arXiv subjects

Subir K. Das

Publications and source records attributed to Subir K. Das.

At least 37 records · Page 2Linked to original sources

arXiv2020

Active Particles in Explicit Solvent: Dynamics of clustering for alignment interaction

We study dynamics of clustering in systems containing active particles that are immersed in an explicit solvent. For this purpose we have adopted a hybrid simulation method, consisting of molecular dynamics and multi-particle collision dynamics. In our model, overlap-avoiding passive interaction of an active particle with another active particle or a solvent particle has been taken care of via variants of Lennard-Jones potential. Dynamic interaction among the active particles has been incorporated via the Vicsek-like self-propulsion that facilitates clustering. We quantify the effects of activity and importance of hydrodynamics on the dynamics of clustering via variations of relevant system parameters. We work with low overall density of active particles. For this the morphology consists of disconnected clusters, the mechanism of growth switching among particle diffusion, diffusive coalescence and ballistic aggregation, depending upon the presence or absence of active and hydrodynamic interactions. Corresponding growth laws have been quantified and discussed in the background of appropriate theoretical pictures. Our results suggest that multi-particle collision dynamics is an effective method for investigation of hydrodynamic phenomena even in active matter systems.

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arXiv2020

How Do Clusters in Phase-Separating Active Matter Systems Grow? A study for Vicsek activity in systems undergoing vapor-solid transition

Via molecular dynamics simulations we have studied kinetics of vapor-"solid" phase transition in an active matter model in which self-propulsion is introduced via the well-known Vicsek rule. The overall density of the particles is chosen in such a way that the evolution morphology consists of disconnected clusters that are defined as regions of high density of particles. Our focus has been on understanding the influence of the above mentioned self-propulsion on structure and growth of these clusters by comparing the results with those for the passive limit of the model that also exhibits vapor-"solid" transition. While in the passive case the growth occurs due to standard diffusive mechanism, the Vicsek activity leads to a very rapid growth, via a process that is practically equivalent to the ballistic aggregation mechanism. The emerging growth law in the latter case has been accurately estimated and explained by invoking information on velocity and structural aspects of the clusters into a relevant theory. Some of these results are also discussed with reference to a model for the active Brownian particles.

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arXiv2020

Kinetics of Domain Growth and Aging in a Two-Dimensional Off-lattice System

We have used molecular dynamics simulations for a comprehensive study of phase separation in a two-dimensional single component off-lattice model where particles interact through the Lennard-Jones potential. Via state-of-the-art methods we have analyzed simulation data on structure, growth and aging for nonequilibrium evolutions in the model. These data were obtained following quenches of well-equilibrated homogeneous configurations, with density close to the critical value, to various temperatures inside the miscibility gap, having vapor-"liquid" as well as vapor-"solid" coexistence. For the vapor-liquid phase separation we observe that $\ell$, the average domain length, grows with time ($t$) as $t^{1/2}$, a behavior that has connection with hydrodynamics. At low enough temperature, a sharp crossover of this time dependence to a much slower, temperature dependent, growth is identified within the time scale of our simulations, implying "solid"-like final state of the high density phase. This crossover is, interestingly, accompanied by strong differences in domain morphology and other structural aspects between the two situations. For aging, we have presented results for the order-parameter autocorrelation function. This quantity exhibits data-collapse with respect to $\ell/\ell_w$, $\ell$ and $\ell_w$ being the average domain lengths at times $t$ and $t_w$ ($\leq t$), respectively, the latter being the age of a system. Corresponding scaling function follows a power-law decay: $~\sim (\ell/\ell_w)^{-λ}$, for $t\gg t_w$. The decay exponent $λ$, for the vapor-liquid case, is accurately estimated via the application of an advanced finite-size scaling method. The obtained value is observed to satisfy a bound.

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arXiv2020

Relaxation in a Phase-separating Two-dimensional Active Matter System with Alignment Interaction

Via computer simulations we study kinetics of pattern formation in a two-dimensional active matter system. Self-propulsion in our model is incorporated via the Vicsek-like activity, i.e., particles have the tendency of aligning their velocities with the average directions of motion of their neighbors. In addition to this dynamic or active interaction, there exists passive inter-particle interaction in the model for which we have chosen the standard Lennard-Jones form. Following quenches of homogeneous configurations to a point deep inside the region of coexistence between high and low density phases, as the systems exhibit formation and evolution of particle-rich clusters, we investigate properties related to the morphology, growth and aging. A focus of our study is on the understanding of the effects of structure on growth and aging. To quantify the latter we use the two-time order-parameter autocorrelation function. This correlation, as well as the growth, is observed to follow power-law time dependence, qualitatively similar to the scaling behavior reported for passive systems. The values of the exponents have been estimated and discussed by comparing with the previously obtained numbers for other dimensions as well as with the new results for the passive limit of the considered model. We have also presented results on the effects of temperature on the activity mediated phase separation.

