Role of the Bridge in Photoinduced Electron Transfer in Porphyrin–Fullerene Dyads

The role of π‐conjugated molecular bridges in through‐space and through‐bond electron transfer is studied by comparing two porphyrin–fullerene donor–acceptor (D–A) dyads. One dyad, ZnP–Ph–C₆₀ (ZnP=zinc porphyrin), incorporates a phenyl bridge between D and A and behaves very similarly to analogous dyads studied previously. The second dyad, ZnP–EDOTV–C₆₀, introduces an additional 3,4‐ethylenedioxythienylvinylene (EDOTV) unit into the conjugated bridge, which increases the distance between D and A, but, at the same time, provides increased electronic communication between them. Two essential outcomes that result from the introduction of the EDOTV unit in the bridge are as follows: 1) faster charge recombination, which indicates enhanced electronic coupling between the charge‐separated and ground electronic states; and 2) the disappearance of the intramolecular exciplex, which mediates photoinduced charge separation in the ZnP–Ph–C₆₀ dyad. The latter can be interpreted as a gradual decrease in electronic coupling between locally excited singlet states of D and A when introducing the EDOTV unit into the D–A bridge.     

Flexible Structures Based on a Short Pitch Cholesteric Liquid Crystals

We report on the realization and characterization of electro-responsive and pressure sensitive polydimethylsiloxane (PDMS) conductive photonic structures combined with the reconfigurable properties of short pitch cholesteric liquid crystals (aligned in Grandjean configuration). By combining ion-implantation process and surface chemistry functionalization, we have overcome the insulating properties of PDMS and induced long range organization of cholesteric liquid crystals, thus controlling both diffraction and selective Bragg reflection of light by means of external perturbations (electric field, pressure). We have characterized our devices in terms of morphological, optical and electro-optical properties.     

Experimental and numerical investigations of bi-injection moulding of PA66/LSR peel test specimens

Bi-injection moulding is a widely used process to manufacture engineering products and consumer goods. Typically, a thermoplastic is combined with rubber or another thermoplastic to create colour differences or hard and soft areas, respectively. The aim of this study was to optimise the injection parameters and processing conditions for the moulding of two-component standard peel test specimens with suitable functional properties. In this work, all parameters of thermo-rheo-kinetic behaviour were identified to predict the entire filling stage and the effect of a liquid silicone rubber cross-linking reaction during the injection moulding process. The models of Carreau-Yasuda and Isayev-Deng regarding the thermal dependence assumed by Arrhenius’ law were used. In our study, over-injection moulding is simulated and examined using finite element software (Cadmould 3D) to investigate the thermo-rheo-kinetic behaviour and the adhesion of liquid silicone rubber during the filling mould process in over-moulding. Numerical simulation results were then compared with the experimental results, and good agreement was obtained.     

波形钢板-UHPC组合桥面板结构截面优化

对实腹式波形顶板-UHPC(超高性能混凝土)组合桥面板进行了改进, 采用空腹式结构建立波形钢板-UHPC组合桥面板有限元模型, 研究UHPC层厚度、波形钢板厚度、波形长度、下缘板宽度和波形高度等截面参数变化对组合桥面板受力特性的影响, 并确定其合理取值范围. 在此基础上, 通过理想点法对参数组合进行优化, 得到合理的参数匹配. 研究结果表明 相较于实腹式组合桥面板, 优化后的组合桥面板自重减小35%, 钢板弯折处应力减小16%; 相较于正交异性钢桥面板, 桥面板用钢量减小7%, 顶板与U肋连接位置应力减小47%.     

