We provide a quantitative analysis of all kinds of topological defects present in 2D passive and active repulsive disk systems. We show that the passage from the solid to the hexatic is driven by the unbinding of dislocations. Instead, although we see dissociation of disclinations as soon as the liquid phase appears, extended clusters of defects largely dominate below the solid-hexatic critical line. The latter percolate at the hexatic-liquid transition in continuous cases or within the coexistence region in discontinuous ones, and their form gets more ramified for increasing activity.
Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects (dislocations and disclinations) play a role in 2D melting. To capture the main features of the 2D melting transition and investigate the respective roles of these two classes of defects, we study a discrete elastic model consisting of an array of nodes connected by springs, for which the relative number of geometrical defects (modeled as broken springs) and topolo…
We report Monte Carlo studies of a two-dimensional soft colloidal crystal confined in a strip geometry by parallel walls. The wall-particle interaction has corrugations along the length of the strip. Compressing the crystal by decreasing the distance between the walls induces a structural transition characterized by the sudden appearance of a one-dimensional array of extended defects each of which span several lattice parameters, a "soliton staircase". We obtain the effective interaction between these defects. A Lindemann criterion shows that the reduction of dimensionality causes a finite per…
We set up a harmonic lattice model for 2D defect melting which, in contrast to earlier simple-cubic models, lives on a triangular lattice. Integer-valued plastic defect gauge fields allow for the thermal generation of dislocations and disclinations. The model produces universal formulas for the melting temperature expressed in terms of the elastic constants, which are different from those derived for square lattices. They determine a Lindemann-like parameter for two-dimensional melting. In contrast to the square crystal which underwent a first-order melting transition, the triangular model mel…
We investigate by direct numerical solution of appropriate renormalization flow equations, the validity of a recent dislocation unbinding theory for laser induced freezing/melting in two dimensions. The bare elastic moduli and dislocation fugacities which are inputs to the flow equations are obtained for three different 2-d systems (hard disk, inverse $12^{th}$ power and the Derjaguin-Landau-Verwey-Overbeek potentials) from a restricted Monte Carlo simulation sampling only configurations {\em without} dislocations. We conclude that (a) the flow equations need to be correct at least up to third…
We consider a two dimensional colloidal dispersion of soft-core particles driven by a one dimensional stochastic flashing ratchet that induces a time averaged directed particle current through the system. It undergoes a non-equilibrium melting transition as the directed current approaches a maximum associated with a resonance of the ratcheting frequency with the relaxation frequency of the system. We use extensive molecular dynamics simulations to present a detailed phase diagram in the ratcheting rate-mean density plane. With the help of numerically calculated structure factor, solid and hexa…
We find that crystalline states of repulsive active Brownian particles at high activity melt into a hexatic state but this transition is not driven by an unbinding of bound dislocation pairs as suggested by the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. Upon reducing the density, the crystalline state melts into a high-density hexatic state devoid of any defects. Decreasing the density further, the dislocations proliferate and introduce plasticity in the system, nevertheless maintaining the hexatic state, but eventually melting into a fluid state. Remarkably, the elastic constan…
Employing the fracton-elastic duality, we develop a low-energy effective theory of a zero-temperature vortex crystal in a two-dimensional bosonic superfluid which naturally incorporates crystalline topological defects. We extract static interactions between these defects and investigate several continuous quantum transitions triggered by the Higgs condensation of vortex vacancies/interstitials and dislocations. We propose that the quantum melting of the vortex crystal towards the hexatic or smectic phase may occur via a pair of continuous transitions separated by an intermediate vortex superso…
By using topological current theory, we study the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it is found topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting, and merging of disclinations are given.
