Related papers: Quasi-Stable Structures in Equilibrium Dense Bismu…
When non-solid matter (e.g., liquids or gas) is under constant volume V and density rho (e.g., in rigid box), spatial positions for their constituents are restricted by these conditions. We recently focus on the role of constraint in…
We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
A simulation study demonstrates that localization can arise as the result of the breakdown of stable quasi-crystal-like atomic configurations. Samples produced at elevated quench rates and via more energetic processes contain a lower…
Melting is often understood in purely equilibrium terms, where crystalline order disappears once the free energy of the solid equals that of the liquid. Yet at the microscopic level, the initiating events for melting can often be traced to…
We have developed a set of numerical tools for the quantitative analysis of defect dynamics in quasiperiodic structures. We have applied these tools to study dislocation motion in the dynamical equation of Lifshitz and Petrich [Phys. Rev.…
Structures of light unstable nuclei, Li, Be, B, and C isotopes are systematically studied with a microscopic method of antisymmetrized molecular dynamics. The theoretical method is found to be very useful to study ground and excited states…
We analyze within mean-field theory as well as numerically a KPZ equation that describes nonequilibrium wetting. Both complete and critical wettitng transitions were found and characterized in detail. For one-dimensional substrates the…
We propose a model for three-dimensional solids on a mesoscopic scale with a statistical mechanical description of dislocation lines in thermal equilibrium. The model has a linearized rotational symmetry, which is broken by boundary…
We present a brief history of quasicrystals and a short introduction to classical lattice-gas models of interacting particles. We discuss stability of non-periodic tilings and one-dimensional sequences of symbols seen as ground states of…
Plaquette models are short range ferromagnetic spin models that play a key role in the dynamic facilitation approach to the liquid glass transition. In this paper we perform a rigorous study of the thermodynamic properties of two…
We present results on a series of 2D atomistic computer simulations of amorphous systems subjected to simple shear in the athermal, quasistatic limit. The athermal quasistatic trajectories are shown to separate into smooth, reversible…
We study networks of coupled bistable elastic elements, recently proposed as a model for crumpled thin sheets. The networks are poised on the verge of a localized instability, and the model allows unique access to both local and global…
Mechanically stable sphere packings are generated in three-dimensional space using the discrete element method, which span a wide range in structural order, ranging from fully amorphous to quasi-ordered structures, as characterized by the…
Semiflexible polymers are widely used as a paradigm for understanding structural phases in biomolecules including folding of proteins. Here, we compare bead-spring and bead-stick variants of coarse-grained semiflexible polymer models that…
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another materials design concept. Hexagonal-type structures based on…
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…
Quasicrystals (materials with long range order but without the usual spatial periodicity of crystals) were discovered in several soft matter systems in the last twenty years. The stability of quasicrystals has been attributed to the…
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…
Configuration interaction in many-electron atoms may cause anomalies in the fine structure which make the intervals small and very sensitive to variation of the fine structure constant. Repeated precision measurements of these intervals…