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We develop an action formalism to calculate probabilities of rare events in cluster-cluster aggregation for arbitrary collision kernels and establish a pathwise large deviation principle with total mass being the rate. As an application, the rate function for the number of surviving particles as well as the optimal evolution trajectory are calculated exactly for the constant, sum and product kernels. For the product kernel, we argue that the second derivative of the rate function has a discontinuity. The theoretical results agree with simulations tailored to the calculation of rare events.

Acoustic emission (AE) activity data resulting from the fracture processes of brittle materials is valuable real time information regarding the evolving state of damage in the material. Here, through a combined experimental and computational study we explore the possibility of utilising the statistical signatures of AE activity data for characterisation of disorder parameter in simulation of tensile fracture of epoxy based polymer. For simulations we use a square random spring network model with quasi-brittle spring behaviour and a normally distributed failure strain threshold. We show that the disorder characteristics while have marginal effect on the power law exponent of the avalanche size distribution, are strongly correlated with the waiting time interval between consecutive record breaking avalanches as well as the total number of records. This sensitivity to disorder is exploited in estimating the disorder parameter suitable for the experiments on tensile failure of epoxy based polymer. The disorder parameter is estimated assuming equivalence between the amplitude distribution of AE data and avalanche size distribution of the simulations. The chosen disorder parameter is shown to well reproduce the failure characteristics in terms of the peak load of the macroscopic response, the power-law behaviour with avalanche dominated fracture type as well as realistic fracture paths.

We study the role of record statistics of damage avalanches in predicting the fracture of a heterogeneous material under tensile loading. The material is modeled using a two-dimensional random spring network where disorder is introduced through randomness in the breakage threshold strains of the springs. It is shown that the waiting time between successive records of avalanches has a maximum for moderate disorder, thus showing an acceleration of records with impending fracture. Such a signature is absent for low disorder strength when the fracture is nucleation-dominated, and high disorder strength when the fracture is percolation type. We examine the correlation between the record with the maximum waiting time and the crossover record at which the avalanche statistics change from off-critical to critical. Compared to the avalanche based predictor for failure, we show that the record statistics have the advantage of both being real-time as well as able to predict final fracture at much smaller strains. We also show that in the avalanche-dominated regime, the failure strain is shown to have a linear relation with the strain at the maximum waiting time, making possible a quantitative prediction., Comment: 9 pages, 7 figures

Using extensive molecular dynamics simulations, we obtain the conformational phase diagram of a charged polymer in the presence of oppositely charged counterions and neutral attractive crowders for monovalent, divalent and trivalent counterion valencies. We demonstrate that the charged polymer can exist in three phases: (1) an extended phase for low charge densities and weak polymer-crowder attractive interactions ($CE$), (2) a collapsed phase for high charge densities and weak polymer-crowder attractive interactions, primarily driven by counterion condensation ($CCI$), and (3) a collapsed phase for strong polymer-crowder attractive interactions, irrespective of the charge density, driven by crowders acting as bridges or crosslinks ($CCB$). Importantly, the simulations reveal that the interaction with crowders can induce collapse, despite the presence of strong repulsive electrostatic interactions, and can replace condensed counterions to facilitate a direct transition from the $CCI$ and $CE$ phases to the $CCB$ phase., Comment: 12 pages, 10 figures

The hysteretic behavior exhibited by collagen fibrils, when subjected to cyclic loading, is known to result in both dissipation as well as accumulation of residual strain. On subsequent relaxation, partial recovery has also been reported. Cross-links have been considered to play a key role in overall mechanical properties. Here, we modify an existing coarse grained molecular dynamics model for collagen fibril with initially cross-linked collagen molecules, which is known to reproduce the response to uniaxial strain, by incorporating reformation of cross-links to allow for possible recovery of the fibril. Using molecular dynamics simulations, we show that our model successfully replicates the key features observed in experimental data, including the movement of hysteresis loops, the time evolution of residual strains and energy dissipation, as well as the recovery observed during relaxation. We also show that the characteristic cycle number, describing the approach towards steady state, has a value similar to that in experiments. We also emphasize the vital role of the degree of cross-linking on the key features of the macroscopic response to cyclic loading.

This article contains our comments and views on the status of the current understanding of phase transitions in systems with only hard-core interactions, based on our work in this area. The equation of state for the hard sphere gas in $d$-dimensions is discussed. The universal repulsive Lee-Yang singularities in the complex activity plane, and its relation to the directed and undirected polymer models are outlined. We also discuss orientationally disordered crystalline mesophases, and some of their models.