We present a detailed numerical simulation study of a two dimensional system of particles interacting via the Weeks-Chandler-Anderson potential, the repulsive part of the Lennard-Jones potential. With reduction of density, the system shows a two-step melting: a continuous melting from solid to hexatic phase, followed by a a first order melting of hexatic to liquid. The solid-hexatic melting is consistent with the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) scenario and shows dislocation unbinding. The first order melting of hexatic to fluid phase, on the other hand, is dominated by forma…
We simulate a model of repulsively interacting colloids on a commensurate two-dimensional triangular pinning substrate where the amount of heterogeneous motion that appears at melting can be controlled systematically by turning off a fraction of the pinning sites. We correlate the amount of heterogeneous motion with the average topological defect number, time dependent defect fluctuations, colloid diffusion, and the form of the van Hove correlation function. When the pinning sites are all off or all on, the melting occurs in a single step. When a fraction of the sites are turned off, the melti…
We provide a comprehensive quantitative analysis of localized and extended topological defects in the steady state of 2D passive and active repulsive Brownian disk systems. We show that, both in and out-of-equilibrium, the passage from the solid to the hexatic is driven by the unbinding of dislocations, in quantitative agreement with the KTHNY singularity. Instead, although disclinations dissociate as soon as the liquid phase appears, extended clusters of defects largely dominate below the solid-hexatic critical line. The latter percolate in the liquid phase very close to the hexatic-liquid tr…
We investigate stability properties of the radially symmetric solution corresponding to the vortex defect (so called "melting hedgehog") in the framework of the Landau - de Gennes model of nematic liquid crystals. We prove local stability of the melting hedgehog under arbitrary $Q$-tensor valued perturbations in the temperature regime near the critical supercooling temperature. As a consequence of our method, we also rediscover the loss of stability of the vortex defect in the deep nematic regime.
The motion of topological defects is an important feature of the dynamics of all liquid crystals, and is especially conspicuous in active liquid crystals. Understanding defect motion is a challenging theoretical problem, because the dynamics of orientational order is coupled with backflow of the fluid, and because a liquid crystal has several distinct viscosity coefficients. Here, we suggest a coarse-grained, variational approach, which describes the motion of defects as effective `particles.' For passive liquid crystals, the theory shows how the drag depends on defect orientation, and shows t…
The melting transition in solid monolayers of a series of short-chained n-alkanes, n-octane (n-C8H18), n-decane (n-C10H22), and n-dodecane (n-C12H26) physisorbed onto the graphite basal plane are studied through use of molecular dynamics simulations. Utilizing previous experimental observations of the solid phase behavior of these monolayers, this study investigates the temperature dependence of the phases and phase transitions in these three monolayers during the solid-fluid phase transition, and compares the observed melting behavior to previous studies of hexane and butane monolayers. In pa…
We numerically investigate a colloidal particle driven through a colloidal crystal as a function of temperature. When the charge of the driven particle is larger or comparable to that of the colloids comprising the crystal, a local melting can occur, characterized by defect generation in the lattice surrounding the driven particle. The generation of the defects is accompanied by an increase in the drag force on the driven particle, as well as large noise fluctuations. We discuss the similarities of these results to the peak effect phenomena observed for vortices in superconductors.
We investigate the emergence of orientational order among +1/2 disclinations in active nematic liquid crystals. Using a combination of theoretical and experimental methods, we show that +1/2 disclinations have short-range antiferromagnetic alignment, as a consequence of the elastic torques originating from their polar structure. The presence of intermediate -1/2 disclinations, however, turns this interaction from anti-aligning to aligning at scales that are smaller than the typical distance between like-sign defects. No long-range orientational order is observed. Strikingly, these effects are …
We investigate experimentally the collective behavior of a wet granular monolayer under vertical vibrations. The spherical particles are partially wet such that there are short-ranged attractive interactions between adjacent particles. As the vibration strength increases, clustering, reorganizing and melting regimes are identified subsequently through a characterization with the bond-orientational order parameters and the mean kinetic energy of the particles. The melting transition is found to be a continuous process starting from the defects inside the crystal.
