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Accelerated design of high-performance Mg-Mn-based magnesium alloys based on novel bayesian optimization

Journal of Magnesium and Alloys 2024年第2期12卷 750-766页

作者： Xiaoxi Mi Lili Dai Xuerui Jing Jia She Bjørn Holmedal Aitao Tang fusheng Pan College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Southwest Technology and Engineering Research Institute Chongqing 400039China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China Department of Materials Science and Engineering Norwegian University of Science and Technology(NTNU)Trondheim 7051Norway

Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial utilization.With the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg alloys.This paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought alloys.RBOALM employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy combinations.This model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design process.Leveraging RBOALM,several new high-performance alloys have been successfully designed and prepared.Notably,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture elongation.Furthermore,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation.

关键词： Mg-Mn-based alloys High-performance Alloy design Machine learning Bayesian optimization

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Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

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Defence Technology（防务技术） 2024年第3期33卷 613-620页

作者： Hongliang Kang Xue Yang Wenshuo Yuan Lei Yang Xinghan Li fusheng Liu Zhengtang Liu Qijun Liu Bond and Band Engineering Group School of Physical Science and TechnologySouthwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China

By combination of the transient Raman spectroscopic measurement and the density functional theoretical calculations,the structural evolution and stability of TATB under shock compression was investigated.Due to the improvement in synchronization control between two-stage light gas gun and the transient Raman spectra acquisition,as well as the sample preparation,the Raman peak of the N-O mode of TATB was firstly observed under shock pressure up to 13.6 GPa,noticeably higher than the upper limit of 8.5 GPa reported in available literatures.By taking into account of the continuous shift of the main peak and other observed Raman peaks,we did not distinguish any structural transition or any new species.Moreover,both the present Raman spectra and the time-resolved radiation of TATB during shock loading showed that TATB exhibits higher chemical stability than previous declaration.To reveal the detailed structural response and evolution of TATB under compression,the density functional theoretical calculations were conducted,and it was found that the pressure make N-O bond lengths shorter,nitro bond angles larger,and intermolecular and intra-molecular hydrogen bond interactions enhanced.The observed red shift of Raman peak was ascribed to the abnormal enhancement of H-bound effect on the scissor vibration mode of the nitro group.

关键词： TATB Raman spectra Structural evolution Shock loading

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A hybrid nickel/iron-pyromellitic acid electrocatalyst for oxygen evolution reaction

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Nano Research 2024年第4期17卷 2481-2491页

作者： Guoqi Li Lin Li Wenlong Li fusheng Li Chunze Yuan Nian Zhang Hui Zhang Tsu-Chien Weng School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China State Key Lab of Fine Chemicals Institute of Artificial PhotosynthesisDUT-KTH Joint Education and Research Center on Molecular DevicesDalian University of Technology(DUT)Dalian 116024China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China

The migration of protons during the oxygen evolution reaction(OER)is a key factor that affects the performance of OER catalysts.To enhance proton transportation,we designed a catalyst based on nickel/iron-pyromellitic acid(NiFe-PMA)prepared by the electrochemical deposition method.This catalyst exhibited a low overpotential of 188 mV at a current density of 10 mA·cm^(-2),a Tafel slope of 28.2 mV·dec^(-1),and long-term stability for 30 days with a current of 50 mA·cm^(-2).We characterized the NiFe-PMA catalyst using various techniques,including Fourier transform infrared(FTIR)spectroscopy,Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),X-ray absorption spectroscopy(XAS),transmission electron microscopy(TEM),scanning electron microscopy(SEM),and inductively coupled plasma-optical emission spectrometry(ICP-OES).Our results showed that NiFe-PMA contains nickel,iron atoms,and both coordinated and uncoordinated carboxylate groups.Additionally,XPS data confirmed that carboxylate ligands could adjust the outer electronic structure of metal ions,resulting in the high valence state of Ni in NiFe-PMA.The result of XAS indicated that the nickel atoms present in the catalyst might be easier to maintain a higher chemical state.Further investigations using kinetic isotope effects(KIEs)and proton inventory revealed that the uncoordinated carboxylic protons played a crucial role in receiving protons during the OER,which promoted the proton transfer of the rate-determining step of the OER.Our novel electrocatalysts provide a new strategy for designing more active and cost-effective catalysts for the OER.

关键词： nickel/iron-pyromellitic acid oxygen evolution reaction kinetic isotope effects

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Coupling of Adhesion and Anti‑Freezing Properties in Hydrogel Electrolytes for Low‑Temperature Aqueous‑Based Hybrid Capacitors

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Nano-Micro Letters 2024年第2期16卷 15-31页

作者： Jingya Nan Yue Sun fusheng Yang Yijing Zhang Yuxi Li Zihao Wang Chuchu Wang Dingkun Wang Fuxiang Chu Chunpeng Wang Tianyu Zhu Jianchun Jiang Institute of Chemical Industry of Forest Products Chinese Academy of ForestryKey Laboratory of Biomass Energy and MaterialJiangsu ProvinceNanjing 210042JiangsuPeople’s Republic of China Co‑Innovation Center of Efficient Processing and Utilization of Forest Resources Nanjing Forestry UniversityNanjing 210037JiangsuPeople’s Republic of China Energy Technologies Area Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Materials Science and Engineering Clemson UniversityClemsonSC 29634USA

