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Ionic liquids inhibit the dynamic transition fromα-helices toβ-sheets in peptides

Fundamental Research 2024年第4期4卷 777-784页

作者： Ju Liu Yanlei wang feng Huo Hongyan he Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Mesoscience and EngineeringCAS Key Laboratory of Green Process and EngineeringInstituteof Process EngineeringChineseAcademyof SciencesBeijing100190China Longzihu New Energy Laboratory Zhengzhou Institute of Emerging Industrial TechnologyHenan UniversityZhengzhou 450000China University of Chinese Academyof Sciences Beijing100049China

Abnormalities in the transition betweenα-helices andβ-sheets(α-βtransition)may lead to devastating neurodegenerative diseases,such as Parkinson's syndrome and Alzheimer's *** liquids(ILs)are potential drugs for targeted therapies against these diseases because of their excellent bioactivity and designability of ***,the mechanism through which ILs regulate the aα-βtransition remains ***,a combination of GPU-accelerated microsecond molecular dynamics simulations,correlation analysis,and machine learning was used to probe the dynamicalα-βtransition process induced by ILs of 1-alkyl-3-methylimidazolium chloride([C_(n)mim]cl)and its molecular ***,the cation of [C_(n)mim]+in ILs can spontaneously insert into the peptides as free ions(n≤10)and clusters(n≥11).Such insertion can significantly inhibit theα-β,transition and the inhibiting ability for the clusters is more significant than that of free ions,where[Ciomim]+and[C_(12)mim]+can reduce the maximumβ-sheet content of the peptide by 18.5% and 44.9%,***,the correlation analysis and machine learning method were used to develop a predictive model accounting for the influencing factors on theα-βtransition,which could accurately predict the effect of ILs on theα-β***,these quantitative results may not only deepen the understanding of the role of ILs in theα-βtransition but also guide the development of the IL-based treatments for related diseases.

关键词： α-βtransition Moleculardynamics simulation lonic liquids Machine learning Membrane channel protein

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Evaluation of suitability of university ladder classroom environment on humans

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Energy and Built Environment 2024年第4期5卷 615-627页

作者： Xin Liu Xiu Geng Kailiang Huang Guohui feng he Zhao Xiaotong wang Jianing he School of Municipal and Environment Engineering Shenyang Jianzhu UniversityShenyang 100168China Jianke EET Co. Ltd.Beijing 100013China

Evaluation of the suitability of university ladder classroom environment on humans is an effective approach to improve the quality of the indoor environment and protect human ***,there are unresolved issues regarding the suitability of university ladder classroom environment for *** example,the design of en-closure structure and heating ventilation and air conditioning(HVAC)system is unreasonable,and the indoor air quality does not meet the required *** this study,the suitability of university ladder classroom environ-ment on humans was considered the research *** evaluation indices of indoor environment were selected from indoor air quality,indoor thermal and humid environments,light environment,and sound *** the health and comfort of users were taken as the evaluation indices of *** to the results of expert investigations and case measurements,the index weight was determined by the expert-entropy weight method,and a complete evaluation system of indices was *** were two first-level,six second-level,and fourteen third-level indices in the evaluation *** evaluation indices of each level with the largest weight were indoor environment(0.5940),user health(0.2530),and indoor temperature(0.1175)*** comparing the actual learning effect to the evaluation results,the applicability of the evaluation system was *** evaluation system of the suitability of university ladder classroom environment on humans is convenient for operators to identify the weak points between humans and the *** evaluation system is endowed with important theoretical and practical significance to realize the green development of colleges and universities and build an environment-friendly campus.

关键词： Severe cold region Suitability of environment on humans Natural ventilation Expert-entropy weight method Evaluation system

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Improved genetic algorithm based on reinforcement learning for electric vehicle front-end structure optimization design

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Advances in Manufacturing 2024年第3期12卷 556-575页

作者： feng-Yao Lyu Zhen-Fei Zhan Gui-Lin Zhou Ju wang Jie Li Xin he Chongqing Jiaotong University Chongqing400074People’s Republic of China Changan Automobile Co.Ltd. Chongqing404100People’s Republic of China