沙丘背风侧不同铁路结构形式对风沙环境的适应性分析

当铁路穿越大风沙漠地区时,风沙灾害会对铁路工程及其正常运营产生严重威胁,而设计一种合理的铁路结构形式能够减小风沙沉积对铁路工程的危害. 在本文中,以敦煌至格尔木铁路沙山沟段落为研究对象,采用多相流的方法对越过沙丘的风沙运动过程进行数值模拟,分别讨论了风沙运动对位于沙丘背风坡的铁路路基工程和桥梁工程的影响. 主要的模拟结果显示:路基工程明显降低了风速并且将沙丘后的回流区分成了两部分,而桥梁工程的导流效应则压缩了沙丘背风坡的回流区;轨道间的道碴增大了铁路表面的粗糙度,在轨道间有少量沙粒沉积,而路基工程两侧则有大量积沙;铁路表面的积沙量与摩阻风速呈现出非线性关系,随着摩阻风速的增大,路基工程沙粒沉积的增加速度大于风蚀能力的增加速度,而桥梁工程则正好相反. 在防止风沙危害铁路方面,设置桥梁工程明显优于路基工程. 本研究为风沙运动对铁路工程的影响提供了理论支持,也为今后的铁路工程设计提供了新的思路与研究工具.      

Emergent biaxiality in nematic microflows illuminated by a laser beam

Anisotropic fluids (e.g. liquid crystals) offer a remarkable promise as optofluidic materials owing to the directional, tunable, and coupled interactions between the material, flow, and the optical fields. Here we present a comprehensive in silico treatment of this anisotropic interaction by performing nonequilibrium molecular dynamics simulations. We quantify the response of a nematic liquid crystal (NLC) undergoing a Poiseuille flow in the Stokes regime, while being illuminated by a laser beam incident perpendicular to the flow direction. We adopt a minimalistic model to capture the interactions, accounting for two features: first, the laser heats up the NLC locally; and second, the laser polarises the NLC and exerts an optical torque that tends to reorient molecules of the nematic phase. Because of this reorientation the liquid crystal exhibits small regions of biaxiality, where the nematic director is one symmetry axis and the axis of rotation for the reorientation of the molecules is the other one. We find that the relative strength of the viscous and the optical torques mediates the flow-induced response of the biaxial regions, thereby tuning the emergence, shape and location of the regions of enhanced biaxiality. The mechanistic framework presented here promises experimentally tractable routes toward novel optofluidic applications based on material-flow-light interactions.     

Phase segregation of metastable quenched liquid mixtures and the effect of the quenching rate

The effect of the quenching rate on the phase separation of partially miscible liquid mixtures is studied, showing that it may influence the growth rate of single-phase domains. In particular, the phase separation of metastable binary mixtures in the presence of strong emulsifiers appears to be heavily retarded. These effects constitute an important limitation to the phase transition extraction process introduced by the authors in previous works, which is based on the fact that phase separation of unstable mixtures is rapid, even in the presence of surface active compounds.     

Control the self-assembly of fluorenone-based polycatenars by tuning chain length

Using Suzuki coupling reactions as key steps, a series of fluorenone-based polycatenars, consisting of a central 2,7-diphenyl-9-fluorenone core connected with the 3,4,5-trialkoxybenzoate unit via –COO- linkage at each side have been synthesized. Upon elongation of the terminal alkyl chain, these compounds self-assembled into mesophase sequence of Col_hex/p6mm - Cub_I/$\mathit{Pm}\overline{3}n$ in solid states as well as organogels with interesting morphologies varied from 3D helical fibers to spherical structures in solvents.     

Generalization of the Kelvin equation for arbitrarily curved surfaces

Capillary condensation, which takes place in confined geometries, is the first-order vapor-to-liquid phase transition and is explained by the Kelvin equation, but the equation's applicability for arbitrarily curved surface has been long debated and is severe problem. Recently, we have proposed generic dynamic equations for moving surfaces. Application of the equations to the vapor/fluid interfaces in chemical equilibrium conditions nearly trivially solves the generalization problem for the Kelvin equation. The equations are universally true for any surfaces: atomic, molecular, micro or macro scale, real or virtual, Riemannian or pseudo-Riemannian, active or passive.     

Investigations on discotic liquid crystals

ABSTRACT

Discotic liquid crystals (DLCs) have reached from curiosity to commodity in a short span of time. Tremendous development has been observed in the field of DLCs in the past few years due to their vide-viewing display and unidirectional conducting properties. In this article, I present some aspects of research carried out by me and my collaborators on DLCs. This work was presented at the Asian Conference on Liquid Crystals (ACLC 2019) at Shenzhen, China during January 17–18, 2019.