Mpemba effect refers to the counterintuitive phenomenon of a hotter system equilibrating faster than a colder system when both are quenched to the same low temperature. For a Brownian particle trapped in a piece-wise linear single well potential that is devoid of any other metastable minima we show the existence of Mpemba effect for a wide range of parameters through an exact solution. This result challenges the prevalent explanation of the Mpemba effect that requires the energy landscape to be rugged with multiple minima. We also demonstrate the existence of inverse and strong Mpemba effects., Comment: 5 pages, 4 figures

The Mpemba effect is a fingerprint of the anomalous relaxation phenomenon wherein an initially hotter system equilibrates faster than an initially colder system when both are quenched to the same low temperature. Experiments on a single colloidal particle trapped in a carefully shaped double well potential have demonstrated this effect recently [Nature 584, 64 (2020)]. In a similar vein, here, we consider a piece-wise linear double well potential that allows us to demonstrate the Mpemba effect using an exact analysis based on the spectral decomposition of the corresponding Fokker-Planck equation. We elucidate the role of the metastable states in the energy landscape as well as the initial population statistics of the particles in showcasing the Mpemba effect. Crucially, our findings indicate that neither the metastability nor the asymmetry in the potential is a necessary or a sufficient condition for the Mpemba effect to be observed., Comment: 14 pages, 9 figures, Included minor changes as compared to its previous version

Mpemba effect refers to the counterintuitive effect where a system which is initially further from the final steady state equilibrates faster than an identical system that is initially closer. The closeness to the final state is defined in terms of a distance measure. For driven granular systems, the Mpemba effect has been illustrated in terms of an ad-hoc measure of mean kinetic energy as the distance function. In this paper, by studying four different distance measures based on the mean kinetic energies as well as velocity distribution, we show that the Mpemba effect depends on the definition of the measures., Comment: 16 pages, 8 figures

We study ballistic aggregation on a two dimensional square lattice, where particles move ballistically in between momentum and mass conserving coalescing collisions. Three models are studied based on the shapes of the aggregates: in the first the aggregates remain point particles, in the second they retain the fractal shape at the time of collision, and in the third they assume a spherical shape. The exponents describing the power law temporal decay of number of particles and energy as well as dependence of velocity correlations on mass are determined using large scale Monte Carlo simulations. It is shown that the exponents are universal only for the point particle model. In the other two cases, the exponents are dependent on the initial number density and correlations vanish at high number densities. The fractal dimension for the second model is close to 1.49., Comment: 14 pages, 23 figures

Extensive coarse grained molecular dynamics simulations are performed to investigate the conformational phase diagram of a neutral polymer in the presence of attractive crowders. We show that, for low crowded densities, the polymer predominantly shows three phases as a function of both intra polymer and polymer-crowder interactions: (1) weak intra polymer and weak polymer-crowder attractive interactions induce extended or coil polymer conformations (phase E) (2) strong intra polymer and relatively weak polymer-crowder attractive interactions induce collapsed or globular conformations (phase CI) and (3) strong polymer-crowder attractive interactions, regardless of intra polymer interactions, induce a second collapsed or globular conformation that encloses bridging crowders (phase CB). The detailed phase diagram is obtained by determining the phase boundaries delineating the different phases based on an analysis of the radius of gyration as well as bridging crowders. The dependence of the phase diagram on strength of crowder-crowder attractive interactions and crowder density is clarified. We also show that when the crowder density is increased, a third collapsed phase of the polymer emerges for weak intra polymer attractive interactions. This crowder density induced compaction is shown to be enhanced by stronger crowder-crowder attraction and is different from the depletion induced collapse mechanism which is primarily driven by repulsive interactions. We also provide a unified explanation of the observed reentrant swollen/extended conformations of earlier simulations of weak and strongly self interacting polymers in terms of crowder-crowder attractive interactions.