The structural optimization of electric vehicles involves numerous design variables and constraints,making it a complex engineering optimization task over the past *** population-based evolutionary algorithms encounter issues such as converging to local optima and lacking population diversity when tackling such optimization ***,the solutions obtained for the optimization may be flawed or *** address these problems,an improved genetic algorithm(GA)based on reinforcement learning is proposed in this *** proposed method introduces a population delimitation method based on individual fitness *** population is divided into two parts:the excellent population and the ordinary population,and different selection and cross-mutation methods are applied to each part *** efficient crossover and mutation methods are then applied to the ordinary population to enhance the generation of excellent ***,the proposed approach replaces the traditional fixed crossover and mutation rates with a dynamic selection method based on reinforcement learning to enhance optimization efficiency.A markov decision process model is constructed based on GA environment in this *** population state determination method and reward method are designed for reinforcement learning in the GA environment,dynamically selecting the most appropriate genetic parameters based on the current state of the ***,the uncertainty in the manufacturing process is introduced into the optimization problem and the case study results demonstrate that the proposed reinforcement learning-based GA significantly outperforms other evolutionary algorithms when applied to solving the structural optimization of electric vehicles.

关键词： Structure optimization Genetic algorithm(GA) Q-learning

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Tunable quantum anomalous Hall effects in ferromagnetic van der Waals heterostructures

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National Science Review 2024年第3期11卷 100-107页

作者： feng Xue Yusheng Hou Zhe wang Zhiming Xu Ke he Ruqian Wu Yong Xu Wenhui Duan Beijing Academy of Quantum Information Sciences State Key Laboratory of Low Dimensional Quantum Physics Department of Physics Tsinghua University Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices Center for Neutron Science and Technology School of Physics Sun Yat-sen University State Key Laboratory of Surface Physics Key Laboratory of Computational Physical Sciences and Department of PhysicsFudan University Frontier Science Center for Quantum Information Department of Physics and Astronomy University of California-Irvine Tencent Quantum Laboratory Tencent Technology(Shenzhen)Co.Ltd RIKEN Center for Emergent Matter Science(CEMS) Institute for Advanced Study Tsinghua University

The quantum anomalous Hall effect（QAhe） has unique advantages in topotronic applications, but it is still challenging to realize the QAhe with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that the in-plane magnetization induced QAhe with Chern numbers C = ±1 and the out-of-plane magnetization induced QAhe with high Chern numbers C = ±3 can be realized in a single material candidate, which is composed of van der Waals（vdW）coupled Bi and MnBi2Te4monolayers. The switching between different phases of QAhe can be controlled in multiple ways, such as applying strain or（weak） magnetic field or twisting the vdW materials. The prediction of an experimentally available material system hosting robust, highly tunable QAhe will stimulate great research interest in the field. Our work opens a new avenue for the realization of tunable QAhe and provides a practical material platform for the development of topological electronics.

关键词： quantum anomalous Hall effect topological quantum phase transition van der Waals heterostructures tunable Chern number high Chern number

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Opportunities and challenges of high-entropy materials in lithium-ion batteries

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Rare Metals 2024年第10期43卷 4884-4902页

作者： Tong-Yue Xu Huai-Wei feng Wei Liu Yan wang Hong-he Zheng College of Energy&Jiangsu Key Laboratory of Advanced Negative Carbon Technologies& Collaborative Innovation Center of Suzhou Nano Science and TechnologySoochow University NARI Technology Co. Ltd.

Lithium-ion batteries(LIBs) currently occupy an important position in the energy storage market, and the development of advanced LIBs with higher energy density and power density, better cycle life and safety is a hot topic for both academia and industry. In recent years, high-entropy materials(heMs) with complex stoichiometric ratios have attracted great attention in the field of LIBs due to their various promising functional properties. The adjustability and synergistic effects of multiple elements in heMs make them possible to break through the bottleneck of traditional electrode materials and electrolytes, providing new opportunities for the development of high-performance LIBs. This article provides an overview of the opportunities and challenges of heMs in LIBs, including cathodes, anodes and electrolytes. The progress of heMs in LIBs is first summarized and analyzed, then the potential advantages and limitations of heMs used in LIBs are concluded, finally some envisioned solutions are proposed to develop more advanced LIBs through heMs.

