Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

电缆槽对电缆间串扰的影响研究

电缆在使用时一般会铺设在电缆槽中,而电缆槽对铺设其中电缆之间的串扰会形成影响.针对电缆槽中电缆之间的串扰问题,提出一种结合多端口网络理论及分块级联思想的建模方法,使用基于波导格林函数的矩量法来提取电缆槽中电缆间的分布参数,并用虚拟节点理论将提取的分布参数矩阵转化为模型中的传输函数.通过与商业电磁仿真软件的仿真结果进行对比,验证了本文的模型及算法在分析电缆槽中电缆间的串扰问题时具有较好的精确度,最后运用此方法分析了电缆处于电缆槽中不同位置时的线间串扰大小,并结合铁路现场的实际情况对电缆槽中电缆的布线方式提出了建议.     

Effect of Irradiation Absorbed Dose and Organic Solvent on the Grafting Rate of PVDF-g-PHEMA through Gamma-ray Irradiation in a Homogenous Solution

High Energy Chemistry - Modification of Polyvinylidene fluoride (PVDF) by radiation grafting is a research hotspot in recent years. In this study, the monomer 2-Hydroxyethyl methacrylate (HEMA) was...     

Functional Groups Assisted Tunable Dielectric Permittivity of Guest-Free Zn-Based Coordination Polymers for Gate Dielectrics

The dielectric properties of coordination polymers has been a topic of recent interest, but the role of different functional groups on the dielectric properties of these polymers has not yet been fully addressed. Herein, the effects of electron-donating (R=NH₂) and electron-withdrawing (R=NO₂) groups on the dielectric behavior of such materials were investigated for two thermally stable and guest-free Zn-based coordination polymers, [Zn(L₁)(L₂)]_n ( 1 ) and [Zn(L₁)(L₃)]_n ( 2 ) [L₁=2-(2-pyridyl) benzimidazole (Pbim), L₂=5-aminoisophthalate (Aip), and L₃=5-nitroisophthalate (Nip)]. The results of dielectric studies of 1 revealed that it possesses a high dielectric constant (κ=65.5 at 1 kHz), while compound 2 displayed an even higher dielectric constant (κ=110.3 at 1 kHz). The electron donating and withdrawing effects of the NH₂ and NO₂ substituents induce changes in the polarity of the polymers, which is due to the inductive effect from the aryl ring for both NO₂ and NH₂. Theoretical results from density functional theory (DFT) calculations, which also support the experimental findings, show that both compounds have a distinct electronic behavior with diverse wide bandgaps. The significance of the current work is to provide information about the structure-dielectric property relationships. So, this study promises to pave the way for further research on the effects of different functional groups on coordination polymers on their dielectric properties.     

High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

基于GA_XGBoost模型的大学生科研能力预测问题研究

科学评价大学生科研创新能力对我国科研水平的提高具有重要意义.采用机器学习模型来预测大学生科研能力可以起到良好的效果,提出一种GAXGBoost模型来实现对大学生的科研能力预测.此模型是以Xgboost算法为基础,然后充分利用遗传算法的全局搜索能力自动搜索Xgboost最优超参数,避免了人为经验调参不准确的缺陷,最后采用精英选择策略以此确保每一轮都是最佳的进化结果.通过分析表明,所采用的GAXGBoost模型在大学生科研能力预测的结果中具有很高的精度,将此模型与Logistic Regression、Random Forest、SVM等模型进行对比,GAXGBoost模型的预测精度最高.     

Developing Flexible Quinacridone-Derivatives-Based Photothermal Evaporaters for Solar Steam and Thermoelectric Power Generation

Solar-driven interfacial vaporization by localizing solar-thermal energy conversion to the air−water interface has attracted tremendous attention. In the process of converting solar energy into heat energy, photothermal materials play an essential role. Herein, a flexible solar-thermal material di-cyan substituted 5,12-dibutylquinacridone (DCN−4CQA)@Paper was developed by coating photothermal quinacridone derivatives on the cellulose paper. The DCN−4CQA@Paper combines desired chemical and physical properties, broadband light-absorbing, and shape-conforming abilities that render efficient photothermic vaporization. Notably, synergetic coupling of solar-steam and solar-electricity technologies by integrating DCN−4CQA@Paper and the thermoelectric devices is realized without trade-offs, highlighting the practical consideration toward more impactful solar heat exploitation. Such solar distillation and low-grade heat-to-electricity generation functions can provide potential opportunities for fresh water and electricity supply in off-grid or remote areas.     

基于MD-LBP关联方向特征的铁路隧道漏缆卡扣检测算法

全路段跟车拍摄隧道漏缆卡扣图像再进行逐张排查,是实现卡扣故障检测的重要手段.针对目前LBP、CS-LBP等相关变体算法存在描述子质量不佳、特征维度过高的问题,提出MD-LBP关联方向特征提取算法实现故障卡扣的检测工作.该算法首先对输入图像进行高斯滤波预处理,根据图像的全局灰度均值得到图像的自适应阈值;其次计算图像的三层MD-LBP特征图结构,依次经过两次下采样分别得到Cell主方向特征和Block主方向特征;然后再在Block特征图上提取关联方向特征,并以此作为描述子;最后通过SVM区分故障卡扣,完成检测工作.实验还对比了LBP、H OG等9种特征描述子的检测情况,结果表明该算法不仅特征维度低,并且检测故障卡扣的召回率和精准度都达到了85％.