arXiv subjects

Jiarul Midya

Publications and source records attributed to Jiarul Midya.

14 recordsLinked to original sources

arXiv2026

Anomalous temperature dependence in phase transitions via ballistic coalescence

We study kinetics of phase transitions within a single component Lennard-Jones model. For low enough particle densities disconnected clusters form that can move ballistically in an inviscid vapor background. The clusters undergo sticky collisions, thereby forming larger aggregates, which can be of fractal nature at ultra cold temperatures. As the temperature is varied, the exponent of the algebraic growth of average cluster mass changes, exhibiting pronounced nonmonotonic character. We capture this anomalous behavior, in two and three space dimensions, within a ballistic aggregation theory. We show that the scope of the theory is much broader than the typically considered case where cluster motions are uncorrelated. An analysis of the theory shows that ballistic aggregation can even occur exponentially fast. This is in sharp contrast with the conventional algebraic picture, regarding passive matter phase transitions. We discuss scenario where such explosive growth can be realized. In addition, our results are widely relevant in understanding structure and growth in aerosols, cosmic dust and other aggregation processes.

cond-mat.soft↗

arXiv2025

Wrapping nonspherical vesicles at bio-membranes

The wrapping of particles and vesicles by lipid bilayer membranes is a fundamental process in cellular transport and targeted drug delivery. Here, we investigate the wrapping behavior of nonspherical vesicles, such as ellipsoidal, prolate, oblate, and stomatocytes, by systematically varying the bending rigidity of the vesicle membrane and the tension of the planar membrane. Using the Helfrich Hamiltonian, triangulated membrane models, and energy minimization techniques, we predict multiple stable wrapping states and identify the conditions for their coexistence. Our results demonstrate that softer vesicles bind more easily to planar membranes; however, achieving complete wrapping requires significantly higher adhesion strengths compared to rigid particles. As membrane tension increases, deep-wrapped states disappear at a triple point where shallow-wrapped, deep-wrapped, and complete-wrapped states coexist. The coordinates of the triple point are highly sensitive to the vesicle shape and stiffness. For stomatocytes, increasing stiffness shifts the triple point to higher adhesion strengths and membrane tensions, while for oblates it shifts to lower values, influenced by shape changes during wrapping. Oblate shapes are preferred in shallow-wrapped states and stomatocytes in deep-wrapped states. In contrast to hard particles, where optimal adhesion strength for complete wrapping occurs at tensionless membranes, complete wrapping of soft vesicles requires finite membrane tension for optimal adhesion strength. These findings provide new insights into the interplay between vesicle deformability, shape, and membrane properties, advancing our understanding of endocytosis and the design of advanced biomimetic delivery systems.

cond-mat.soft↗

arXiv2024

Phase Behavior and Dynamics of Active Brownian Particles in an Alignment Field

Self-propelled particles that are subject to noise are a well-established generic model system for active matter. A homogeneous alignment field can be used to orient the direction of the self-propulsion velocity and to model systems like phoretic Janus particles with a magnetic dipole moment or magnetotactic bacteria in an external magnetic field. Computer simulations are used to predict the phase behavior and dynamics of self-propelled Brownian particles in a homogeneous alignment field in two dimensions. Phase boundaries of the gas-liquid coexistence region are calculated for various P\'eclet numbers, particle densities, and alignment field strengths. Critical points and exponents are calculated and, in agreement with previous simulations, do not seem to belong to the universality class of the 2D Ising model. Finally, the dynamics of spinodal decomposition for quenching the system from the one-phase to the two-phase coexistence region by increasing P\'eclet number is characterized. Our results may help to identify parameters for optimal transport of active matter in complex environments.

cond-mat.stat-mech↗

arXiv2022

Growth and aging in a few phase-separating active matter systems

Via computer simulations we study evolution dynamics in systems of continuously moving Active Brownian Particles. The obtained results are discussed against those from the passive 2D Ising case. Following sudden quenches of uniform configurations to state points lying within the miscibility gaps and to the critical points, we investigate the far-from-steady-state dynamics by calculating quantities associated with structure and characteristic length scales. We also study aging for quenches into the miscibility gap and provide a quantitative picture for the scaling behavior of the two-time order-parameter correlation function. The overall structure and dynamics are consistent with expectations from the Ising model. This remains true for certain active lattice models as well for which we present results for quenches to the critical points.

cond-mat.soft↗

arXiv2022

Membrane-Mediated Interactions Between Nonspherical Elastic Particles

The transport of particles across lipid-bilayer membranes is important for biological cells to exchange information and material with their environment. Large particles often get wrapped by membranes, a process which has been intensively investigated in the case of hard particles. However, many particles in vivo and in vitro are deformable, e.g., vesicles, filamentous viruses, macromolecular condensates, polymer-grafted nanoparticles, and microgels. Vesicles may serve as a generic model system for deformable particles. Here, we study non-spherical vesicles with various sizes, shapes, and elastic properties at initially planar lipid-bilayer membranes. Using the Helfrich Hamiltonian, triangulated membranes, and energy minimization, we predict the interplay of vesicle shapes and wrapping states. Increasing particle softness enhances the stability of shallow-wrapped and deep-wrapped states over non-wrapped and complete-wrapped states. The free membrane mediates an interaction between partial-wrapped vesicles. For the pair interaction between deep-wrapped vesicles, we predict repulsion. For shallow-wrapped vesicles, we predict attraction for tip-to-tip orientation and repulsion for side-by-side orientation. Our predictions may guide the design and fabrication of deformable particles for efficient use in medical applications, such as targeted drug delivery.

