Melting in two spatial dimensions, as realized in thin films or at interfaces, represents one of the most fascinating phase transitions in nature, but it remains poorly understood. Even for the fundamental hard-disk model, the melting mechanism has not been agreed on after fifty years of studies. A recent Monte Carlo algorithm allows us to thermalize systems large enough to access the thermodynamic regime. We show that melting in hard disks proceeds in two steps with a liquid phase, a hexatic phase, and a solid. The hexatic-solid transition is continuous while, surprisingly, the liquid-hexatic transition is of first-order. This melting scenario solves one of the fundamental statistical-physics models, which is at the root of a large body of theoretical, computational and experimental research.
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 find that both continuous and discontinuous hexatic-liquid transitions can happen in the melting of two-dimensional solids of soft-core disks. For three typical model systems, Hertzian, harmonic, and Gaussian-core models, we observe the same scenarios. These systems exhibit reentrant crystallization (melting) with a maximum melting temperature $T_m$ happening at a crossover density $ρ_m$. The hexatic-liquid transition at a density smaller than $ρ_m$ is discontinuous. Liquid and hexatic phases coexist in a density interval, which becomes narrower with increasing temperature and tends to vani…
Two-dimensional systems may admit a hexatic phase and hexatic-liquid transitions of different natures. The determination of their phase diagrams proved challenging, and indeed those of hard-disks, hard regular polygons, and inverse power-law potentials, have been only recently clarified. In this context, the role of attractive forces is currently speculative, despite their prevalence at both the molecular and colloidal scale. Here we demonstrate, via numerical simulations, that attraction promotes a discontinuous melting scenario with no hexatic phase. At high-temperature, Lennard-Jones partic…
Despite about forty years of investigations, the nature of the melting transition in two dimensions is not completely clear. In the framework of the most popular Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) theory, 2D systems melt through two continuous Berezinskii-Kosterlitz-Thouless (BKT) transitions with intermediate hexatic phase. The conventional first-order transition is also possible. On the other hand, recently on the basis of computer simulations the new melting scenario was proposed with continuous BKT type solid-hexatic transition and first order hexatic-liquid tra…
The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these particles deform as stressed by their neighbors, which implies that the interparticle interaction becomes of many-body type. Investigating a two-dimensional model of cell tissue, where the single particle shear modulus is related to the cell adhesion strength, here we show that the particle deformability affects the melting scenario. On increasing the temperature, …
We present a molecular dynamics simulation study of the phase diagram and melting scenarios of two-dimensional Hertzian spheres with exponent 7/2. We have found multiple re-entrant melting of a single crystal with a triangular lattice in a wide range of densities from 0.5 to 10.0. Depending on the position on the phase diagram, the triangular crystal has been shown to melt through both two-stage melting with a first-order hexatic - isotropic liquid transition and a continuous solid - hexatic transition as well as in accordance with the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKT…
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.
We investigate the two-dimensional melting of deformable polymeric particles with multi-body interactions described by the Voronoi model. We report machine learning evidence for the existence of the intermediate hexatic phase in this system, and extract the critical exponent $ν\approx0.65$ for the divergence of the correlation length of the associated solid-hexatic phase transition. Moreover, we clarify the discontinuous nature of the hexatic-liquid phase transition in this system. These findings are achieved by directly analyzing system's spatial configurations with two generic machine learni…
The random disorder can drastically change the melting scenario of two-dimensional systems and has 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 potentials with two repulsive steps in which a small fraction of the particles is pinned, inducing quenched disorder. It is shown that without the quenched disorder the system with small repulsive shoulder, which is close in the shape to the soft disks, melts in accordance with the melting scenario proposed in…
Monolayer and two-dimensional (2D) systems exhibit rich phase behavior, compared with 3D systems, in particular, due to the hexatic phase playing a central role in melting scenarios. The attraction range is known to affect critical gas-liquid behavior (liquid-liquid in protein and colloidal systems), but the effect of attraction on melting in 2D systems remains unstudied systematically. Here, we reveal how the attraction range affects the phase diagrams and melting scenarios in a 2D system. Using molecular dynamics simulations we considered the generalized Lennard-Jones system with a fixed rep…
Two-stage melting induced by dislocations and grain boundaries in Monolayers of Hard Spheres
二维系统中的熔化仍然存在争议，因为理论，模拟和实验显示了对比的结果。一个问题，模糊了这一讨论是严格的二维系统的理论预测是否描述那些准二维实验系统，在平面外的波动可能会改变熔化机制。使用事件驱动的分子动力学模拟，我们发现，对于真正的2D硬盘系统观察到的连续固体-六方晶系和一阶六方晶系-液体转变的独特的两阶段熔化场景[Bernard和Krauth，Phys. Rev. Lett. 107，155704（2011）]对于具有高达颗粒直径一半的面外颗粒运动的硬球的准2D系统持续存在。通过计算重正化杨氏模量，我们表明，固体六角跃迁是Kosterlitz无位错型，并发生通过解离的束缚位错对。此外，我们发现一个一阶六方液体的转变，似乎是由自发扩散的晶界。
We present the results of a computer simulation study of the melting scenario of two-dimensional soft-disk systems with potential $U(r)=\varepsilon(σ/r)^n$, $n=12$ and $n=1024$, both in the presence of random pinning and without it. The melting parameters have been determined from analysis of the behavior of equations of state, correlation functions of the orientational and translational order parameters, Young modulus and renormalization group equations. The transition points obtained from these criteria are in good agreement. We have shown that the systems melted in two stages - first-order …
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…
Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensions, and there is already evidence that such water can behave very differently from its bulk counterpart. A striking finding has been reported from computer simulations for two-dimensionally confined water: The liquid displays continuous or discontinuous melting depending on its density. In order to…
