The melting transition in the hard-disk system is considered. Non-equilibrium relaxation analysis of the six-fold bond-orientational order parameter has been carried out. The critical point between the hexatic and the fluid phase is determined on the basis of the dynamic scaling hypothesis. The value of the critical exponent $η$ is determined from the fluctuation of the order parameter at the criticality as $η= 0.25(2)$ which is consistent with the prediction by the Kosterlitz-Thouless-Halperin-Nelson-Young theory.
It is experimentally observed and theoretically proved that the distance between topmost layers of a metal surface has a contraction. However, well-known potentials such as Lennard-Jones and Morse potentials lead to an expansion of the surface inter-layer distance. Such simple potentials therefore cannot be used to study metal surface relaxation. In this paper, extensive Monte Carlo simulations are used to study the silver (111) surface with both the Gupta potential (GP) and the Embedded Atom Method (EAM) potential. Our results of the lattice relaxation at the (111) surface of silver show inde…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that although the surface of the cluster remains ordered up to the melting T_m, the increasing mobility of vertex and edge atoms significantly soften the surface structure, leading to inter- and intra-layer diffusion, and shrinking of the average facet size, so that the average shape of the cluster is nearly spherical at melting.
We report an experimental investigation of the transition from a hexagonally ordered solid phase to a disordered liquid in a monolayer of vibrated spheres. The transition occurs as the intensity of the vibration amplitude is increased. Measurements of the density of dislocations and the positional and orientational correlation functions show evidence for a dislocation-mediated continuous transition from a solid phase with long-range order to a liquid with only short-range order. The results show a strong similarity to simulations of melting of hard disks in equilibrium, despite the fact that t…
The thermodynamic model of ultrathin lubricant film melting, confined between two atomically-flat solid surfaces, is built using the Landau phase transition approach. Non-equilibrium entropy is introduced describing the part of thermal motion conditioned by non-equilibrium and non-homogeneous character of the thermal distribution. The equilibrium entropy changes during the time of transition of non-equilibrium entropy to the equilibrium subsystem. To describe the condition of melting, the variable of the excess volume (disorder parameter) is introduced which arises due to chaotization of a sol…
We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the melting of crystals, thus differing from the behaviour found in ordinary glasses. We rationalize these observations using the physical idea that the transformation process takes place very close to a `hidden' equilibrium first-order phase transition, which is observed in systems of coupled replicas. We illustrate our views using simulation results for a simple…
In this communication we argue that the Vortex Lattice Melting scenario fails to explain several key experimental results published in the literature. From a careful analysis of these results we conclude that the Flux Line Lattice (FLL) does not melt along a material- and sample-dependent boundary $H_j(T)$ but the opposite, it de-couples from the superconducting matrix becoming more ordered. When the FLL depinning is sharp, the difference between the equilibrium magnetization $M_{eq}(T,H)$ of the pinned and unpinned FLL leads to the observed step-like change $ΔM_{eq}(T,H)$. We demonstrate that…
The thermodynamic $H-T$ phase diagram of Bi$_2$Sr$_2$CaCu$_2$O$_8$ was mapped by measuring local \emph{equilibrium} magnetization $M(H,T)$ in presence of vortex `shaking'. Two equally sharp first-order magnetization steps are revealed in a single temperature sweep, manifesting a liquid-solid-liquid sequence. In addition, a second-order glass transition line is revealed by a sharp break in the equilibrium $M(T)$ slope. The first- and second-order lines intersect at intermediate temperatures, suggesting the existence of four phases: Bragg glass and vortex crystal at low fields, glass and liquid …
There are deep analogies between the melting dynamics in systems with a first order phase transition and the dynamics from equilibrium in super-cooled liquids. For a class of Ising spin models undergoing a first order transition - namely p-spin models on the so-called Nishimori line - it can be shown that the melting dynamics can be exactly mapped to the equilibrium dynamics. In this mapping the dynamical -or mode-coupling- glass transition corresponds to the spinodal point, while the Kauzmann transition corresponds to the first order phase transition itself. Both in mean field and finite dime…