In experiments the two-dimensional systems are realized mainly on solid substrates which introduce quenched disorder due to some inherent defects. The defects of substrates influence the melting scenario of the systems and have to be taken into account in the interpretation of the experimental results. We present the results of the molecular dynamics simulations of the two dimensional system with the core-softened potential in which a small fraction of the particles is pinned, inducing quenched disorder.The potentials of this type are widely used for the qualitative description of the systems …
We present detailed Monte Carlo results for the two-dimensional melting transition of various systems up to N=65536 hard disks. The simulations are performed in the NVT ensemble, using a new updating scheme. In the isotropic phase the bond orientational correlation length xi_6 and the susceptibility chi_6 are measured and compared with the predictions of the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. From the scaling relation of xi_6 and chi_6 we calculate the critical exponent eta_6. In the phase transition region we use finite-size scaling methods to locate the disclination bi…
We have performed Brownian dynamics simulations on melting of two-dimensional colloidal crystal in which particles interact with Yukawa potential. The pair correlation function and bond-orientational correlation function was calculated in the Yukawa system. An algebraic decay of the bond orientational correlation function was observed. By ruling out the coexistence region, only a unstable hexatic phase was found in the Yukawa systems. But our work shows that the melting of the Yukawa systems is a two-stage melting not consist with the KTHNY theory and the isotropic liquid and the hexatic phase…
Dislocation pileups directly impact the material properties of crystalline solids through the arrangement and collective motion of interacting dislocations. We study the statistical mechanics of these ordered defect structures embedded in two dimensional crystals, where the dislocations themselves form one-dimensional lattices. In particular, pileups exemplify a new class of inhomogeneous crystals characterized by spatially varying lattice spacings. By analytically formulating key statistical quantities and comparing our theory to numerical experiments using an intriguing mapping of dislocatio…
We report the specific heat $c_N$ around the melting transition(s) of micrometer-sized superparamagnetic particles confined in two dimensions, calculated from fluctuations of positions and internal energy, and corresponding Monte Carlo simulations. Since colloidal systems provide single particle resolution, they offer the unique possibility to compare the experimental temperatures of peak position of $c_N(T)$ and symmetry breaking, respectively. While order parameter correlation functions confirm the Kosterlitz-Thouless-Halperin-Nelson-Young melting scenario where translational and orientation…
Ordering and Defect Dynamics in Passive and Active Nematopolars
Universitá degli Studi di Bari（巴里大学）；INFN, Sezione di Bari（意大利国家核物理研究所巴里分部）；CY Cergy Paris Université（塞吉-蓬图瓦兹巴黎大学）；Kavli Institute for Theoretical Physics, University of California Santa Barbara（加州大学圣塔芭芭拉分校卡弗里理论物理研究所）
Topological defects such as dislocations and disclinations are predicted to determine the twodimensional (2-D) melting transition. In 2-D superconducting vortex lattices, macroscopic measurements evidence melting close to the transition to the normal state. However, the direct observation at the scale of individual vortices of the melting sequence has never been performed. Here we provide step by step imaging through scanning tunneling spectroscopy of a 2-D system of vortices up to the melting transition in a focused-ion-beam nanodeposited W-based superconducting thin film. We show directly th…
We investigate similarities in the micro-structural dynamics between externally driven and actively driven nematics. Walls, lines of strong deformations in the director field, and topological defects are characteristic features of an active nematic. Similar structures form in driven passive nematics when there are inhomogeneities in imposed velocity gradients due to non-linear flow fields or geometrical constraints. Specifically, pressure driven flow of a tumbling passive nematic in an expanding-contracting channel produces walls and defects similar to those seen in active nematics. We also st…
Melting of two-dimensional (2D) equilibrium crystals, from superconducting vortex lattices to colloidal structures, is a complex phenomenon characterized by the sequential loss of positional and orientational order. Whereas melting processes in passive systems are typically triggered by external heat injection, active matter crystals can self-assemble and melt into an active fluid by virtue of their intrinsic motility and inherent non-equilibrium stresses. Emergent crystal-like order has been observed in recent experiments on suspensions of swimming sperm cells, fast-moving bacteria, Janus col…
Molecular dynamics simulations are utilized to study the melting transition in pentane (C5H12) and heptane (C7H16), physisorbed onto the basal plane of graphite at near-monolayer coverages. Through use of the newest, optimized version of the anisotropic united-atom model (AUA4) to simulate both systems at two separate coverages, this study provides evidence that the melting transition for pentane and heptane monolayers are significantly different. Specifically, this study proposes a very rapid transition from the solid crystalline rectangular-centered (RC) phase to a fluid phase in pentane mon…
Defect dynamics in a thin active nematic layer is studied by asymptotic matching of solutions in the defect core and the far field. The analysis is facilitated by the correspondence between the 2D nematic and complex scalar field models. Self-propulsion and topological interactions are identified as the primary drivers of the defect motion, surpassing the influence of both passive backflow and active flow induced by other defects.
