Related papers: Commment on "Secondary Nucleation by Interparticle…
The phase field theory of crystal nucleation described in [L. Granasy, T. Borzsonyi, T. Pusztai, Phys. Rev. Lett. 88, 206105 (2002)] is applied for nucleation in hard--sphere liquids. The exact thermodynamics from molecular dynamics is…
We present a model for molecular materials made up of polar and polarizable molecular units. A simple two state model is adopted for each molecular site and only classical intermolecular interactions are accounted for, neglecting any…
We revisit the effect of polydispersity on the crystal nucleation of hard spheres. Using event-driven molecular dynamics simulations, we obtain the nucleation rate as a function of the supersaturation for a range of polydispersities, and…
Ionic crystals, such as solid electrolytes and complex oxides, are central to modern technologies for energy storage, sensing, actuation, and other functional applications. An important fundamental issue in the atomic and quantum-scale…
Large-scale Monte Carlo simulations of a phase-separating colloid-polymer mixture are performed and compared to recent experiments. The approach is based on effective interaction potentials in which the central monomers of self-avoiding…
The studies of topological phases of matter have been extended from condensed matter physics to photonic systems, resulting in fascinating designs of robust photonic devices. Recently, higher-order topological insulators (HOTIs) have been…
A novel computational treatment of dense, stiff, coupled reaction rate equations is introduced to study the nucleation, growth, and possible coalescence of cavities during neutron irradiation of metals. Radiation damage is modeled by the…
We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and…
We construct a two-class asymmetric interacting particle system with $U_q(so_6)$ or $U_q(so_8)$ symmetry, in which up to two particles may occupy a site if the two particles have different class. The particles exhibit a drift, but there is…
In the cluster expansion framework of Bose liquids we calculate analytical expressions of the two-body, three-body and four-body diagrams contributing to the g.s. energy of an infinite system of neutral alpha-particles at zero-temperature,…
The structural and thermodynamic properties of mixtures of colloidal spheres and non-adsorbing polymer chains are studied within a novel general two-component macromolecular liquid state approach applicable for all size asymmetry ratios.…
The propagation of general electronic quantum states provides information of the interaction of molecular systems with external driving fields. These can also offer understandings regarding non-adiabatic quantum phenomena. Well established…
Two-dimensional plasma crystals are characterized by a strong up-and-down asymmetry not only due to gravity but also due to the presence of plasma flow at the location of particles. We study for the first time the interaction of a…
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…
We present an attempt to build up a new two-body effective potential for hydrogen fluoride, fitted to theoretical and experimental data relevant not only to the gas and liquid phases, but also to the crystal. The model is simple enough to…
An extensive study of single block copolymer knots containing two kinds of monomers $A$ and $B$ is presented. The knots are in a solution and their monomers are subjected to short range interactions that can be attractive or repulsive. In…
A short replay to the comment of Rossetti & Molendi (astro-ph/0702417) in answer to the paper of Fusco-Femiano, Landi & Orlandini 2007 regarding the presence of a nonthermal component in the Coma Cluster spectrum.
We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…
The cluster decays $^{228}$Th $\rightarrow \, ^{208}$Pb + $^{20}$O, $^{232}$U $\rightarrow \, ^{208}$Pb + $^{24}$Ne, $^{236}$Pu $\rightarrow \, ^{208}$Pb + $^{28}$Mg, $^{242}$Cm $\rightarrow \, ^{208}$Pb + $^{34}$Si are considered in the…
The properties of few-body clusters (mass number $A \le 4$) are modified if they are immersed in a nuclear medium. In particular, Pauli blocking that reflects the antisymmetrization of the many-body wave function is responsible for the…