Mechanoresponsive Self-Assembled Perylene Bisimide Films

In this work, self-assembled amino-acid appended perylene bisimides (PBIs) have been studied that when processed into thin films change their resistivity in response to being bent. The PBIs assemble into structures in water and form thin films upon drying. These normally delicate thin films can be tolerant to bending, depending on the aggregates they form. Furthermore, the films then reversibly change their resistivity in response to this mechanical stimulus. This change is proportional to the degree of bending of the film giving them the potential to be used quantitatively to measure mechanical movement, such as in wearable devices.     

Characterizing switch-setting problems ∗

Algebraic conditions and algorithmic procedures are given to determine whether an m × n rectangular configuration of switches can be transformed so that all switches are in the off position, regardless of initial configuration. However, when any switch is toggled, it and its rectilinearly adjacent neighbors change state. Using linear algebra, a finite field representation of the problem, and an analysis of Fibonacci polynomials, conditions on m and n are given which characterize when the m × n problem can be solved.     

An Anisotropic Sparse Grid Numerical Integration-Based Statistic Moment Estimation Method

Statistic moment estimation is a paramount task in design optimization under uncertainty. In the existing isotropic sparse grid-based statistic moment estimation method, each dimension is considered to be of equal importance and collocated with the same number of integration points. Therefore, “curse of dimensionality” is still very serious. To address this issue, a new statistic moment estimation approach is developed by employing the anisotropic sparse grid technique from the numerical integration point of view in this paper. A new rule allowing different accuracy levels to each dimension according to their varying importance is proposed to determine the eligible multi-index combinations. Integration points can be collocated more reasonably, and more points can be removed from unimportant dimensions to the important ones. The effectiveness of the proposed approach is demonstrated through comparative studies on several mathematical examples and a practical engineering example. It is observed that compared with the existing method, the proposed approach can further mitigate “curse of dimensionality” and significantly improve the accuracy of statistic moment estimation with even less computational cost.     

A Godunov‐type fractional semi‐implicit method based on staggered grid for dam‐break modeling

A semi‐implicit finite volume model based upon staggered grid is presented for solving shallow water equation. The model employs a time‐splitting scheme that uses a predictor–corrector method for the advection term. The fluxes are calculated based on a Riemann solver in the prediction step and a downwind scheme in the correction step. A simple TVD scheme is employed for shock capturing purposes in which the Minmond limiter is used for flux functions. As a consequence of using staggered grid, an ADI method is adopted for solving the discretized equations for 2‐D problems. Several 1‐D and 2‐D flows have been modeled with satisfactory results when compared with analytical and experimental test cases. The model is also capable of simulating supercritical as well as subcritical flow. Copyright © 2010 John Wiley & Sons, Ltd.     

A theoretical analysis of a new finite volume scheme for second order hyperbolic equations on general nonconforming multidimensional spatial meshes

We consider the wave equation, on a multidimensional spatial domain. The discretization of the spatial domain is performed using a general class of nonconforming meshes which has been recently studied for stationary anisotropic heterogeneous diffusion problems, see Eymard et al. (IMAJ Numer Anal 30 (2010), 1009–1043). The discretization in time is performed using a uniform mesh. We derive a new implicit finite volume scheme approximating the wave equation and we prove error estimates of the finite volume approximate solution in several norms which allow us to derive error estimates for the approximations of the exact solution and its first derivatives. We prove in particular, when the discrete flux is calculated using a stabilized discrete gradient, the convergence order is \begin{align*} h_\mathcal{D}\end{align*} (resp. k) is the mesh size of the spatial (resp. time) discretization. This estimate is valid under the regularity assumption \begin{align*}u\in C^3(\lbrack 0,T\rbrack;C^2(\overline{\Omega}))\end{align*} for the exact solution u. The proof of these error estimates is based essentially on a comparison between the finite volume approximate solution and an auxiliary finite volume approximation. © 2012 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2013     

Thermal and pH dual responsive polyurethane/2-(diisopropylamino)ethyl methacrylate hybrids: Synthesis,characterization, and swelling behavior

This article describes the synthesis and characterization of stimuli-sensitive hybrid films using 2-(diisopropylamino)ethyl methacrylate (DPA), and a polyurethane (PU) base on isophorone diisocyanate. Hybrid films with different amounts of DPA present good film and physicochemical properties. Characterization techniques such as Fourier transform infrared, UV–visible, modulate differential scanning calorimetry, and thermogravimetric analysis reveal chemical interactions between PU and DPA groups. Swelling behavior of films shows a dependence on DPA content, pH, and temperature and different mechanisms of water uptake in response to pH and temperature variations. Hybrid systems would allow controlling water absorption not only through pH or temperature but also from the chosen PU/DPA proportion.     