We develop a biased Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation for arbitrary collision kernels. Given a trajectory with a fixed number of collisions, the algorithm modifies both the waiting times between collisions, as well as the sequence of collisions, using local moves. We show that the algorithm is ergodic by giving a protocol that transforms an arbitrary trajectory to a standard trajectory using valid Monte Carlo moves. The algorithm can sample rare events with probabilities of the order of $10^{-40}$ and lower. The algorithm's effectiveness in sampling low-probability events is established by showing that the numerical results for the large deviation function of constant-kernel aggregation reproduce the exact results. It is shown that the algorithm can obtain the large deviation functions for other kernels, including gelling ones, as well as the instanton trajectories for atypical times. The dependence of the autocorrelation times, both temporal and configurational, on the different parameters of the algorithm is also characterized., Comment: 26 pages, 10 figures

Hard core lattice gas models are minimal models to study entropy driven phase transitions. In the $k$-NN lattice gas, a particle excludes all sites upto the $k$-th next-nearest neighbors from being occupied by another particle. As $k$ increases from one, it extrapolates from nearest neighbor exclusion to the hard sphere gas. In this paper, we study the model on the triangular lattice for $k\leq 7$ using a flat histogram algorithm that includes cluster moves. Earlier studies had focused on $k\leq 3$. We show that for $4\leq k\leq 7$, the system undergoes a single phase transition from a low-density fluid phase to a high-density sublattice-ordered phase. Using partition function zeros and non-convexity properties of the entropy, we show that the transitions are discontinuous. The critical chemical potential, coexistence densities, and critical pressure are determined accurately., Comment: 14 pages and 20 figures in main paper. 5 pages and 4 figures in supplemental material

Collagen fibrils, when subjected to cyclic loading, are known to exhibit hysteretic behaviour with energy dissipation that is partially recovered on relaxation. In this paper, we develop a kinetic model for a collagen fibril incorporating presence of hidden loops and stochastic fragmentation as well as reformation of sacrificial bonds. We show that the model reproduces well the characteristic features of reported experimental data on cyclic response of collagen fibrils, such as moving hysteresis loops, time evolution of residual strains and energy dissipation, recovery on relaxation, etc. We show that the approach to the steady state is controlled by a characteristic cycle number for both residual strain as well as energy dissipation, and is in good agreement with reported existing experimental data., Comment: 12 figures

The exact solution of the Euler equation, which describes the time evolution of a blast wave created by an intense explosion, is a classic problem in gas dynamics. However, it has been found that the analytical results do not match with results from molecular dynamics simulation of hard spheres in two and three dimensions. In this paper, we show that the mismatch between theory and simulations can be resolved by considering the Navier Stokes equation. From the direct numerical simulation of the Navier Stokes equation in two and three dimensions, we show that the inclusion of heat conduction and viscosity terms is essential to capture the results from molecular dynamics simulations., Comment: 13 pages, 7 figures

A system of hard rigid rods of length $k$ on hypercubic lattices is known to undergo two phases transitions when chemical potential is increased: from a low density isotropic phase to an intermediate density nematic phase, and on further increase to a high-density phase with no orientational order. In this paper, we argue that, for large $k$, the second phase transition is a first order transition with a discontinuity in density in all dimensions greater than $1$. We show the chemical potential at the transition is $\approx k \ln [k /\ln k]$ for large $k$, and that the density of uncovered sites drops from a value $ \approx (\ln k)/k^2$ to a value of order $\exp(-ak)$, where $a$ is some constant, across the transition. We conjecture that these results are asymptotically exact, in all dimensions $d\geq 2$. We also present evidence of coexistence of nematic and disordered phases from Monte Carlo simulations for rods of length $9$ on the square lattice., Comment: 14 pages, 19 figures

We obtain the phase diagram of fully-packed hard plates on a cubic lattice. Each plate covers an elementary plaquette of the cubic lattice and occupies its four vertices, with each vertex of the cubic lattice occupied by exactly one such plate. We consider the general case with fugacities $s_\mu$ for `$\mu$ plates', whose normal is the $\mu$ direction ($\mu = x,y,z$). At and close to the isotropic point, we find, consistent with previous work, a phase with long-range sublattice order. When two of the fugacities $s_{\rm \mu_1}$ and $s_{\mu_2}$ are comparable, and the third fugacity $s_{\mu_{3}}$ is much smaller, we find a spontaneously-layered phase. In this phase, the system breaks up into disjoint slabs of width two stacked along the $\mu_3$ axis. $\mu_1$ and $\mu_2$ plates are preferentially contained entirely within these slabs, while plates straddling two successive slabs have a lower density. In the opposite limit, with $\mu_3 \gg \mu_1 \sim \mu_2$, we find a phase with long-range columnar order, corresponding to simultaneous $Z_2$ symmetry breaking of lattice translation symmetry in directions $\mu_1$ and $\mu_2$. The spontaneously-layered phases display critical behaviour, with power-law decay of correlations in the $\mu_1$ and $\mu_2$ directions when the slabs are stacked in the $\mu_3$ direction, and represent examples of `floating phases' discussed earlier in the context of coupled Luttinger liquids and quasi-two-dimensional classical systems. We ascribe this remarkable behaviour to the constrained motion of defects in this phase, and develop a coarse-grained effective field theoretical understanding of the stability of power-law order in this unusual three-dimensional floating phase., Comment: Clarifications and some details (including two new figures) added

