Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

Robust3D: a robust 3D face reconstruction application

In the process of reconstructing a historical event such as a rock concert only from video, the reconstruction of faces and expressions of the musicians is obviously important. However, in the process of rebuilding appearance, because of the low quality of the video of the recorded concert, the result of the reconstruction may be far from the real appearance. In this paper, a robust 3D face reconstruction application is described that can be applied to a video recording. The application first uses DeblurGAN program to run anti-ambiguity calculation and removes the ambiguity in the concert video. Then, the super-resolution program is used to enlarge every frame of the concert video by four times, thus making every frame of the video clearer. Finally, the 3D faces are obtained after 3D reconstruction of the processed video frames via the 3DMM_CNN program.

     

Theoretical investigation of solvent effects on the selective hydrogenation of furfural over Pt(111)

It was well known that solvent effect plays a very important role in the catalytic reaction. There are many theoretical studies on the solvent effect in homogeneous catalysis while there are few theoretical studies on the solvent effect in the heterogeneous catalytic reaction and there has been no work to investigate the solvent effect on furfural transformation in heterogeneous catalysis. In the present work, both the density functional calculations and the microkinetic analysis were performed to study the selective hydrogenation of furfural over Pt(111) in the presence of methanol as well as toluene and compared with that in the gas condition. The present results indicated that the methanol can enhance the adsorption strength of furfural and other oxygen-containing reaction species due to its relatively strong polarity properties and this can be a main reason for solvent-induced high activity and selectivity. Another reason is that reaction paths study showed that the presence of methanol solvent makes the dehydrogenation of furfural less thermochemical due to the fact that furfural is more stabilized than that of dehydrogenation species, and methanol also has an inhibition effect on the dehydrogenation of furfural in the kinetic aspect, and further energetic span theory proves highest activity and selectivity for hydrogenation in methanol solvent of vapor, methanol and toluene. Moreover, microkinetic model simulation demonstrated that the activity and selectivity of hydrogenation in methanol is both higher than that in vapor and toluene. The much higher activity in methanol is due to the stabilized adsorbed reactants in the surface, which leads to a higher surface coverage of furfural. It might be proposed based on the present work that a solvent with relatively strong polarity may be favorable for the high selective hydrogenation of furfural.     

A highly active composite electrocatalyst Ni–Fe–P–Nb2O5/NF for overall water splitting

This work demonstrates a facile Nb₂O₅-decorated electrocatalyst to prepare cost-effective Ni–Fe–P–Nb₂O₅/NF and compared HER & OER performance in alkaline media. The prepared electrocatalyst presented an outstanding electrocatalytic performance towards hydrogen evolution reaction, which required a quite low overpotential of 39.05 mV at the current density of ?10 mA cm^?2 in 1 M KOH electrolyte. Moreover, the Ni–Fe–P–Nb₂O₅/NF catalyst also has excellent oxygen evolution efficiency, which needs only 322 mV to reach the current density of 50 mA cm^?2. Furthermore, its electrocatalytic performance towards overall water splitting worked as both cathode and anode achieved a quite low potential of 1.56 V (10 mA cm^?2).     

采用信息增益率的混合入侵检测模型设计

针对现有混合入侵检测模型仅定性选取特征而导致检测精度较低的问题，同时为了充分结合误用检测模型和异常检测模型的优势，提出一种采用信息增益率的混合入侵检测模型.首先，利用信息增益率定量地选择特征子集，最大程度地保留样本信息；其次，采用余弦时变粒子群算法确定支持向量机参数构建误用检测模型，使其更好地平衡粒子在全局和局部的搜索能力，然后，选取灰狼算法确定单类支持向量机参数构建异常检测模型，以此来提高对最优参数的搜索效率和精细程度，综合提高混合入侵检测模型对攻击的检测效果；最后，通过两种数据集进行仿真实验，验证了所提混合入侵检测模型具有较好的检测性能.     

Recent Development of Photothermal Agents (PTAs) Based on Small Organic Molecular Dyes

Photothermal therapy (PTT) has attracted great attention due to its noninvasive and effective use against cancer. Various photothermal agents (PTAs) including organic and inorganic PTAs have been developed in the last decades. Organic PTAs based on small-molecule dyes exhibit great potential for future clinical applications considering their good biocompatibility and easy chemical modification or functionalization. In this review, we discuss the recent progress of organic PTAs based on small-molecule dyes for enhanced PTT. We summarize the strategies to improve the light penetration of PTAs, methods to enhance their photothermal conversion efficiency, how to optimize PTAs’ delivery into deep tumors, and how to resist photobleaching under repeated laser irradiation. We hope that this review can rouse the interest of researchers in the field of PTAs based on small-molecule dyes and help them to fabricate next-generation PTAs for noninvasive cancer therapy.     

Amine-containing olefin copolymer with CO2-switchable oil absorption and desorption

Global decrease in crude oil resources and frequent crude oil leaks cause the energy crisis and ecological pollution. The absorption and release of leaked crude oil through absorption materials are a necessary process for environmental protection and recycling. In this article, a CO₂-responsive olefin copolymer was obtained by copolymerization of styrene and an amine-containing olefin monomer. The structure of resultant copolymer was characterized by FTIR; thermal properties and CO₂-responsive morphology changes were determined by DSC/TGA and SEM, respectively. Copolymers had certain absorption capacity for toluene with absorption rate up to 180.0%. The absorbed toluene could be released upon CO₂ stimulation with desorption rate up to 84.6%. The CO₂-responsive copolymer could be regenerated through a simple heating process and showed stable absorption–desorption performance even after being recycled for 4 times. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47439.     

Intelligent Information‐Centric Networking routing scheme under imprecise information

Information‐Centric Networking (ICN) has been accepted to overcome some weaknesses of the current Internet architecture, showing that “what is being exchanged” is more important than “who are exchanging information.” Given the inadequate considerations on Quality of Service (QoS) and energy saving in ICN routing, we propose in this paper a routing algorithm to enhance the two aspects. At first, on one hand, Cauchy distribution is used as a fuzzy model to evaluate users' QoS requirements, such as bandwidth, delay, and error rate; on the other hand, we formulate energy saving problem to evaluate the green quality of routing algorithm. Then, we design a link selection approach by considering QoS and energy saving, which belongs to a multi‐objective decision problem resolved by intelligent drops algorithm. Finally, we implement the proposed algorithm and compare it with the famous adaptive forwarding mechanism in terms of some significant metrics, and the experimental results reveal that the proposed algorithm is more efficient.