The following properties are in the present literature associated with the behavior of super-cooled glass-forming liquids: faster than exponential growth of the relaxation time, dynamical heterogeneities, growing point-to-set correlation length, crossover from mean field behavior to activated dynamics. In this paper we argue that these properties are also present in a much simpler situation, namely the melting of the bulk of an ordered phase beyond a first order phase transition point. This is a promising path towards a better theoretical, numerical and experimental understanding of the above …
We discuss the nature of the slow relaxation processes in glass-forming eutectic melts right after melting. For specific, we focus on the binary metallic melt Al--Y, which in addition to the slow relaxation shows unusual non-monotonic dynamics. We argue this slow dynamics is an result of non-linearity of diffusion processes in initially non-homogenous sample, and the nature of slow relaxation processes in eutectic melts after melting is similar to the nature of spinodal decomposition, when reason for the slowdown is the thermodynamic instability. To support this assertion we considered the mod…
We establish the complete phase diagram of self-propelled hard disks in two spatial dimensions from the analysis of the equation of state and the statistics of local order parameters. The equilibrium melting scenario is maintained at small activities, with coexistence between active liquid and hexatic order, followed by a proper hexatic phase and a further transition to an active solid. As activity increases, the emergence of hexatic and solid order is shifted towards higher densities. Above a critical activity and for a certain range of packing fractions, the system undergoes MIPS and demixes…
We evaluate the relaxation time to equilibrium, and especially show that it is almost independent from the system size for macroscopic isolated quantum systems. It at most polynomially depends on the system size. This estimation holds when the Hamiltonian is non-integrable, the initial deviation of the quantity of interest is of order its spectral norm, and the relaxation process is monotonic.
Motivated by the existence of remarkably ordered cluster arrays of bacteria colonies growing in Petri dishes and related problems, we study the spontaneous emergence of clustering and patterns in a simple nonequilibrium system: the individual-based interacting Brownian bug model. We map this discrete model into a continuous Langevin equation which is the starting point for our extensive numerical analyses. For the two-dimensional case we report on the spontaneous generation of localized clusters of activity as well as a melting/freezing transition from a disordered or isotropic phase to an ord…
A quantum mechanical explanation of the relaxation to equilibrium is shown for macroscopic systems for nonintegrable cases and numerically verified. The macroscopic system is initially in an equilibrium state, subsequently externally perturbed during a finite time, and then isolated for a sufficiently long time. We show a quantitative explanation that the initial microcanonical state typically reaches to a state whose expectation values are well-approximated by the average over another microcanonical ensemble.
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill-defined. Here we draw a connection between the atomistic description of a diffuse solid- liquid interface and its thermodynamic characterization. This framework resolves the ambiguities in defining the solid-liquid interfacial free energy above and below the melting temperature. In …
The stability of a discrete time crystal against thermal fluctuations has been studied numerically by solving a stochastic Landau-Lifshitz-Gilbert equation of a periodically-driven classical system composed of interacting spins, each of which couples to a thermal bath. It is shown that in the thermodynamic limit, even though the long-range temporary crystalline order is stable at low temperature, it is melting above a critical temperature, at which the system experiences a non-equilibrium phase transition. The critical behaviors of the continuous phase transition have been systematically inves…
A number of crystal structures of water have been `superheated' in Monte Carlo simulations. Two well known models for water were considered; namely the TIP4P model and the SPC/E model. By comparing the fluid-solid coexistence temperature to the temperature at which the solid becomes mechanically unstable and melts it is possible to determine the typical range of temperatures over which is possible to superheat the ice phases in conventional simulation studies. It is found that the ice phases can be superheated to approximately 90K beyond the fluid-solid coexistence temperature. Beyond this lim…
We study the off-equilibrium relaxational dynamics at criticality in the three-dimensional Blume-Capel model whose static critical behaviour belongs to the 3d-Ising universality class. Using "improved" Hamiltonian (the leading corrections to scaling have vanishing amplitude) we perform Monte Carlo simulations of the relaxational dynamics after a quench from $T=\infty$ to $T_c$. Analysing the off-equilibrium dynamics at $T_c$ we obtain an estimate of the dynamical critical exponent $z=2.020(8)$ that is perfectly consistent with the Field Theory predictions.
