice animal enumeration. As expected, the bond percolation threshold rapidly approaches the Bethe lattice limit as $n$ increases for these high-connectivity lattices. Corrections, however, exhibit clear yet unexplained trends. Interestingly, the finite-size scaling exponent for invasion percolation is found to be lattice and percolation-type specific.

cond-mat.stat-mech↗

arXiv2020

Resolving the two-dimensional ANNNI model using transfer matrices

The phase diagram of the two-dimensional ANNNI model has long been theoretically debated. Extremely long structural correlations and relaxation times further result in numerical simulations making contradictory predictions. Here, we introduce a numerical transfer matrix treatment that bypasses these problems, and thus overcome various ambiguities in the phase diagram. In particular, we confirm the transition temperatures and clarify the order of the transition to the floating incommensurate phase. Our approach motivates considering transfer matrices for resolving long-standing problems in related statistical physics models.

cond-mat.stat-mech↗

arXiv2020

Comment on "Kosterlitz-Thouless-type caging-uncaging transition in a quasi-one-dimensional hard disk system" [Phys. Rev. Research 2, 033351 (2020)]

Huerta et al. [Phys. Rev. Research 2, 033351 (2020)] report a power-law decay of positional order in numerical simulations of hard disks confined within hard parallel walls, which they interpret as a Kosterlitz-Thouless-type caging-uncaging transition. The proposed existence of such a transition in a quasi-one-dimensional (q1D) system, however, contradicts long-held physical expectations. To clarify if the proposed ordering persists in the thermodynamic limit, we introduce an exact transfer matrix approach to expeditiously generate equilibrium configurations for systems of arbitrary size. The power-law decay of positional order is found to extend only over finite distances. We conclude that the numerical simulation results reported are associated with a crossover, and not a proper thermodynamic phase transition.

cond-mat.soft↗

arXiv2020

Memory formation in jammed hard spheres

Liquids equilibrated below an onset density share similar inherent states, while above that density their inherent states markedly differ. Although this phenomenon was first reported in simulations over 20 years ago, the physical origin of this memory remains controversial. Its absence from mean-field descriptions, in particular, has long cast doubt on its thermodynamic relevance. Motivated by a recent theoretical proposal, we reassess the onset phenomenology in simulations using a fast hard sphere jamming algorithm and find it both thermodynamically and dimensionally robust. Remarkably, we also uncover a second type of memory associated with a Gardner-like change in behavior along the jamming algorithm.

cond-mat.stat-mech↗

arXiv2019

Finite-dimensional vestige of spinodal criticality above the dynamical glass transition

Finite-dimensional signatures of spinodal criticality are notoriously difficult to come by. The dynamical transition of glass-forming liquids, first described by mode-coupling theory, is a spinodal instability preempted by thermally activated processes that also limit how close the instability can be approached. We combine numerical tools to directly observe vestiges of the spinodal criticality in finite-dimensional glass formers. We use the swap Monte Carlo algorithm to efficiently thermalise configurations beyond the mode-coupling crossover, and analyze their dynamics using a scheme to screen out activated processes, in spatial dimensions ranging from $d=3$ to $d=9$. We observe a strong softening of the mean-field square-root singularity in $d=3$ that is progressively restored as $d$ increases above $d=8$, in surprisingly good agreement with perturbation theory.

cond-mat.stat-mech↗

arXiv2019

Front-mediated melting of ultrastable glasses

Ultrastable vapor-deposited glasses display uncommon material properties. Most remarkably, upon heating they are believed to melt via a liquid front that originates at the free surface and propagates over a mesoscopic crossover length, before crossing over to bulk melting. We combine swap Monte Carlo with molecular dynamics simulations to prepare and melt isotropic amorphous films of unprecedendtly high kinetic stability. We are able to directly observe both bulk and front melting, and the crossover between them. We measure the front velocity over a broad range of conditions, and a crossover length scale that grows to nearly $400$ particle diameters in the regime accessible to simulations. Our results disentangle the relative roles of kinetic stability and vapor deposition in the physical properties of stable glasses.

cond-mat.soft↗

arXiv2019

Using schematic models to understand the microscopic basis for inverted solubility in $γ$D-crystallin

Inverted solubility--a crystal melting upon cooling--is observed in a handful of proteins, such as carbomonoxy hemoglobin and $γ$D-crystallin. In human $γ$D-crystallin, the phenomenon is associated with the mutation of the 23$^\mathrm{rd}$ residue, a proline, to a threonine, serine or valine. One proposed microscopic mechanism for this effect entails an increase in hydrophobicity upon mutagenesis. Recent crystal structures of a double mutant that includes the P23T mutation allows for a more careful investigation of this proposal. Here, we first measure the surface hydrophobicity of various mutant structures of this protein and determine that it does not discernibly increase upon the mutating the 23$^\mathrm{rd}$ residue. We then investigate the solubility inversion regime with a schematic patchy particle model that includes one of three models for temperature-dependent patch energies: two of the hydrophobic effect, and a more generic description. We conclude that while solubility inversion due to the hydrophobic effect may be possible, microscopic evidence to support it in $γ$D-crystallin is weak. More generally, we find that solubility inversion requires a fine balance between patch strengths and the temperature-dependent contribution, which may explain why inverted solubility is not commonly observed in proteins. In any event, we also find that the temperature-dependent interaction has only a negligible impact on the critical properties of the $γ$D-crystallin, in line with previous experimental observations.

q-bio.BM↗

arXiv2019

Perspective: Gardner Physics in Amorphous Solids and Beyond

One of the most remarkable predictions to emerge out of the exact infinite-dimensional solution of the glass problem is the Gardner transition. Although this transition was first theoretically proposed a generation ago for certain mean-field spin glass models, its materials relevance was only realized when a systematic effort to relate glass formation and jamming was undertaken. A number of nontrivial physical signatures associated to the Gardner transition have since been considered in various areas, from models of structural glasses to constraint satisfaction problems. This Perspective surveys these recent advances and discusses the novel research opportunities that arise from them.

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