关键词： Lithium-ion batteries

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High-temperature stability of retained austenite and plastic deformation mechanism of ultra-fine bainitic steel isothermally treated below Ms

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Journal of Iron and Steel Research International 2024年第8期31卷 2014-2030页

作者： Ting-ting he feng Hu Kun wang Wen Zhou Li Li Serhii Yershov Kai-ming Wu The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina Collaborative Innovation Center for Advanced Steels Wuhan University of Science and TechnologyWuhan 430081HubeiChina Zhejiang Tsingshan Iron and Steel Co. Ltd.Qingtian 323903ZhejiangChina

The mechanical properties of the sample and the stability of retained austenite were studied by designing two kinds of ultra-fine bainitic steel with different heat treatment methods austempering above and below Ms(martensite start tem-perature),which were subjected to tensile tests at 20 and 450℃,*** results show that compared to room temperature(20℃)tensile properties,the uniform elongation of the sample at high temperature(450℃)significantly ***,the uniform elongation of the sample austempered above Ms decreased from 8.0%to 3.5%,and the sample austempered below Ms decreased from 10.9%to 3.1%.Additionally,the tensile strength of the sample austempered above Ms significantly decreased(from 1281 to 912 MPa),and the sample austempered below Ms slightly decreased(from 1010 to 974 MPa).This was due to the high carbon content(1.60 wt.%),high mechanical stability,low thermal stability for the retained austenite of the sample austempered below ***,the retained austenite decomposed at high temper-atures,the carbon content and transformation driving force were significantly reduced,the transformation rate increased,and the phase transformation content reduced.

关键词： Ultra-fine bainite Isothermal treatment High-temperature tensile property Retained austenite stability Plastic deformation

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Urea-induced interfacial engineering enabling highly reversible aqueous zinc-ion battery

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Rare Metals 2024年第4期43卷 1599-1609页

作者： Bin-Rui Xu Quan-An Li Yong Liu Guang-Bin wang Zi-he Zhang feng-Zhang Ren School of Material Science and Engineering Henan University of Science and TechnologyLuoyang471023China School of Information Engineering Henan University of Science and TechnologyLuoyang471023China Longmen Laboratory Luoyang471023China Provincial and Ministerial Co-Construction of Collaborative Innovation Center for Non-Ferrous Metal New Materials and Advanced Processing Technology Luoyang471023China

Aqueous zinc-ion batteries(AZIBs)have been regarded as prospective rechargeable energy storage devices because of the high theoretical capacity and low redox potential of Zn ***,the uncontrollable formation of dendrites and the water-induced side reactions at the Zn/electrolyte interface,and the poor reversibility under a high current density(>2 mA·cm^(-2))and large area capacity(>2 mAh·cm^(-2))still limit the practical applications of ***,a strategy that can overcome these difficulties is urgently ***,we introduce an environmentally friendly and low-cost additive,namely urea,to the electrolyte of AZIBs to induce uniform Zn deposition and suppress the side *** of the adsorption behavior,electrochemical characterization,and observations of the morphology revealed the interfacial modification induced by urea on the Zn/electrolyte interface,demonstrating its huge potential in ***,the long-term cycling stability(over2100 h)of a Zn/Zn symmetric cell under a high current density of 5 mA·cm^(-2)and a capacity of 5 mAh·cm^(-2)was achieved with a 1 mol·L^(-1)ZnSO_(4)electrolyte with the urea ***,the assembled Zn/NH_4V_4O_(10)full cell with urea exhibited excellent cycling performance and an outstanding average Coulombic efficiency of 99.98%.These results indicate that this is a low-cost and effective additive strategy for realizing highly reversible AZIBs.

关键词： Zn anode Urea additive Interface engineering Dendrite growth Side reaction

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How can technology and efficiency alleviate the dilemma of economic growth and carbon emissions in China's industrial economy? A metafrontier decoupling decomposition analysis

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Petroleum Science 2024年第2期21卷 1415-1428页

作者： Miao wang Chao feng School of Business Zhengzhou UniversityZhengzhou450001HenanChina School of Economics and Business Administration Chongqing UniversityChongqing400030China