We constructed a model that evolved from a non-equilibrium state to an equilibrium state. The model only needs two basic coefficients, including self-similar coefficients and non-equilibrium coefficients. The coefficients of the model can be obtained directly from real data. The model can well represent the phenomena of anomalous diffusion, non-Gaussian distribution and so on in non-equilibrium complex systems. It is important to mention that the model is a global iterative model that can exhibit statistical physical properties on multiple time scales, as well as exhibiting long-term memory pr…
We present the first analytic study of finite-size effects on critical diffusion above and below T_c of three-dimensional Ising-like systems whose order parameter is coupled to a conserved density. We also calculate the finite-size relaxation time that governs the critical order-parameter relaxation towards a metastable equilibrium state below T_c. Two new universal dynamic amplitude ratios at T_c are predicted and quantitative predictions of dynamic finite-size scaling functions are given that can be tested by Monte-Carlo simulations.
Within the framework of Lorentz model for description of viscoelastic medium the influence of deformational defect of the shear modulus is studied on melting of ultrathin lubricant film confined between the atomically flat solid surfaces. The possibility of jump-like and continuous melting is shown. Three modes of lubricant behavior are found, which correspond to the zero shear stress, the Hooke section of loading diagram, and the domain of plastic flow. Transition between these modes can take place according to mechanisms of first-order and second-order phase transitions. Hysteresis of depend…
We employ Monte Carlo simulations to study the non-equilibrium relaxation of driven Ising lattice gases in two dimensions. Whereas the temporal scaling of the density auto-correlation function in the non-equilibrium steady state does not allow a precise measurement of the critical exponents, these can be accurately determined from the aging scaling of the two-time auto-correlations and the order parameter evolution following a quench to the critical point. We obtain excellent agreement with renormalization group predictions based on the standard Langevin representation of driven Ising lattice …
Nonequilibrium relaxation behaviors in the Ising model on a square lattice based on the Wolff algorithm are totally different from those based on local-update algorithms. In particular, the critical relaxation is described by the stretched-exponential decay. We propose a novel scaling procedure to connect nonequilibrium and equilibrium behaviors continuously, and find that the stretched-exponential scaling region in the Wolff algorithm is as wide as the power-law scaling region in local-update algorithms. We also find that relaxation to the spontaneous magnetization in the ordered phase is cha…
In this contribution we show that a suitably defined nonequilibrium entropy of an N-body isolated system is not a constant of the motion in general and its variation is bounded, the bounds determined by the thermodynamic entropy, i.e., the equilibrium entropy. We define the nonequilibrium entropy as a convex functional of the set of n-particle reduced distribution functions (n=0,......., N) generalizing the Gibbs fine-grained entropy formula. Additionally, as a consequence of our microscopic analysis we find that this nonequilibrium entropy behaves as a free entropic oscillator. In the approac…
We simulate crystallization and melting with local Monte Carlo (LMC), event-chain Monte Carlo (ECMC), and with event-driven molecular dynamics (EDMD) in systems with up to one million three-dimensional hard spheres. We illustrate that our implementations of the three algorithms rigorously coincide in their equilibrium properties. We then study nucleation in the NVE ensemble from the fcc crystal into the homogeneous liquid phase and from the liquid into the homogeneous crystal. ECMC and EDMD both approach equilibrium orders of magnitude faster than LMC. ECMC is also notably faster than EDMD, es…
The features of alternative approach of non-equilibrium evolution thermodynamics are shown on the example of theory of vacancies by opposed to the classic prototype of Landau theory. On this foundation a strict theory of the melting of metals, based on development of Frenkel ideas about the vacancy mechanism of such phenomena, is considered. The phenomenon of melting is able to be described as a discontinuous phase transition, while the traditional Frenkel's solution in the region of low-concentration of vacancies can describe such transition only as continuous one. The problem of limiting tra…