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arXiv2020

Dependence of Cluster Growth on Coefficient of Restitution in a Cooling Granular Fluid

Starting from configurations having homogeneous spatial density, we study kinetics in a two-dimensional system of inelastically colliding hard particles, a popular model for cooling granular matter. Following an initial time period, the system exhibits a crossover to an inhomogeneous regime that is characterized by the formation and growth of particle-rich clusters. We present results on the time dependence of average mass of the clusters and that of average kinetic energy, obtained via event driven molecular dynamics simulations, for a wide range of values for the coefficient of restitution ($e$), by fixing the overall density of particles in the system to a constant number. The time of onset of crossover from homogeneous to the inhomogeneous regime, as is well known, strongly increases as one moves towards the elastic limit. Nevertheless, our presented results suggest that the asymptotic growth is independent of $e$, for uniform definition of cluster, onset of which has a different $e$-dependence than the onset of above mentioned crossover. In other words, not only the exponent but also the amplitude of the power-law growth, which is widely believed to be the form of the evolution, is at the most very weakly sensitive to the choice of $e$. While it is tempting to attribute this fact to the similar feature in the decay of energy, we caution that our current understanding is not matured enough to draw such a connection between cluster growth and energy decay in a meaningful manner.

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arXiv2020

Aging Exponents for Nonequilibrium Dynamics following Quenches from Critical Point

Via Monte Carlo simulations we study nonequilibrium dynamics in the nearest-neighbor Ising model, following quenches to points inside the ordered region of the phase diagram. With the broad objective of quantifying the nonequilibrium universality classes corresponding to spatially correlated and uncorrelated initial configurations, in this paper we present results for the decay of the order-parameter autocorrelation function for quenches from the critical point. This autocorrelation is an important probe for the aging dynamics in far-from-equilibrium systems and typically exhibits power-law scaling. From the state-of-the-art analysis of the simulation results we quantify the corresponding exponents ($\mathbfλ$) for both conserved and nonconserved (order parameter) dynamics of the model, in space dimension $d=3$. Via structural analysis we demonstrate that the exponents satisfy a bound. We also revisit the $d=2$ case to obtain more accurate results. It appears that irrespective of the dimension, $λ$ is same for both conserved and nonconserved dynamics.

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arXiv2019

Initial Correlation Dependence of Aging in Phase Separating Solid Binary Mixtures and Ordering Ferromagnets

Following quenches of initial configurations having long range spatial correlations, prepared at the demixing critical point, to points inside the miscibility gap, we study aging phenomena in solid binary mixtures. Results on the decay of the two-time order-parameter autocorrelation functions, obtained from Monte Carlo simulations of the two-dimensional Ising model, with Kawasaki exchange kinetics, are analyzed via state-of-the art methods. The outcome is compared with that obtained for the ordering in uniaxial ferromagnets. For the latter, we have performed Monte Carlo simulations of the same model using the Glauber mechanism. For both types of systems we provide comparative discussion of our results with reference to those concerning quenches with configurations having no spatial correlation. We also discuss the role of structure on the decay of these correlations.

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arXiv2019

Aging Phenomena during Phase Separation in Fluids: Decay of autocorrelation for vapor-liquid transitions

We performed molecular dynamics simulations to study relaxation phenomena during vapor-liquid transitions in a single component Lennard-Jones system. Results from two different overall densities are presented; one in the neighborhood of the vapor branch of the coexistence curve and the other being close to the critical density. The nonequilibrium morphologies, growth mechanisms and growth laws in the two cases are vastly different. In the low density case growth occurs via diffusive coalescence of droplets in a disconnected morphology. On the other hand, the elongated structure in the higher density case grows via advective transport of particles inside the tube-like liquid domains. The objective in this work has been to identify how the decay of the order-parameter autocorrelation, an important quantity to understand aging dynamics, differs in the two cases. In the case of the disconnected morphology, we observe a very robust power-law decay, as a function of the ratio of the characteristic lengths at the observation time and at the age of the system, whereas the results for the percolating structure appear rather complex. To quantify the decay in the latter case, unlike standard method followed in a previous study, here we have performed a finite-size scaling analysis. Outcome of this analysis shows the presence of a strong preasymptotic correction, while revealing that in this case also, albeit in the asymptotic limit, the decay follows a power-law. Even though the corresponding exponents in the two cases differ drastically, this study, combined with a few recent ones, suggests that power-law behavior of this correlation function is rather universal in coarsening dynamics.