cond-mat.soft↗

arXiv2021

Wetting transitions of polymer solutions: Effects of chain length and chain stiffness

Wetting and drying phenomena are studied for flexible and semiflexible polymer solutions via coarse-grained molecular dynamics simulations and density functional theory calculations. The study is based on the use of Young's equation for the contact angle, determining all relevant surface tensions from the anisotropy of the pressure tensor. The solvent quality (or effective temperature, equivalently) is varied systematically, while all other interactions remain unaltered. For flexible polymers, the wetting transition temperature $T_{\rm w}$ increases monotonically with chain length $N$, while the contact angle at temperatures far below $T_{\rm w}$ is independent of $N$. For semiflexible polymer solutions, $T_{\rm w}$ varies non-monotonically with the persistence length: Initially, $T_{\rm w}$ increases with increasing chain stiffness and reaches a maximum, but then a sudden drop of $T_{\rm w}$ is observed, which is associated with the isotropic-nematic transition of the system.

cond-mat.soft↗

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.

cond-mat.soft↗

arXiv2020

Entropic Unmixing in Nematic Blends of Semiflexible Polymers

Binary mixtures of semiflexible polymers with the same chain length but different persistence lengths separate into two coexisting different nematic phases when the osmotic pressure of the lyotropic solution is varied. Molecular Dynamics simulations and Density Functional Theory predict phase diagrams either with a triple point, where the isotropic phase coexists with two nematic phases, or a critical point of unmixing within the nematic mixture. The difference in locally preferred bond angles between the constituents drives this unmixing without any attractive interactions between monomers.

cond-mat.soft↗

arXiv2019

Phase behavior of flexible and semiflexible polymers in solvents of varying quality

The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained models, with a bond-angle potential to control chain stiffness, for chain lengths comparable to the persistence length of the chains. We varied both the density of the monomeric units and the effective temperature that controls the quality of the implicit solvent. For very stiff chains only a single transition from an isotropic fluid to a nematic is found, with a phase diagram of "swan-neck" topology. For less stiff chains, however, also unmixing between isotropic fluids of different concentration, ending in a critical point, occurs for temperatures above a triple point. The associated critical behavior is examined in the MD simulations and found compatible with Ising universality. Apart from this critical behavior, DFT calculations agree qualitatively with the MD simulations.

cond-mat.soft↗

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.

cond-mat.stat-mech↗

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 Vapor-Solid Phase Transitions: Structure, growth and mechanism

Kinetics of separation between the low and high density phases in a single component Lennard-Jones model has been studied via molecular dynamics simulations, at a very low temperature, in the space dimension $d=2$. For densities close to the vapor (low density) branch of the coexistence curve, disconnected clusters of the high density phase exhibit ballistic motion, the kinetic energy distribution of the clusters being closely Maxwellian. Starting from nearly circular shapes, at the time of nucleation, these clusters grow via sticky collisions, gaining filament-like nonequilibrium structure at late times, with a very low fractal dimensionality. The origin of the latter is shown to lie in the low mobility of the constituent particles, in the corresponding cluster reference frame, due to the (quasi-long-range) crystalline order. Standard self-similarity in the domain pattern, typically observed in kinetics of phase transitions, is found to be absent in this growth process. This invalidates the common method, that provides a growth law same as in immiscible solid mixtures, of quantifying growth. An appropriate alternative approach, involving the fractality in the structure, quantifies the growth of the characteristic "length" to be a power-law with time, the exponent being surprisingly high. The observed growth law has been derived via a nonequilibrium kinetic theory.

cond-mat.stat-mech↗

arXiv2015

Kinetics of Fluid Phase Separation

We review understanding of kinetics of fluid phase separation in various space dimensions. Morphological differences, percolating or disconnected, based on overall composition in a binary liquid or density in a vapor-liquid system, have been pointed out. Depending upon the morphology, various possible mechanisms and corresponding theoretical predictions for domain growth are discussed. On computational front, useful models and simulation methodologies have been presented. Theoretically predicted growth laws have been tested via molecular dynamics simulations of vapor-liquid transitions. In case of disconnected structure, the mechanism has been confirmed directly. This is a brief review on the topic for a special issue on coarsening dynamics, expected to appear in Comptes Rendus Physique.

cond-mat.stat-mech↗

arXiv2015

Dimensionality Dependence of Aging in Kinetics of Diffusive Phase Separation: Behavior of order-parameter autocorrelation

Behavior of two-time autocorrelation during the phase separation in solid binary mixtures are studied via numerical solutions of the Cahn-Hilliard equation as well as Monte Carlo simulations of the Ising model. Results are analyzed via state-of-the-art methods, including the finite-size scaling technique. Full forms of the autocorrelation in space dimensions $2$ and $3$ are obtained empirically. The long time behavior are found to be power-law type, with exponents unexpectedly higher than the ones for the ferromagnetic ordering. Both Chan-Hilliard and Ising models provide results consistent with each other.

cond-mat.stat-mech↗