We study the oxygen doping dependence of the equilibrium first-order melting and second-order glass transitions of vortices in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$. Doping affects both anisotropy and disorder. Anisotropy scaling is shown to collapse the melting lines only where thermal fluctuations are dominant. Yet, in the region where disorder breaks that scaling, the glass lines are still collapsed. A quantitative fit to melting and replica symmetry breaking lines of a 2D Ginzburg-Landau model further reveals that disorder amplitude weakens with doping, but to a lesser degree than thermal fluctuat…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid transition occurs. When the melting temperature $T_c$ is approached from below, there is a proliferation of dislocation pairs and the elastic constant approaches the value predicted by the KTHNY theory. In addition, as $T_c$ is approached from above, the relaxation time increases, consistent with an approach to criticality. However, simulations fail to prod…
Systems whose potential energies consists of pieces that scale as r^-2 together with pieces that scale as r^2, show no violent relaxation to Virial equilibrium but may pulsate at considerable amplitude for ever. Despite this pulsation these systems form lattices when the non-pulsational `energy' is low, and these disintegrate as that energy is increased. The `specific heats' show the expected halving as the `solid' is gradually replaced by the `fluid' of independent particles. The forms of the lattices are described here for N ~ 20 and they become hexagonal close packed for large N. In the lar…
We investigate melting transition of DNA sequences embedded in a Langevin fluctuation-dissipation thermal bath. Torsional effects are considered by a twist angle $φ$ between neighboring base pairs stacked along the molecule backbone. Our simulation results show that the increase of twist angle translates linearly the melting temperature with a positive slope. After the so called equilibrium angle $φ_\mathrm{eq}$, the DNA chain becomes very rigid against opening and accordingly very high temperatures are required to initiate the melting process. In such cases however, the biofunctionality of DN…
An ongoing problem in the study of a classical many-body system is the characterization of its equilibrium behaviour by theory or numerical simulation. For purely repulsive particles, locating the melting line in the pressure-temperature plane can be especially hard if the interparticle potential has a softened core or contains some adjustable parameters. A method is hereby presented that yields reliable melting-curve topologies with negligible computational effort. It is obtained by combining the Lindemann melting criterion with a description of the solid phase as an elastic continuum. A numb…
The Fluctuation-Dissipation Theorem (FDT) is a powerful tool to estimate the thermal noise of physical systems in equilibrium. In general however, thermal equilibrium is an approximation, or cannot be assumed at all. A more general formulation of the FDT is then needed to describe the behavior of the fluctuations. In our experiment we study a micro-cantilever brought out-ofequilibrium by a strong heat flux generated by the absorption of the light of a laser. While the base is kept at cryogenic temperatures, the tip is heated up to the melting point, thus creating the highest temperature differ…
We examine the question of the criteria of the relaxation to the equilibrium in the hard disk dynamics. In the Event-Chain Monte Carlo, we check the displacement distributions which follows to the exponential law.
Relaxation to equilibrium after strong and collective excitation is studied, by using a Hamiltonian dynamical system of one dimensional XY model. After an excitation of a domain of $K$ elements, the excitation is concentrated to fewer elements, which are made farther away from equilibrium, and the excitation intensity increases logarithmically with $K$. Equilibrium is reached only after taking this ``roundabout'' route, with the time for relaxation diverging asymptotically as $K^γ$ with $γ\approx 4.2$.