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arXiv2018

Finite-Size Scaling Study of Aging during Coarsening in Non-Conserved Ising Model: The case of zero temperature quench

Following quenches from random initial configurations to zero temperature, we study aging during evolution of the ferromagnetic (nonconserved) Ising model towards equilibrium, via Monte Carlo simulations of very large systems, in space dimensions $d=2$ and $3$. Results for the two-time autocorrelations, obtained by using different acceptance probabilities for the spin-flip trial moves, are in agreement with each other. We demonstrate the scaling of this quantity with respect to $\ell/\ell_w$, where $\ell$ and $\ell_w$ are the average domain sizes at $t$ and $t_w$ $(\leqslant t)$, the observation and waiting times, respectively. The scaling functions are shown to be of power-law type for $\ell/\ell_{w} \rightarrow \infty$. The exponents of these power-laws have been estimated via the finite-size scaling analyses and discussed with reference to the available results from non-zero temperatures. While in $d=2$ we do not observe any temperature dependence, in the case of $d=3$ the outcome for quench to zero temperature is very different from the available results for high temperature and violates a lower bound, which we explain via structural consideration. We also present results on the freezing phenomena that this model exhibits at zero temperature. Furthermore, from simulations of extremely large system, thereby avoiding the freezing effect, it has been confirmed that the growth of average domain size in $d=3$, that remained a puzzle in the literature, follows the Lifshitz-Allen-Cahn law in the asymptotic limit.

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arXiv2018

Do the contact angle and line tension of surface-attached droplets depend on the radius of curvature?

Results from Monte Carlo simulations of wall-attached droplets in the three-dimensional Ising lattice gas model and in a symmetric binary Lennard-Jones fluid, confined by antisymmetric walls, are analyzed, with the aim to estimate the dependence of the contact angle $(Θ)$ on the droplet radius $(R)$ of curvature. Sphere-cap shape of the wall-attached droplets is assumed throughout. An approach, based purely on "thermodynamic" observables, e.g., chemical potential, excess density due to the droplet, etc., is used, to avoid ambiguities in the decision which particles belong (or do not belong, respectively) to the droplet. It is found that the results are compatible with a variation $[Θ(R)-Θ_{\infty}] \propto 1/R$, $Θ_{\infty}$ being the contact angle in the thermodynamic limit ($R=\infty$). The possibility to use such results to estimate the excess free energy related to the contact line of the droplet, namely the line tension, at the wall, is discussed. Various problems that hamper this approach and were not fully recognized in previous attempts to extract the line tension are identified. It is also found that the dependence of wall tensions on the difference of chemical potential of the droplet from that at the bulk coexistence provides effectively a change of the contact angle of similar magnitude. The simulation approach yields precise estimates for the excess density due to wall-attached droplets and the corresponding free energy excess, relative to a system without a droplet at the same chemical potential. It is shown that this information suffices to estimate nucleation barriers, not affected by ambiguities on droplet shape, contact angle and line tension.

cond-mat.soft↗

arXiv2017

Dimension Dependence of Clustering Dynamics in Models of Ballistic Aggregation and Freely Cooling Granular Gas

Via event-driven molecular dynamics simulations we study kinetics of clustering in assemblies of inelastic particles in various space dimensions. We consider two models, viz., the ballistic aggregation model (BAM) and the freely cooling granular gas model (GGM), for each of which we quantify the time dependence of kinetic energy and average mass of clusters (that form due to inelastic collisions). These quantities, for both the models, exhibit power-law behavior, at least in the long time limit. For the BAM, corresponding exponents exhibit strong dimension dependence and follow a hyperscaling relation. In addition, in the high packing fraction limit the behavior of these quantities become consistent with a scaling theory that predicts an inverse relation between energy and mass. On the other hand, in the case of the GGM we do not find any evidence for such a picture. In this case, even though the energy decay, irrespective of packing fraction, matches quantitatively with that for the high packing fraction picture of the BAM, it is inversely proportional to the growth of mass only in one dimension, and the growth appears to be rather insensitive to the choice of the dimension, unlike the BAM.

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arXiv2017

Finite-size scaling study of dynamic critical phenomena in a vapor-liquid transition

Via a combination of molecular dynamics (MD) simulations and finite-size scaling (FSS) analysis, we study dynamic critical phenomena for the vapor-liquid transition in a three dimensional Lennard-Jones system. The phase behavior of the model, including the critical point, have been obtained via the Monte Carlo simulations. The transport properties, viz., the bulk viscosity and the thermal conductivity, are calculated via the Green-Kubo relations, by taking inputs from the MD simulations in the microcanonical ensemble. The critical singularities of these quantities are estimated via the FSS method. The results thus obtained are in nice agreement with the predictions of the dynamic renormalization group and mode-coupling theories.