This paper attempts to explore the decoupling relationship and its drivers between industrial economic increase and energy-related CO_(2) emissions(ICE). Firstly, the decoupling relationship was evaluated by Tapio index. Then, based on the DEA meta-frontier theory framework which taking into account the regional and industrial heterogeneity and index decomposition method, the driving factors of decoupling process were explored mainly from the view of technology and efficiency. The results show that during2000-2019, weak decoupling was the primary state. Investment scale expansion was the largest reason hindering decoupling process of industrial increase from ICE. Both energy saving and production technology achieved significant progress, which facilitated the decoupling process. Simultaneously, the energy technology gap and production technology gap among regions have been narrowed, and played a role in promoting decoupling process. On the contrary, both scale economy efficiency and pure technical efficiency have inhibiting effects on decoupling process. The former indicates that the scale economy of China's industry was not conducive to improve energy efficiency and production efficiency, while the latter indicates that resource misallocation problem may exist in both energy market and product market.

关键词： China's industrial sector Decoupling process Meta-frontier DEA Index decomposition method Driving factors

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Corrugated Graphene Paper Reinforced Silicone Resin Composite for Efficient Interface Thermal Management

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Chinese Journal of Polymer Science 2024年第7期42卷 1002-1014,I0010页

作者： Bo-Wen wang heng Zhang Qing-Xia he Hui-Tao Yu Meng-Meng Qin Wei feng Tianjin Key Laboratory of Composite and Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjin300350China International Engineering Institute Tianjin UniversityTianjin300350China

With the rapid development of high-power-density electronic devices,interface thermal resistance has become a critical barrier for effective heat management in high-performance electronic ***,there is an urgent demand for advanced thermal interface materials(TIMs)with high cross-plane thermal conductivity and excellent compressibility to withstand increasingly complex operating *** achieve this aim,a promising strategy involves vertically arranging highly thermoconductive graphene on ***,with the currently available methods,achieving a balance between low interfacial thermal resistance,bidirectional high thermal conductivity,and large-scale production is ***,we prepared a graphene framework with continuous filler structures in in-plane and cross-plane directions by bonding corrugated graphene to planar graphene *** interface interaction between the graphene paper framework and polymer matrix was enhanced via surface functionalization to reduce the interface thermal *** resulting three-dimensional thermal framework endows the polymer composite material with a cross-plane thermal conductivity of 14.4 W·m^(-1)·K^(-1)and in-plane thermal conductivity of 130W·m^(-1)·K^(-1)when the thermal filler loading is 10.1 wt%,with a thermal conductivity enhancement per 1 wt%filler loading of 831%,outperforming various graphene structures as *** its high thermal conductivity,low contact thermal resistance,and low compressive modulus,the developed highly thermoconductive composite material demonstrates superior performance in TIM testing compared with TFLEX-700,an advanced commercial TIM,effectively solving the interfacial heat transfer issues in electronic *** novel filler structure framework also provides a solution for achieving a balance between efficient thermal management and ease of processing.

关键词： Graphene paper Vertically aligned structure Cross-plane thermal conductivity Low compressive modulus Thermal interface material

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A novel method for AFRPs burrs removal:Principle of mechanochemo-induced fiber fracture

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Chinese Journal of Aeronautics 2024年第7期37卷 522-538页

作者： Jie XU Bo LI Pingfa feng Qiang wang feng feng Division of Advanced Manufacturing Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China Department of Mechanical Engineering Tsinghua UniversityBeijing 100084China Changhe Aircraft Industry(Group)Co.Ltd Jingdezhen 333000China

Burrs generated during the machining of Aramid-Fiber-Reinforced Composites(AFRPs)pose a challenge for the production efficiency of aircraft and helicopter housing *** studies have generally attempted to suppress burrs by referring to delamination suppression *** contrast to stratification,burrs are remediable machining *** such,a mechanochemical method with burrs trimming technological strategy are implemented to effectively combat ***,we clarify the mechanism by which aramid fibers cannot be cut off using analytical and numerical *** addition,the mechanism of fiber fracture with Modified Polyurethane Reactive Polymer(M-PUR),and development of anti-burr devices(thermostatic adhesive sealed generator)are ***,the experimental results show that the reduction rate in burr length is 87%-91%through the mechanochemical *** method not only opens a new avenue to solve the burr problem of aramid fibers but also builds an interdisciplinary bridge between polymer science and composite machining.

关键词： Mechanochemical method Burrs Orthogonal cutting Aramid fiber-reinforced composites Milling

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