We report the observation of the transition from an ordered solid-like phase to a disordered liquid-like phase of a lattice of spikes on a ferrofluid surface submitted to horizontal sinusoidal vibrations. The melting transition occurs for a critical spike displacement which is experimentally found to follow the Lindemann criterion, for two different lattice topologies (hexagonal and square) and over a wide range of lattice wavelengths. An intermediate hexatic-like phase between the solid and isotropic liquid phases is also observed and characterized by standard correlation functions. This diss…
The effect of polydispersity on the freezing transition of hard spheres is examined within a moment description. At low polydispersities a single fluid-to-crystal transition is recovered. With increasing polydispersity we find a density above which the crystal melts back into an amorphous phase. The range of densities over which the crystalline phase is stable shrinks with increasing polydispersity until, at a certain level of polydispersity, the crystal disappears completely from the equilibrium phase diagram. The two transitions converge to a single point which we identify as the polydispers…
Despite decades of intense study, the mechanisms underlying the extraordinary dynamics of supercooled liquids as they approach the glass transition remain, at best, mis-characterized, and at worst, misunderstood. A long standing endeavor is to understand the remarkable increase of the viscosity with supercooling. Recently, a new theory of supercooled liquids has been proposed that starts from first principles, using elementary statistical mechanics arguments, to derive a form for the viscosity that contains only a single fitting parameter in its simplest form. In this we demonstrate that this …
Starting from the second law of thermodynamics applied to an isolated system consisting of the system surrounded by an extremely large medium, we formulate a general non-equilibrium thermodynamic description of the system when it is out of equilibrium. We then apply it to study the structural relaxation in glasses and establish the phenomenology behind the concept of the fictive temperature and of the empirical Tool-Narayanaswamy equation on firmer theoretical foundation.
Ferromagnetic transition in double-exchange systems is studied by non-equilibrium relaxation technique combined with Monte Carlo calculations. Critical temperature and critical exponents are estimated from relaxation of the magnetic moment. The results are consistent with the previous Monte Carlo results in thermal equilibrium. The exponents estimated by these independent techniques suggest that the universality class of this transition is the same as that of short-range interaction models but is different from the mean-field one.
We present a dynamical description of slow relaxation processes based on the extension of Onsager's fluctuation theory to systems in local quasi-equilibrium. A non-Markovian Fokker-Planck equation for the conditional probability density is derived and from it we obtain the relaxation equation for the moments. We show that the fluctuation-dissipation theorem can be formulated in terms of the temperature of the system at local quasi-equilibrium. Our theory may be applied to a wide variety of systems undergoing slow relaxation. We discuss in particular slow dynamics in glassy systems and Brownian…
It has recently been shown that relaxation of the rotational energy of hot non-equlibrium photofragments (i) slows down significantly with the increase of their initial rotational temperature and (ii) differs dramatically from the relaxation of the equilibrium rotational energy correlation function, manifesting thereby breakdown of the linear response description [Science 311, 1907 (2006)]. We demonstrate that this phenomenon may be caused by the angular momentum dependence of rotational friction. We have developed the generalized Fokker-Planck equation whose rotational friction depends upon a…
We examine the problem of how excited populations of electrons relax after they have been excited by a pump. We include three of the most important relaxation processes: (i) impurity scattering; (ii) Coulomb scattering; and (iii) electron-phonon scattering. The relaxation of an excited population of electrons is one of the most fundamental processes measured in pump/probe experiments, but its interpretation remains under debate. We show how several common assumptions about non-equilibrium relaxation that are pervasive in the field may not hold under quite general conditions. The analysis shows…
This letter reports experimental and numerical results on particle dynamics in an out-of-equilibrium granular medium. We observed two distinct types of grain motion: the well known cage motion, during which a grain is always surrounded by the same neighbors, and low probability "jumps", during which a grain moves significantly more relative to the others. These observations are similar to the results obtained for other out-of-equilibrium systems (glasses, colloidal systems, etc.). Although such jumps are extremely rare, by inhibiting them in numerical simulations we demonstrate that they play …
