相关论文: Reducing Tile Complexity for the Self-Assembly of …

Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalone silicon sheet. We used the Tersoff potential that has been used with success for silicon at low temperatures. However, the melting…

Self-closing assembly is prone to polymorphism due to thermally-excited bending fluctuations, which permit the formation of off-target assemblies at the point of self-closure. One way to overcome this source of polymorphism is to use…

In this paper we show that passive self-assembly in the context of the tile self-assembly model is capable of performing fuel efficient, universal computation. The tile self-assembly model is a premiere model of self-assembly in which…

Glycine on Cu(001) is used as an example to illustrate the critical role of molecular polarity and finite temperature effect in self-assembly of biomolecules at a metal surface. A unified picture for glycine self-assembly on Cu(001) is…

We consider a quantum system of fixed size consisting of a regular chain of $n$-level subsystems, where $n$ is finite. Forming groups of $N$ subsystems each, we show that the strength of interaction between the groups scales with $N^{-…

Tile-based self-assembly systems are capable of universal computation and algorithmically-directed growth. Systems capable of such behavior typically make use of "glue cooperation" in which the glues on at least $2$ sides of a tile must…

In this work we consider the inverse problem of finding guiding pattern shapes that result in desired self-assembly morphologies of block copolymer melts. Specifically, we model polymer self-assembly using Self-Consistent Field Theory and…

We employ adaptive mesh refinement, implicit time stepping, a nonlinear multigrid solver and parallel computation, to solve a multi-scale, time dependent, three dimensional, nonlinear set of coupled partial differential equations for three…

We explore the use of templated self-assembly to facilitate the formation of complex target structures made from patchy particles. First, we consider the templating of high-symmetry shell structures around a spherical core particle. We find…

The regular polyhedra have the highest order of 3D symmetries and are exceptionally at- tractive templates for (self)-assembly using minimal types of building blocks, from nano-cages and virus capsids to large scale constructions like glass…

We consider the thermal softening of crystals due to anharmonicity. Self-consistent methods find a maximum temperature for a stable crystal, which gives an upper bound to the melting temperature. Previous workers have shown that the…

We propose a new global optimization method ({\em Simulated Tempering}) for simulating effectively a system with a rough free energy landscape (i.e. many coexisting states) at finite non-zero temperature. This method is related to simulated…

Microstructural geometry plays a critical role in the response of heterogeneous materials. Consequently, methods for generating microstructural samples are increasingly crucial to advanced numerical analyses. We extend Sonon et al.'s…

Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionality rises from their internal structure and molecular arrangement. The key microscopic features that control…

In this paper, we introduce a new way to estimate the scaling parameter of a self-similar process by considering the maximum probability density function (pdf) of tis increments. We prove this for $H$-self-similar processes in general and…

A model for a monolayer of two types of particles spontaneously forming ordered patterns is studied by a mesoscopic theory and by MC simulations. We assume hard-cores of the same size for both components, short-range attraction long-range…

Thermal comfort in shared spaces is essential to occupants well-being and necessary in the management of energy consumption. Existing thermal control systems for indoor shared spaces adjust temperature set points mechanically, making it…

Recent progress in the synthesis and processing of nano-structured materials and systems calls for an improved understanding of thermal properties on small length scales. In this context, the question whether thermodynamics and, in…

We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…

We study the scaling and universal behavior of temperature-driven first-order phase transitions in scalar models. These transitions are found to exhibit rich phenomena, though they are controlled by a single complex-conjugate pair of the…