Automated chemical resonance generation and structure filtration for kinetic modeling

This work discusses efficient and automated methods for constructing a set of representative resonance structures for arbitrary chemical species, including radicals and biradicals, consisting of the elements H, C, O, N, and S. Determining the representative reactive structures of chemical species is crucial for identification of reactive sites and consequently applying the correct reaction templates to generate the set of important reactions during automated chemical kinetic model generation. We describe a fundamental set of resonance pathway types, accounting for simple resonating structures, as well as global approaches for polycyclic aromatic species. Automatically discovering potential localized structures along with filtration to identify the representative structures was shown to be robust and relatively fast. The algorithms discussed here were recently implemented in the Reaction Mechanism Generator (RMG) software. The final structures proposed by this method were found to be in reasonable agreement with quantum chemical computation results of localized structure contributions to the resonance hybrid.     

Improved third‐order weighted essentially nonoscillatory scheme

A new third‐order WENO scheme is proposed to achieve the desired order of convergence at the critical points for scalar hyperbolic equations. A new reference smoothness indicator is introduced, which satisfies the sufficient condition on the weights for the third‐order convergence. Following the truncation error analysis, we have shown that the proposed scheme achieves the desired order accurate for smooth solutions with arbitrary number of vanishing derivatives if the parameter ε satisfies certain conditions. We have made a comparative study of the proposed scheme with the existing schemes such as WENO‐JS, WENO‐Z, and WENO‐N3 through different numerical examples. The result shows that the proposed scheme (WENO‐MN3) achieves better performance than these schemes.     

L1-type smoothness indicators based weighted essentially nonoscillatory scheme for Hamilton-Jacobi equations

This article presents an improved fifth-order finite difference weighted essentially nonoscillatory (WENO) scheme to solve Hamilton-Jacobi equations. A new type of nonlinear weights is introduced with the construction of local smoothness indicators on each local stencil that are measured with the help of generalized undivided differences in L¹-norm. A novel global smoothness measurement is also constructed with the help of local measurements from its linear combination. Numerical experiments are conducted in one- and two-dimensions to demonstrate the performance enhancement, resolution power, numerical accuracy for the proposed scheme, and compared it with the classical WENO scheme.     

Analytic hierarchy process for multi-sensor data fusion based on belief function theory

Multi-sensor data fusion is an evolving technology whereby data from multiple sensor inputs are processed and combined. The data derived from multiple sensors can, however, be uncertain, imperfect, and conflicting. The present study is undertaken to help contribute to the continuous search for viable approaches to overcome the problems associated with data conflict and imperfection. Sensor readings, represented by belief functions, have to be fused according to their corresponding weights. Previous studies have often estimated the weights of sensor readings based on a single criterion. Mono-criteria approaches for the assessment of sensor reading weights are, however, often unreliable and inadequate for the reflection of reality. Accordingly, this work opts for the use of a multi-criteria decision aid. A modified Analytical Hierarchy Process (AHP) that incorporates several criteria is proposed to determine the weights of a sensor reading set. The approach relies on the automation of pairwise comparisons to eliminate subjectivity and reduce inconsistency. It assesses the weight of each sensor reading, and fuses the weighed readings obtained using a modified average combination rule. The efficiency of this approach is evaluated in a target recognition context. Several tests, sensitivity analysis, and comparisons with other approaches available in the literature are described.     

A tensor product of the Steinberg module and a certain simple kG(pr)-module

Let G be a connected, semisimple, and simply connected algebraic group defined and split over the finite field of order p, and let G(q) be the corresponding finite Chevalley or twisted group, where q = p^r. Recently, Anwar determines the direct sum decomposition of the tensor product of the rth Steinberg module and a simple G-module with a (p,r)-minuscule highest weight λ. In this paper, we determine that of the tensor product regarded as a module for G(q) under some weak assumptions for λ.     

Dynamic models of segregation†

Some segregation results from the practices of organizations, some from specialized communication systems, some from correlation with a variable that is non‐random; and some results from the interplay of individual choices. This is an abstract study of the interactive dynamics of discriminatory individual choices. One model is a simulation in which individual members of two recognizable groups distribute themselves in neighborhoods defined by reference to their own locations. A second model is analytic and deals with compartmented space. A final section applies the analytics to ‘neighborhood tipping.’ The systemic effects are found to be overwhelming: there is no simple correspondence of individual incentive to collective results. Exaggerated separation and patterning result from the dynamics of movement. Inferences about individual motives can usually not be drawn from aggregate patterns. Some unexpected phenomena, like density and vacancy, are generated. A general theory of ‘tipping’ begins to emerge.     

Recent Progress in the $L_p$ Theory for Elliptic and Parabolic Equations with Discontinuous Coefficients

In this paper, we review some results over the last 10-15 years on elliptic and parabolic equations with discontinuous coefficients. We begin with an approach given by N. V. Krylov to parabolic equations in the whole space with $\rm{VMO}_x$ coefficients. We then discuss some subsequent development including elliptic and parabolic equations with coefficients which are allowed to be merely measurable in one or two space directions, weighted $L_p$estimates with Muckenhoupt ($A_p$) weights, non-local elliptic and parabolic equations, as well as fully nonlinear elliptic and parabolic equations.     

Third‐order WENO scheme with a new smoothness indicator

In this article, we have devised a new reference smoothness indicator for third‐order weighted essentially non‐oscillatory (WENO) scheme to achieve desired order of convergence at critical points. In the context of the weighted essentially non‐oscillatory scheme, reference smoothness indicator is constructed in such a way that it satisfies the sufficient condition on the weights for the third‐order convergence. The goal is to construct a reference smoothness indicator such that the resulted scheme have to achieve the required order of accuracy even if the first two derivatives vanish but not the third derivative. The construction of such reference smoothness indicator is not possible through a linear combination of local smoothness indicators only. We have proposed a reference smoothness indicator to be of the fourth order of accuracy on three‐point stencil that contains the linear combination of the first derivative information of the local and global stencils. The performance enhancement of the WENO scheme through this reference smoothness indicator is verified through the standard numerical experiments. Numerical results indicate that the new scheme provides better results in comparison with the earlier third‐order WENO schemes like WENO‐JS and WENO‐Z. Copyright © 2017 John Wiley & Sons, Ltd.     

Commutators of weighted lipschitz functions and multilinear singular integrals with non-smooth kernels

This paper is devoted to studying the commutators of the multilinear singular integral operators with the non-smooth kernels and the weighted Lipschitz functions. Some mapping properties for two types of commutators on the weighted Lebesgue spaces, which extend and generalize some previous results, are obtained.