Fluctuation theorems are a generalization of thermodynamics on small scales and provide the tools to characterize the fluctuations of thermodynamic quantities in non-equilibrium nanoscale systems. They are particularly important for understanding irreversibility and the second law in fundamental chemical and biological processes that are actively driven, thus operating far from thermal equilibrium. Here, we apply the framework of fluctuation theorems to investigate the important case of a system relaxing from a non-equilibrium state towards equilibrium. Using a vacuum-trapped nanoparticle, we …
The concept of a non-equilibrium interfacial tension, defined via the work required to deform the system such that the interfacial area is changed while the volume is conserved, is investigated theoretically in the context of the relaxation of an initial perturbation of a colloidal fluid towards the equilibrium state. The corresponding general formalism is derived for systems with planar symmetry and applied to fluid models of colloidal suspensions and polymer solutions. It is shown that the non-equilibrium interfacial tension is not necessarily positive, that negative non-equilibrium interfac…
Here we show that the Coulomb interaction between violations of the Bernal-Fowler rules leads to a temperature induced step-wise increase in their concentration by 6-7 orders of magnitude. This first-order phase transition is accompanied by commensurable decrease in the relaxation time and can be interpreted as melting of the hydrogen bond network. The new phase with the melted hydrogen lattice and survived oxygen one is unstable in the bulk of ice, and further drastic increase in the concentrations of oxygen interstitials and vacancies accomplishes the ice melting. The fraction of broken hydr…
We study thermal relaxation in ordered arrays of coupled nonlinear elements with external driving. We find, that our model exhibits dynamic self-organization manifested in a universal stretched-exponential form of relaxation. We identify two types of self-organization, cooperative and anti-cooperative, which lead to fast and slow relaxation, respectively. We give a qualitative explanation for the behavior of the stretched exponent in different parameter ranges. We emphasize that this is a system exhibiting stretched-exponential relaxation without explicit disorder or frustration.
In this letter we study the non-equilibrium spin dynamics in the non-integrable spin-1 XXZ chain, emerging after joining two macroscopic pure states with different magnetizations. Employing the so-called time-dependent variational principle (TDVP) we simulate the dynamics of the total magnetization in the right (left) half of the system up to times that are normally inaccessible by standard tDMRG methods. We identify three distinct phases depending on the anisotropy of the chain, corresponding to diffusive, marginally super-diffusive and insulating. We observe a transient ballistic behaviour w…
We study instabilities and relaxation to equilibrium in a long-range extension of the Fermi-Pasta-Ulam-Tsingou (FPU) oscillator chain by exciting initially the lowest Fourier mode. Localization in mode space is stronger for the long-range FPU model. This allows us to uncover the sporadic nature of instabilities, i.e., by varying initially the excitation amplitude of the lowest mode, which is the control parameter, instabilities occur in narrow amplitude intervals. Only for sufficiently large values of the amplitude, the system enters a permanently unstable regime. These findings also clarify t…
The long-time behaviour of spin-spin correlators in the slow relaxation of systems undergoing phase-ordering kinetics is studied in geometries of finite size. A phenomenological finite-size scaling ansatz is formulated and tested through the exact solution of the kinetic spherical model, quenched to below the critical temperature, in $2<d<4$ dimensions.
So far, only the energy thresholds of single discrete breathers in nonlinear Hamiltonian systems have been analytically obtained. In this work, the energy thresholds of discrete breathers in thermal equilibrium and the energy thresholds of long-lived discrete breathers which can remain after a long time relaxation are analytically estimated for nonlinear chains. These energy thresholds are size dependent. The energy thresholds of discrete breathers in thermal equilibrium are same as the previous analytical results for single discrete breathers. The energy thresholds of long-lived discrete brea…
We apply microcanonical ensemble considerations to suggest that, whenever it may thermalize, a general disorder-free many-body Hamiltonian of a typical atomic system has solid-like eigenstates at low energies and fluid-type (and gaseous, plasma) eigenstates associated with energy densities exceeding those present in the melting (and, respectively, higher energy) transition(s). In particular, the lowest energy density at which the eigenstates of such a clean many body atomic system undergo a non-analytic change is that of the melting (or freezing) transition. We invoke this observation to analy…