We study the phase diagram of a system of $2\times 2\times 1$ hard plates on the three dimensional cubic lattice, {\em i.e.} a lattice gas of plates that each cover an elementary plaquette of the cubic lattice and occupy its four vertices, with the constraint that no two plates occupy the same site of the cubic lattice. We focus on the isotropic system, with equal fugacities for the three orientations of plates. We show, using grand canonical Monte Carlo simulations, that the system undergoes two density-driven phase transitions with increasing density of plates: the first from a disordered fluid to a layered phase, and the second from the layered phase to a sublattice-ordered phase. In the layered phase, the system breaks up into disjoint slabs of thickness two along one spontaneously chosen cartesian direction. Plates with normals perpendicular to this layering direction are preferentially contained entirely within these slabs, while plates straddling two successive slabs have a lower density. Additionally the symmetry between the three types of plates is spontaneously broken, as plates with normal along the layering direction have a lower density than the other two types of plates. Intriguingly, the occupied slabs exhibit two-dimensional power-law columnar order even in the presence of a nonzero density of vacancies. In contrast, inter-slab correlations of the two-dimensional columnar order parameter decay exponentially with the separation between the slabs. In the sublattice-ordered phase, there is two-fold ($Z_2$) breaking of lattice translation symmetry along all three cartesian directions. We present numerical evidence that the disordered to layered transition is continuous and consistent with the three-dimensional $O(3)$ universality class, while the layered to sublattice transition is first-order in nature., Comment: incorporates some corrections and several clarifications

We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem. Phys. 151, 104702 (2019)], it was claimed that the lattice gas with third nearest neighbor exclusion undergoes two phase transitions with increasing density, with the phase at intermediate densities exhibiting hexatic order with continuously varying exponents. Though a hexatic phase is expected when the exclusion range is large, it has not been seen earlier in hard core lattice gases with short range exclusion. In this paper, by numerically determining the entropies for all densities, we show unambiguously that there is only a single phase transition in the system between a low-density fluid phase and a high-density ordered sublattice phase, and that a hexatic phase is absent. The transition is shown to be first order in nature and the critical parameters are determined accurately., Comment: 11 pages, 5 figures, 63 references

We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of states of hard-core lattice gases. We show that the algorithm is able to efficiently sample low entropy states that are usually difficult to access, even when the excluded volume per particle is large. The algorithm is based on simultaneously evaporating all the particles in a strip and reoccupying these sites with a new appropriately chosen configuration. We implement the algorithm for the particular case of the hard-core lattice gas in which the first k next-nearest neighbors of a particle are excluded from being occupied. It is shown that the algorithm is able to reproduce the known results for k = 1,2,3 both on the square and cubic lattices. We also show that, in comparison, the corresponding flat histogram algorithms with either local moves or unbiased cluster moves are less accurate and do not converge as the system size increases., Comment: 19 Pages, 25 figures

Through an exact analysis, we show the existence of Mpemba effect in an anisotropically driven inelastic Maxwell gas, a simplified model for granular gases, in two dimensions. Mpemba effect refers to the couterintuitive phenomenon of a hotter system relaxing to the steady state faster than a cooler system, when both are quenched to the same lower temperature. The Mpemba effect has been illustrated in earlier studies on isotropically driven granular gases, but its existence requires non-stationary initial states, limiting experimental realisation. In this paper, we demonstrate the existence of the Mpemba effect in anisotropically driven granular gases even when the initial states are non-equilibrium steady states. The precise conditions for the Mpemba effect, its inverse, and the stronger version, where the hotter system cools exponentially faster are derived., Comment: 18 pages, 4 figures. arXiv admin note: text overlap with arXiv:2004.11559

We demonstrate the existence, as well as determine the conditions, of a Mpemba effect - a counterintuitive phenomenon where a hotter system equilibrates faster than a cooler system when quenched to a cold temperature - in anisotropically driven granular gases. In contrast to earlier studies of Mpemba effect in granular systems, the initial states are stationary, making it a suitable system to experimentally study the effect. Our theoretical predictions for the regular, inverse and strong Mpemba effects agree well with results of event-driven molecular dynamics simulations of hard discs., Comment: 5 pages, 4 figures and supplemental material