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arXiv2017

Coarsening in 3D Nonconserved Ising Model at Zero Temperature: Anomalies in structure and relaxation of order-parameter autocorrelation

Via Monte Carlo simulations we study pattern and aging during coarsening in nonconserved nearest neighbor Ising model, following quenches from infinite to zero temperature, in space dimension $d=3$. The decay of the order-parameter autocorrelation function is observed to obey a power-law behavior in the long time limit. However, the exponent of the power-law, estimated accurately via a state-of-art method, violates a well-known lower bound. This surprising fact has been discussed in connection with a quantitative picture of the structural anomaly that the 3D Ising model exhibits during coarsening at zero temperature. These results are compared with those for quenches to a temperature above that of the roughening transition.

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arXiv2017

Ballistic Aggregation in Systems of Inelastic Particles: Cluster growth, structure and aging

We study far-from-equilibrium dynamics in models of freely cooling granular gas and ballistically aggregating compact clusters. For both the cases, from event driven molecular dynamics simulations we have presented detailed results on structure and dynamics in space dimensions $d=1$ and $2$. Via appropriate analyses it has been confirmed that the ballistic aggregation mechanism applies in $d=1$ granular gases as well. Aging phenomena for this mechanism, in both the dimensions, have been studied via the two-time density autocorrelation function. This quantity is demonstrated to exhibit scaling property similar to that in the standard phase transition kinetics. The corresponding functional forms have been quantified and discussed in connection with the structural properties. Our results on aging establish a more complete equivalence between the granular gas and the ballistic aggregation models in $d=1$.

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arXiv2017

Droplet growth during vapor-liquid transition in a 2D Lennard-Jones fluid

Results for the kinetics of vapor-liquid phase transition have been presented from the molecular dynamics simulations of a single component two-dimensional Lennard-Jones fluid. The phase diagram for the model, primary prerequisite for this purpose, has been obtained via the Monte Carlo simulations. Our focus is on the region very close to the vapor branch of the coexistence curve. Quenches to such region provide morphology that consists of disconnected circular liquid clusters in the vapor background. We identified that these clusters exhibit diffusive motion and grow via sticky collisions among them. The growth follows power-law behavior with time, exponent of which is found to be in nice agreement with a theoretical prediction.

cond-mat.soft↗

arXiv2016

Kinetics of Ferromagnetic Ordering in 3D Ising Model: Do we understand the case of zero temperature quench?

We study phase ordering dynamics in the three-dimensional nearest-neighbor Ising model, following rapid quenches from infinite to zero temperature. Results on various aspects, viz., domain growth, persistence, aging and pattern, have been obtained via the Glauber Monte Carlo simulations of the model on simple cubic lattice. These are analyzed via state-of-the-art methods, including the finite-size scaling, and compared with those for quenches to a temperature above the roughening transition. Each of these properties exhibit remarkably different behavior at the above mentioned final temperatures. Such a temperature dependence is absent in the two-dimensional case for which there is no roughening transition.

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arXiv2016

Pattern, Growth and Aging in a Colony of Clustering Active Swimmers

Via molecular dynamics simulations, we study the kinetics in a phase separating active matter model. Quantitative results for the isotropic bicontinuous pattern formation, its growth and aging, studied, respectively, via the two-point equal-time density-density correlation function, the average domain length and the two-time density autocorrelation function, are presented. Both the correlation functions exhibit basic scaling properties, implying self-similarity in the pattern dynamics, for which the average domain size exhibits a power-law growth in time. The equal-time correlation has a short distance behavior that provides reasonable agreement of the corresponding structure factor tail with the Porod law. The autocorrelation decay is a power-law in the average domain size. Apart from these basic similarities, the quantitative behavior of the above mentioned observables are found to be vastly different from those of the corresponding passive limit of the model which also undergoes phase separation. The functional forms of these have been quantified. An exceptionally rapid growth in the active system occurs due to fast coherent motion of the particles, mean-squared-displacements of which exhibit multiple scaling regimes, including a long time ballistic one.

cond-mat.soft↗

arXiv2016

Fractality in Persistence Decay and Domain Growth during Ferromagnetic Ordering: Dependence upon initial correlation

Dynamics of ordering in Ising model, following quench to zero temperature, have been studied via Glauber spin-flip Monte Carlo simulations in space dimensions $d=2$ and $3$. One of the primary objectives has been to understand phenomena associated with the persistent spins, viz., time decay in the number of unaffected spins, growth of the corresponding pattern and its fractal dimensionality, for varying correlation length in the initial configurations, prepared at different temperatures, at and above the critical value. It is observed that the fractal dimensionality and the exponent describing the power-law decay of persistence probability are strongly dependent upon the relative values of nonequilibrium domain size and the initial equilibrium correlation length. Via appropriate scaling analyses, these quantities have been estimated for quenches from infinite and critical temperatures. The above mentioned dependence is observed to be less pronounced in higher dimension. In addition to these findings for the local persistence, we present results for the global persistence as well. Further, important observations on the standard domain growth problem are reported. For the latter, a controversy in $d=3$, related to the value of the exponent for the power-law growth of the average domain size with time, has been resolved.

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