Binuclear cyclopentadienylcobalt sulfur and phosphinidene complexes Cp2Co2E2 (E = S, PX): Comparison with their Iron carbonyl analogues

Density functional theory studies on a series of Cp₂Co₂E₂ derivatives (E = S and PX; X = H, Cl, OH, OMe, NH₂, NMe₂) predict global minimum butterfly structures with one Co-Co bond for the “body” of the butterfly and four Co-E bonds at the edges of the “wings” of the butterfly. Tetrahedrane structures with both Co-Co and E-E bonds are higher in energy for Cp₂Co₂S₂ and Cp₂Co₂(PH)₂ and are not found in the other systems. This differs from the corresponding Fe₂(CO)₆S₂ and Fe₂(CO)₆(PX)₂ derivatives where tetrahedrane structures are predicted to be the lowest energy structures for all cases except X = NR₂ and OH and such a tetrahedrane structure is found experimentally for Fe₂(CO)₆S₂. The butterfly structures for the Cp₂Co₂E₂ derivatives are of two types. For Cp₂Co₂(PX)₂ (X = H, OH, OMe, NH₂, NMe₂) the lowest energy structures are unsymmetrical butterflies Cp₂Co₂(P)(PX₂) with two X groups on one phosphorus atom and a lone pair on the other (naked) phosphorus atom. Related low-energy unsymmetrical butterfly Fe₂(CO)₆(P)(PX₂) structures, not observed in previous theoretical studies, are now found for the corresponding Fe₂(CO)₆(PX)₂ derivatives. Symmetrical butterfly singlet diradical structures with one X group on each phosphorus atom in relative cis or trans positions are also found for the Cp₂Co₂(PX)₂ derivatives and are the global minima for Cp₂Co₂(PCl)₂ as well as Cp₂Co₂S₂. In all cases the cis structures are of lower energy than the corresponding trans structures. Rhombus structures having neither Co-Co nor E-E bonds are also found for all of the Cp₂Co₂(PX)₂ derivatives but always at higher energies than the butterfly structures, ranging from 17 to 29 kcal/mol above the global minima.     

Length 3 complexes of abelian sheaves and Picard 2-stacks

We define a tricategory T[−2,0] of length 3 complexes of abelian sheaves, whose hom-bigroupoids consist of weak morphisms of such complexes. We also define a 3-category 2Pic(S) of Picard 2-stacks, whose hom-2-groupoids consist of additive 2-functors. We prove that these categories are triequivalent as tricategories. As a consequence we obtain a generalization of Deligne's analogous result about Picard stacks in SGA4, Exposé XVIII (Deligne (1973) [11]).     

A moving grid finite element method applied to a model biological pattern generator

Many problems in biology involve growth. In numerical simulations it can therefore be very convenient to employ a moving computational grid on a continuously deforming domain. In this paper we present a novel application of the moving grid finite element method to compute solutions of reaction–diffusion systems in two-dimensional continuously deforming Euclidean domains. A numerical software package has been developed as a result of this research that is capable of solving generalised Turing models for morphogenesis.     

Fast algorithms for spherical harmonic expansions,III

We accelerate the computation of spherical harmonic transforms, using what is known as the butterfly scheme. This provides a convenient alternative to the approach taken in the second paper from this series on “Fast algorithms for spherical harmonic expansions”. The requisite precomputations become manageable when organized as a “depth-first traversal” of the program’s control-flow graph, rather than as the perhaps more natural “breadth-first traversal” that processes one-by-one each level of the multilevel procedure. We illustrate the results via several numerical examples.     

蝴蝶翅膀表面水滴各向异性黏附性质

采用扫描电子显微镜(SEM)观察了双带闪蝶(Morpho Achilles)翅膀表面的微观形貌, 通过样品的表观接触角表征了其浸润性, 采用高敏感性微电力学天平比较了水滴在蝴蝶翅膀表面不同方向运动时受到的黏附力. 实验结果表明, 水滴沿着干燥的蝴蝶翅膀鳞片堆叠方向运动时受到的黏附力要明显小于其它方向运动时受到的力, 且受力较稳定; 当蝴蝶翅膀被水滴浸润后, 水滴沿着湿润的蝴蝶翅膀鳞片堆叠方向运动时受到的黏附力接近甚至大于逆着鳞片堆叠方向运动时受到的力.     

An efficient representation of Benes networks and its applications

The most popular bounded-degree derivative network of the hypercube is the butterfly network. The Benes network consists of back-to-back butterflies. There exist a number of topological representations that are used to describe butterfly—like architectures. We identify a new topological representation of butterfly and Benes networks.The minimum metric dimension problem is to find a minimum set of vertices of a graph G(V,E) such that for every pair of vertices u and v of G, there exists a vertex w with the condition that the length of a shortest path from u to w is different from the length of a shortest path from v to w. It is NP-hard in the general sense. We show that it remains NP-hard for bipartite graphs. The algorithmic complexity status of this NP-hard problem is not known for butterfly and Benes networks, which are subclasses of bipartite graphs. By using the proposed new representations, we solve the minimum metric dimension problem for butterfly and Benes networks. The minimum metric dimension problem is important in areas such as robot navigation in space applications.     

Butterfly interconnection networks and their applications in Walsh-Hadamard transform-based information processing and optical computing

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Nonlinear mathematical modeling of butterfly valves driven by solenoid actuators

This paper describes high fidelity modeling and analysis of the opening and closing processes of butterfly valves driven by solenoid actuators using multiphysics models. The equations are derived and solved numerically. The variable of primary interest is the butterfly valve rotation angle. The coupled model for electromagnetics, fluid dynamics and mechanical dynamics are derived by making some simplifying assumptions. It is shown that the behavior of hydrodynamic torque plays an important role in the closing and opening processes. A discussion is presented with an explanation of the results and a comparison has been made for both the processes.