Multi-phase materials, such as composite materials, exhibit multiple competing failure mechanisms during the growth of a macroscopic defect. For the simulation of the overall fracture process in such materials, we develop a two-phase spring network model that accounts for the architecture between the different components as well as the respective disorders in their failure characteristics. In the specific case of a plain weave architecture, we show that any offset between the layers reduces the delocalization of the stresses at the crack tip and thereby substantially lowers the strength and fracture toughness of the overall laminate. The avalanche statistics of the broken springs do not show a distinguishable dependence on the offsets between layers. The power law exponents are found to be much smaller than that of disordered spring network models in the absence of a crack. A discussion is developed on the possibility of the avalanche statistics being those near breakdown., Comment: 13 pages, 22 figures

We determine the asymptotic behavior of the entropy of full coverings of a $L \times M$ square lattice by rods of size $k\times 1$ and $1\times k$, in the limit of large $k$. We show that full coverage is possible only if at least one of $L$ and $M$ is a multiple of $k$, and that all allowed configurations can be reached from a standard configuration of all rods being parallel, using only basic flip moves that replace a $k \times k$ square of parallel horizontal rods by vertical rods, and vice versa. In the limit of large $k$, we show that the entropy per site $S_2(k)$ tends to $ A k^{-2} \ln k$, with $A=1$. We conjecture, based on a perturbative series expansion, that this large-$k$ behavior of entropy per site is super-universal and continues to hold on all $d$-dimensional hyper-cubic lattices, with $d \geq 2$., Comment: 13 pages, 12 figures

The process of association and tracking of sensor detections is a key element in providing situational awareness. When the targets in the scenario are dense and exhibit high maneuverability, Multi-Target Tracking (MTT) becomes a challenging task. The conventional techniques to solve such NP-hard combinatorial optimization problem involves multiple complex models and requires tedious tuning of parameters, failing to provide an acceptable performance within the computational constraints. This paper proposes a model free end-to-end approach for airborne target tracking system using sensor measurements, integrating all the key elements of multi target tracking -- association, prediction and filtering using deep learning with memory. The challenging task of association is performed using the Bi-Directional Long short-term memory (LSTM) whereas filtering and prediction are done using LSTM models. The proposed modular blocks can be independently trained and used in multitude of tracking applications including non co-operative (e.g., radar) and co-operative sensors (e.g., AIS, IFF, ADS-B). Such modular blocks also enhances the interpretability of the deep learning application. It is shown that performance of the proposed technique outperforms conventional state of the art technique Joint Probabilistic Data Association with Interacting Multiple Model (JPDA-IMM) filter., Comment: Submitted to Journal

We study the large scale behavior of a collection of hard core run and tumble particles on a one dimensional lattice with periodic boundary conditions. Each particle has persistent motion in one direction decided by an associated spin variable until the direction of spin is reversed. We map the run and tumble model to a mass transfer model with fluctuating directed bonds. We calculate the steady state single site mass distribution in the mass model within a mean field approximation for larger spin-flip rates and by analyzing an appropriate coalescence fragmentation model for small spin-flip rates. We also calculate the hydrodynamic coefficients of diffusivity and conductivity for both large and small spin-flip rates and show that the Einstein relation is violated in both regimes. We also show how the non-gradient nature of the process can be taken into account in a systematic manner to calculate the hydrodynamic coefficients., Comment: 23 pages, 18 figures

Mpemba effect refers to the counterintuitive result that, when quenched to a low temperature, a system at higher temperature may equilibrate faster than one at intermediate temperatures. This effect has recently been demonstrated in driven granular gases, both for smooth as well as rough hard-sphere systems based on a perturbative analysis. In this paper, we consider the inelastic driven Maxwell gas, a simplified model for a granular gas, where the rate of collision is assumed to be independent of the relative velocity. Through an exact analysis, we determine the conditions under which a Mpemba effect is present in this model. For mono-dispersed gases, we show that the Mpemba effect is present only when the initial states are allowed to be non-stationary, while for bi-dispersed gases, it is present for steady state initial states. We also demonstrate the existence of the strong Mpemba effect for bi-dispersed Maxwell gas wherein the system at higher temperature relaxes to a final steady state at an exponentially faster rate leading to smaller equilibration time., Comment: 15 pages, 8 figures