A method for quantitative analysis of local pattern strength and defects in surface self-assembly imaging is presented and applied to images of stripe and hexagonal ordered domains. The presented method uses "shapelet" functions which were originally developed for quantitative analysis of images of galaxies (∝ 10 20 m). In this work, they are used instead to quantify the presence of translational order in surface self-assembled films (∝ 10 −9 m) through reformulation into "steerable" filters. The resulting method is both computationally efficient (with respect to the number of filter evaluations), robust to variation in pattern feature shape, and, unlike previous approaches, is applicable to a wide variety of pattern types. An application of the method is presented which uses a nearest-neighbour analysis to distinguish between uniform (defect-free) and non-uniform (strained, defect-containing) regions within imaged self-assembled domains, both with striped and hexagonal patterns.
Although nanowire (NW) alignment has been previously investigated, minimizing limitations such as process complexity and NW breakage, as well as quantifying the quality of alignment, have not been sufficiently addressed. A simple, low cost, large-area, and versatile alignment method is reported that is applicable for NWs either grown on a substrate or synthesized in solution. Metal and semiconductor NWs with average lengths of up to 16 μm are aligned through the stretching of polyvinyl alcohol (PVA) films, which compared to other stretching methods results in superior alignment because of the large stretching ratio of PVA. Poly[oxy(methyl-1,2-ethanediyl)] is employed as lubricant to prevent NW breakage. To quantify NW alignment, a simple and effective image processing method is presented. The alignment process results in an order parameter (S) of NW alignment as high as 0.97.
A kinetic Monte Carlo (KMC) method for deposition is presented and applied to the simulation of electrodeposition of a metal on a single crystal surface of the same metal under galvanostatic conditions. This method utilizes the multi-body embedded-atom method (EAM) potential to characterize the interactions of metal atoms and adatoms. The method accounts for collective surface diffusion processes, in addition to nearest-neighbor hopping, including atom exchange and step-edge atom exchange. Steady-state deposition configurations obtained using the KMC method are validated by comparison with the structures obtained through the use of molecular dynamics (MD) simulations to relax KMC constraints. The results of this work support the use of the proposed KMC method to simulate electrodeposition processes at length (microns) and time (seconds) scales that are not feasible using other methods.
A computational study of the growth of two-dimensional nematic spherulites in an isotropic phase was performed using a Landau-de Gennes-type quadrupolar tensor order parameter model for the first-order isotropic/nematic transition of 5CB (pentylcyanobiphenyl). An energy balance, taking anisotropy into account, was derived and incorporated into the time-dependent model. Growth laws were determined for two different spherulite morphologies of the form t(n), with and without the inclusion of thermal effects. Results show that incorporation of the thermal energy balance correctly predicts the transition of the growth law exponent from the volume driven regime (n=1) to the thermally limited regime (approaching n = 1/2), agreeing well with experimental observations. An interfacial nematodynamic model is used to gain insight into the interactions that result in the progression of different spherulite growth regimes.
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