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In dense systems of hard-interacting colloidal particles having anisotropic shapes, crystallization pathways represent an interesting frontier. The translational and rotational dynamics of such particles become coupled at higher densities,…
Reduction of information entropy along with ever-increasing complexity are among the key signatures of living matter. Understanding the onset of such behavior in early prebiotic world is essential for solving the problem of origins of life.…
A binary system of classical charged particles interacting through a dipole repulsive potential and confined in a two-dimensional hardwall trap is studied by Brownian dynamics simulations. We found that the presence of small particles…
Supercooled liquids give rise, by homogeneous nucleation, to solid superclusters acting as building blocks of glass, ultrastable glass, and glacial glass phases before being crystallized. Liquid-to-liquid phase transitions begin to be…
The nucleation kinetics of the rotator phase in hard cuboctahedra, truncated octahedra, and rhombic dodecahedra is simulated via a combination of Forward Flux Sampling and Umbrella Sampling. For comparable degree of supersaturation, the…
We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…
Studies of nucleation generally focus on the properties of the critical cluster, but the presence of defects within the crystal lattice means that the population of nuclei necessarily evolve through a distribution of pre-critical clusters…
Flow of particles of two different species through a narrow channel with solely two discrete spatial positions is analyzed with respect to the species' capability to cooperate or compete for transport. In contrast to mean field approaches,…
When driven by nonequilibrium fluctuations, particle systems may display phase transitions and physical behaviour with no equilibrium counterpart. We study a two-dimensional particle model initially proposed to describe driven non-Brownian…
Entropy notions for $\varepsilon$-incremental practical stability and incremental stability of deterministic nonlinear systems under disturbances are introduced. The entropy notions are constructed via a set of points in state space which…
A novel paradigm for sorting is introduced, based upon resetting. Using simple examples, we demonstrate that sorting is achieved by resetting the velocity component(s) or orientation of the particles, rather than position. The objects to be…
Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar…
A non-Newtonian flow of a polymer melt is discussed. The description of the exponential decrease of the apparent viscosity by the well-known Eyring formula with an activation energy reduction proportional to the shear stress does not take…
Using cyclic shear to drive a two dimensional granular system, we determine the structural characteristics for different inter-particle friction coefficients. These characteristics are the result of a competition between mechanical…
The selection of an equilibrium state by maximising the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of…
Entropy and order parameter are two key concepts in phase transition theory. This paper proposes an unified method to both find order parameter and estimate entropy automatically with unsupervised learning. The contributions of this paper…
The glass transition is considered within two toys models, a mean field spin glass and a directed polymer in a correlated random potential. In the spin glass model there occurs a dynamical transition, where the system condenses in a state…
Polymer chains decorated with a fraction of monomers capable of forming reversible bonds form transient polymer networks that are important in soft and biological systems. If chains are flexible and the attractive monomers are all of the…
We compute the low-temperature configurational entropy of a two-dimensional supercooled liquid. Our method, based on a higher-dimensional version of the Grassberger--Procaccia algorithm, can be implemented in a manner that is entirely…
Strand displacement and tile assembly systems are designed to follow prescribed kinetic rules (i.e., exhibit a specific time-evolution). However, the expected behavior in the limit of infinite time--known as thermodynamic equilibrium--is…