We study numerically the role of hydrodynamics in the liquid-hexatic transition of active colloids at intermediate activity, where motility induced phase separation (MIPS) does not occur. We show that in the case of active Brownian particles (ABP), the critical density of the transition decreases upon increasing the particle's mass, enhancing ordering, while self-propulsion has the opposite effect in the activity regime considered. Active hydrodynamic particles (AHP), instead, undergo the liquid-hexatic transition at higher values of packing fraction $ϕ$ than the corresponding ABP, suggesting …
Because of long-wavelength fluctuations, the nature of solids and phase transitions in 2D are different from those in 3D systems, and have been heavily debated in past decades, in which the focus was on the existence of hexatic phase. Here, by using large scale computer simulations, we investigate the melting transition in 2D systems of polydisperse hard disks. We find that, with increasing the particle size polydispersity, the melting transition can be qualitatively changed from the recently proposed two-stage process to the Kosterlitz-Thouless-Halperin-Nelson-Young scenario with significantl…
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 computer simulations of a system of purely repulsive soft colloidal particles interacting via the Hertz potential and constrained to a two-dimensional plane. This potential describes the elastic interaction of weakly deformable bodies and can be a reliable model for qualitative description of behavior of soft macromolecules, like globular micelles and star polymers. We find a large number of ordered phases, including the dodecagonal quasicrystal, and analyze the melting scenarios of low density triangle and square phases. It is interesting that depending on the position on the phase…
The hexatic phase predicted by the theories of two-dimensional melting is characterised by the power law decay of the orientational correlations whereas the in-layer bond orientational order in all the hexatic smectic phases observed so far was found to be long-range. We report a hexatic smectic phase where the in-layer bond orientational correlations decay as $\propto r^{-1/4}$, in quantitative agreement with the hexatic ordering predicted by the theory for two dimensions. The phase was formed in a molecular dynamics simulation of a one-component system of particles interacting via a spherica…
We report results from X-ray scattering studies of the angular structure factor of liquid crystal hexatic-B films. According to the sixfold rotational symmetry of the hexatic-B phase, its characteristic scattering splits into six reflections. The shape of the radial and angular cross-sections of these reflections and their temperature evolution are analyzed. We find that over a wide temperature range of the hexatic-B phase existence the angular profiles of the in-plane X-ray scattering are well fitted by the Voigt function, which is a convolution of the Gaussian and Lorentzian functions. This …
Addressing the nature of an unexpected smectic-A' phase in liquid crystal 54COOBC films, we perform large scale Monte Carlo simulations of a coupled hexatic-nematic XY model. The resulting finite-temperature phase diagram reveals a small region with composite Potts $\mathbb{Z}_3$ order above the vortex binding transition; this phase is characterized by relative hexatic-nematic ordering though both variables are disordered. The system develops algebraic hexatic and nematic order only at a lower temperature. This multi-step melting scenario agrees well with the experimental observations of a sha…
The melting transition of two-dimensional (2D) systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. 2D systems present the opportunity for novel phases and phase transition scenarios not observed in 3D systems, but these phases depend sensitively on the system and thus predicting how any given 2D system will behave remains a challenge. Here we report a comprehensive simulation study of the phase behavior near the melting transition of all hard regular polygons with $3\leq …
Active materials, composed of internally driven particles, have properties that are qualitatively distinct from matter at thermal equilibrium. However, the most spectacular departures from equilibrium phase behaviour are thought to be confined to systems with polar or nematic asymmetry. In this paper, we show that such departures are also displayed in more symmetric phases such as hexatics if, in addition, the constituent particles have chiral asymmetry. We show that chiral active hexatics whose rotation rate does not depend on density have giant number fluctuations. If the rotation rate depen…
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…
X-ray diffraction studies of the bond-orientational order in the hexatic-B phase of 75OBC and 3(10)OBC compounds are presented. The temperature evolution of an angular profile of a single diffraction peak is analyzed. Close to the hexatic-B-smectic-A transition these profiles can be approximated by the Gaussian function. At lower temperatures in the hexatic-B phase the profiles are better fitted by the Voigt function. Theoretical analysis of the width of diffraction peaks in three-dimentional (3D) hexatics is performed on the basis of the effective Hamiltonian introduced by Aharony and Kardar.…
We report on X-ray studies of freely suspended hexatic films of three different liquid crystal compounds. By applying angular X-ray cross-correlation analysis (XCCA) to the measured diffraction patterns the parameters of the bond-orientational (BO) order in the hexatic phase were directly determined. The temperature evolution of the BO order parameters was analyzed on the basis of the multicritical scaling theory (MCST). Our results confirmed the validity of the MCST in the whole temperature range of existence of the hexatic phase for all three compounds. The temperature dependence of the BO o…
We explore the link between the melting scenarios of two-dimensional systems of hard disks and squares through replica-exchange Monte Carlo simulations of hard superdisks. The well-known melting scenarios are observed in the disk and square limits, while we observe an unusual three-step scenario for dual-shapes. We find that two mesophases mediate the melting: a hexatic phase and another fluid phase with a $D_2$ local symmetry, we call it rhombatic, where both bond and particle orientational orders are quasi-long-range. Our results show that not only can the melting process of liquid-crystal f…
The hard disc system plays a fundamental role in the study of two-dimensional matters [1-3]. High-precision compressibility data from computer simulations have been reported for all the phases and phase transition regions [4-15]. In particular, Bernard and Krauth (Phys. Rev. Lett., 107, 155704, 2011) [10] presented a complete and accurate picture of the phase transitions of the hard disc system with simulation results. However, thorough descriptions of the system depend on analytical equations of state (EoS) over the entire density range. While majority of EoS published are for the stable flui…