Crystals melt when thermal excitations or the concentration of defects in the lattice is sufficiently high. Upon melting, the crystalline long-range order vanishes, turning the solid to a fluid. In contrast to this classical scenario of solid melting, here we demonstrate a counter-intuitive behavior of the occurrence of crystalline long-range order in an initially disordered matrix. This unusual solidification is demonstrated in a system of passive colloidal particles accommodating chemically active defects -- photocatalytic Janus particles. The observed crystallization occurs when the amount …
We report molecular simulation and experimental results for simple fluids adsorbed in activated carbon fibers (ACF), where the adsorbed phase consists of either one or two molecular layers. Our molecular simulations involve smooth pore-walls for large system sizes and a systematic system size-scaling analysis. We provide calculations of the Ginzburg parameter to monitor the self-consistency of our finite size simulation results, based on which we establish that for system sizes smaller than 60 molecular diameters, fluctuations are too large to uphold the finite size simulation results. We pres…
Efficient nutrient mixing is crucial for the survival of bacterial colonies and other living systems. This raises the question of whether the optimization of mixing through the emergence of active turbulent motion in bacterial swarms played a role in the evolution of bacterial shapes. Here, to address this question, we solve the hydrodynamic equation for active nematics coupled with an advection-diffusion equation for the nutrients. The latter models a conserved activity field and mimics the conservation of nutrients in bacterial swarms. At the interface between active and passive nematic phas…
Topological defects in active liquid crystals can be confined by introducing gradients of activity. Here, we examine the dynamical behavior of two defects confined by a sharp gradient of activity that separates an active circular region and a surrounding passive nematic material. Continuum simulations are used to explain how the interplay among energy injection into the system, hydrodynamic interactions, and frictional forces governs the dynamics of topologically required self-propelling $+1/2$ defects. Our findings are rationalized in terms of a phase diagram for the dynamical response of def…
Liquid crystals inevitably possess topological defect excitations generated through boundary conditions, applied fields or in quenches to the ordered phase. In equilibrium pairs of defects coarsen and annihilate as the uniform ground state is approached. Here we show that defects in active liquid crystals exhibit profoundly different behavior, depending on the degree of activity and its contractile or extensile character. While contractile systems enhance the annihilation dynamics of passive systems, extensile systems act to drive defects apart so that they swarm around in the manner of topolo…
Living materials at different length scales manifest active nematic features such as orientational order, nematic topological defects, and active nematic turbulence. Using numerical simulations we investigate the impact of fluid inertia on the collective pattern formation in active nematics. We show that an incremental increase in inertial effects due to reduced viscosity results in gradual melting of nematic order with an increase in topological defect density before a discontinuous transition to a vortex-condensate state. The emergent vortex-condensate state at low enough viscosities coincid…
We calculate analytically the phase diagram of a two-dimensional square crystal and its wrapped version with defects under external homogeneous stress as a function of temperature using a simple elastic lattice model that allows for defect formation. The temperature dependence turns out to be very weak. The results are relevant for recent stress experiments on carbon nanotubes. Under increasing stress, we find a crossover regime which we identify with a cracking transition that is almost independent of temperature. Furthermore, we find an almost stress-independent melting point. In addition, w…
