Side chain length affects backbone dynamics in poly(3‐alkylthiophene)s

Charge transport in conjugated polymers may be governed not only by the static microstructure but also fluctuations of backbone segments. Using molecular dynamics simulations, we predict the role of side chains in the backbone dynamics for regiorandom poly(3‐alkylthiophene‐2,5‐diyl)s (P3ATs). We show that the backbone of poly(3‐dodecylthiophene‐2‐5‐diyl) (P3DDT) moves faster than that of poly(3‐hexylthiophene‐2,5‐diyl) (P3HT) as a result of the faster motion of the longer side chains. To verify our predictions, we investigated the structures and dynamics of regiorandom P3ATs with neutron scattering and solid state NMR. Measurements of spin‐lattice relaxations (T₁) using NMR support our prediction of faster motion for side chain atoms that are farther away from the backbone. Using small‐angle neutron scattering (SANS), we confirmed that regiorandom P3ATs are amorphous at about 300 K, although microphase separation between the side chains and backbones is apparent. Furthermore, quasi‐elastic neutron scattering (QENS) reveals that thiophene backbone motion is enhanced as the side chain length increases from hexyl to dodecyl. The faster motion of longer side chains leads to faster backbone dynamics, which in turn may affect charge transport for conjugated polymers. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 1193–1202     

The extended Hulburt–Hirschfelder‐long‐range oscillator model for direct‐potential‐fit analysis

In the present work, an extended Hulburt–Hirschfelder oscillator model is proposed as a means of simplifying potential energy functions for direct‐potential‐fit analyses. The new potential energy function is joined smoothly to the long‐range inverse‐power dispersion energy expression. The new model is employed in direct‐potential‐fits using spectroscopic line positions that involve the ground electronic states of the principal isotopologues of hydrogen iodide and carbon monoxide, and the ground and first singlet‐sigma excited states of hydrogen fluoride and hydrogen chloride. The present methodology is found to lead to compact, flexible, and robust representations for the potential energy that compare favorably with the results of past work where more complicated models were employed.     

The extended tanh method for solving systems of nonlinear wave equations

The extended tanh method with a computerized symbolic computation is used for constructing the traveling wave solutions of coupled nonlinear equations arising in physics. The obtained solutions include solitons, kinks and plane periodic solutions. The applied method will be used to solve the generalized coupled Hirota Satsuma KdV equation.     

导子交换子幂值的零化子条件

Let R be a prime ring with center Z(R), I a nonzero ideal of R, d a nonzero derivation of R and 0≠a∈ R. In the present paper, our object is to study the situation a[d(xk), xk]n∈ Z(R) for all x ∈ I under certain conditions, where n(≥ 1), k(≥ 1) are fixed integers.     

On Convergence of Quasi ρ-preserving Locally Related Quasi-nonexpansive Mappings

The concept of quasi-nonexpansive mappings was initiated in Diaz and Metcalf (Bull. Amer. Math. Soc. 73 (1967), 516–519), further it was generalized by Petryshyn and Williamson (Journal of Mathematical Analysis and Applications 43, no. 2 (1973): 459-497). Further investigating the above work, in this article a Banach space with a relation ρ has been considered, the notion of ρ-preserving and quasi ρ-preserving locally related quasi-nonexpansive mappings has been introduced. It has been shown that every ρ-preserving mapping is a quasi ρ-preserving and every nonexpansive mapping is locally related quasi-nonexpansive but converse may not hold. The necessary and sufficient conditions for the convergence of Picard, Mann and Ishikawa iterations of ρ-preserving, quasi ρ-preserving locally related quasi-nonexpansive mappings are presented.     

Coding‐theoretic constructions for (t,m,s)‐nets and ordered orthogonal arrays

(t,m,s)‐nets are point sets in Euclidean s‐space satisfying certain uniformity conditions, for use in numerical integration. They can be equivalently described in terms of ordered orthogonal arrays, a class of finite geometrical structures generalizing orthogonal arrays. This establishes a link between quasi‐Monte Carlo methods and coding theory. The ambient space is a metric space generalizing the Hamming space of coding theory. We denote it by NRT space (named after Niederreiter, Rosenbloom and Tsfasman). Our main results are generalizations of coding‐theoretic constructions from Hamming space to NRT space. These comprise a version of the Gilbert‐Varshamov bound, the (u,u+υ)‐construction and concatenation. We present a table of the best known parameters of q‐ary (t,m,s)‐nets for qε{2,3,4,5} and dimension m≤50. © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 403–418, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10015     

关于循环子半群的结构与数量问题及拟环的特征与结构

彻底解决了所有循环半群及其子群的结构和数量问题,并讨论了拟群分解问题,同时,对群论基本定理作了部分推广,并给出了定理的另一部分不可推广的反例,最后,建立了一类特殊环－拟环。     

Quasistatic frictional thermo‐piezoelectric contact problem

We consider here a mathematical model describing the bilateral frictional contact between a thermo‐piezoelectric body and a thermally conductive foundation. We model the behavior of the material with a linear thermo‐electro‐elastic constitutive law. The process is assumed to be quasistatic and the contact is modeled with a nonlocal version of Coulomb's dry friction law, in which the frictional heat generated in the process, is taken into account. We drive a variational formulation of the problem and establish the existence of its weak solution.     

有限多类别交通网络的扩展Wardrop均衡

研究有容量约束的交通网络中有限多类别用户的扩展Wardrop均衡.证明扩展Wardrop均衡定义的4种等价形式;并利用凸集分离定理得到在一定条件下.定义中A(v)的存在性.A(v)可以看作是一种收费,因而得到了有限多类别的交通网络中收费的存在性.