Numerical diffusion for flow‐aligned unstructured grids with application to estuarine modeling

The benefits of unstructured grids in hydrodynamic models are well understood but in many cases lead to greater numerical diffusion compared with methods available on structured grids. The flexible nature of unstructured grids, however, allows for the orientation of the grid to align locally with the dominant flow direction and thus decrease numerical diffusion. We investigate the relationship between grid alignment and diffusive errors in the context of scalar transport in a triangular, unstructured, 3‐D hydrodynamic code. Analytical results are presented for the 2‐D anisotropic numerical diffusion tensor and verified against idealized simulations. Results from two physically realistic estuarine simulations, differing only in grid alignment, show significant changes in gradients of salinity. Changes in scalar gradients are reflective of reduced numerical diffusion interacting with the complex 3‐D structure of the transporting flow. We also describe a method for utilizing flow fields from an unaligned grid to generate a flow‐aligned grid with minimal supervision. Copyright © 2013 John Wiley & Sons, Ltd.     

Hybrid grid generation for viscous flow analysis

Cartesian grid with cut‐cell method has drawn attention of CFD researchers owing to its simplicity. However, it suffers from the accuracy near the boundary of objects especially when applied to viscous flow analysis. Hybrid grid consisting of Cartesian grid in the background, body‐fitted layer near the object, and transition layer connecting the two is an interesting alternative. In this paper, we propose a robust method to generate hybrid grid in two‐dimensional (2D) and three‐dimensional (3D) space for viscous flow analysis. In the first step, body‐fitted layer made of quadrangles (in 2D) or prisms (in 3D) is created near the object's boundary by extruding front nodes with a speed function depending on the minimum normal curvature obtained by quadric surface fitting. To solve global interferences effectively, a level set method is used to find candidates of colliding cells. Then, axis‐aligned Cartesian grid (quadtree in 2D or octree in 3D) is filled in the rest of the domain. Finally, the gap between body‐fitted layer and Cartesian grid is connected by transition layer composed of triangles (in 2D) or tetrahedrons (in 3D). Mesh in transition layer is initially generated by constrained Delaunay triangulation from sampled points based on size function and is further optimized to provide smooth connection. Our approach to automatic hybrid grid generation has been tested with many models including complex geometry and multi‐body cases, showing robust results in reasonable time. Copyright © 2012 John Wiley & Sons, Ltd.     

Development of new finite volume schemes on unstructured triangular grid for simulating the gas–liquid two‐phase flow

This paper presents a coupled finite volume inner doubly iterative efficient algorithm for linked equations (IDEAL) with level set method to simulate the incompressible gas–liquid two‐phase flows with moving interfaces on unstructured triangular grid. The finite volume IDEAL method on a collocated grid is employed to solve the incompressible two‐phase Navier–Stokes equations, and the level set method is used to capture the moving interfaces. For the sake of mass conservation, an effective second‐order accurate finite volume scheme is developed to solve the level set equation on triangular grid, which can be implemented much easier than the classical high‐order level set solvers. In this scheme, the value of level set function on the boundary of control volume is approximated using a linear combination of a high‐order Larangian interpolation and a second‐order upwind interpolation. By the rotating slotted disk and stretching and shrinking of a circular fluid element benchmark cases, the mass conservation and accuracy of the new scheme is verified. Then the coupled method is applied to two‐phase flows, including a 2D bubble rising problem and a 2D dam breaking problem. The computational results agree well with those reported in literatures and experimental data. Copyright © 2015 John Wiley & Sons, Ltd.     

Dynamic parallel Galerkin domain decomposition procedures with grid modification for parabolic equation

Dynamic parallel Galerkin domain decomposition procedures with grid modification for semi‐linear parabolic equation are given. These procedures allow one to apply different domain decompositions, different grids, and interpolation polynomials on the sub‐domains at different time levels when necessary, in order to capture time‐changing localized phenomena, such as, propagating fronts or moving layers. They rely on an implicit Galerkin method in the sub‐domains and simple explicit flux calculation on the inter‐domain boundaries by integral mean method to predict the inner‐boundary conditions. Thus, the parallelism can be achieved by these procedures. These procedures are conservative both in the sub‐domains and across inter‐boundaries. The explicit nature of the flux prediction induces a time step limitation that is necessary to preserve stability, but this constraint is less severe than that for a fully explicit method. Stability and convergence analysis in L²‐norm are derived for these procedures. The experimental results are presented to confirm the theoretical results. Copyright © 2010 John Wiley & Sons, Ltd.