Solid-state zinc-ion capacitors are emerging as promising candidates for large-scale energy storage owing to improved safety,mechanical and thermal stability and easy-to-direct stacking.Hydrogel electrolytes are appealing solid-state electrolytes because of eco-friendliness,high conductivity and intrinsic flexibility.However,the electrolyte/electrode interfacial contact and anti-freezing properties of current hydrogel electrolytes are still challenging for practical applications of zinc-ion capacitors.Here,we report a class of hydrogel electrolytes that couple high interfacial adhesion and anti-freezing performance.The synergy of tough hydrogel matrix and chemical anchorage enables a well-adhered interface between hydrogel electrolyte and electrode.Meanwhile,the cooperative solvation of ZnCl2 and LiCl hybrid salts renders the hydrogel electrolyte high ionic conductivity and mechanical elasticity simultaneously at low temperatures.More significantly,the Zn||carbon nanotubes hybrid capacitor based on this hydrogel electrolyte exhibits low-temperature capacitive performance,delivering high-energy density of 39 Wh kg^(-1)at-60°C with capacity retention of 98.7%over 10,000 cycles.With the benefits of the well-adhered electrolyte/electrode interface and the anti-freezing hydrogel electrolyte,the Zn/Li hybrid capacitor is able to accommodate dynamic deformations and function well under 1000 tension cycles even at-60°C.This work provides a powerful strategy for enabling stable operation of low-temperature zinc-ion capacitors.

关键词： Interfacial adhesion Anti-freezing Hydrogel electrolytes Low-temperature hybrid capacitors Dynamic deformati

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A perspective on the key factors of safety for rechargeable magnesium batteries

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Journal of Energy Chemistry 2024年第7期94卷 656-676页

作者： Shuangshuang Tan Jie Xu Rongrui Deng Qiannan Zhao Chaohe Xu Guangsheng Huang Jingfeng Wang fusheng Pan National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China National Innovation Center for Industry-Education Integration of Energy Storage Technology College of Materials Science and EngineeringChongqing UniversityChongqing 400044China Chongqing Institute of New Energy Storage Materials and Equipment Chongqing 401135China

Rechargeable Mg batteries(RMBs)have become one of the best subsitutes for lithium-ion batteries due to the high volumetric capacity,abundant resources,and uniform plating behavior of Mg metal anode.However,the safety hazard induced by the formation of high-modulue Mg dendrites under a high current density(10 mA cm^(-1))was still revealed in recent years.It has forced researchers to re-examine the safety of RMBs.In this review,the intrinsic safety factors of key components in RMBs,such as uneven plating,pitting and flammability of Mg anode,heat release and crystalline water decomposition of cathode,strong corrosion,low oxidition stability and flammability of electrolytes,and soforth,are systematacially summarized.Their origins,formation mechanisms,and possible safety hazards are deeply discussed.To develop high-performance Mg anode,current strategies including designing artificial SEl,three-dimensional substrates,and Mg alloys are summarized.For practical electrolytes,the configurations of boron-centered anions and simple Mg salts and the functionalized solvent with high boiling point and low flammability are suggested to comprehensively design.In addition,the future study should more focus on the investigation on the thermal runaway and decomposition of cathode materials and separa-tors.This review aims to provide fundamental insights into the relationship between electrochemistry and safety,further promoting the sustainable development of RMBs.

关键词： Rechargeable Mg batteries Battery safety Mg dendrites Electrolyte decomposition Intrinsic safety issues

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The storage and utilization of carbohydrates in response to elevation mediated by tree organs in subtropical evergreen broad-leaved forests

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Forest Ecosystems 2024年第1期11卷 52-61页

作者： Bin Xu Xueli Jiang Yingying Zong G.Geoff Wang fusheng Chen Zhenyu Zhao Xiangmin Fang Key Laboratory of National Forestry and Grassland Administration on Forest Ecosystem Protection and Restoration of Poyang Lake Watershed College of ForestryJiangxi Agricultural UniversityNanchang330045China Jiulianshan National Observation and Research Station of Chinese Forest Ecosystem College of ForestryJiangxi Agricultural UniversityNanchang330045China Department of Forestry and Environmental Conservation Clemson UniversityClemsonSC29634USA

Global climate change can affect tree growth and carbon sink function by influencing plant carbohydrate synthesis and utilization,while elevation can be used as an ideal setting under natural conditions to simulate climate change effects.The effect of elevation on tree growth may depend on organ type.However,the allocation patterns of nonstructural and structural carbohydrates(NSCs and SCs,respectively)in different tree organs and their response to elevation remain unclear.We selected four dominant tree species,Schima superba,Castanopsis eyrei,Castanopsis fargesii and Michelia maudiae,along an elevation gradient from 609 to 1,207 m in subtropical evergreen broad-leaved forests and analyzed leaf,trunk,and fine root NSCs,carbon(C),nitrogen(N)and phosphorus(P)concentrations and the relative abundance of SCs.Leaf NSCs increased initially and then decreased,and trunk NSCs increased with increasing elevation.However,root NSCs decreased with increasing elevation.The relative abundance of SCs in leaves and trunks decreased,while the relative abundance of root SCs increased with increasing elevation.No significant correlations between SCs and NSCs in leaves were detected,while there were negative correlations between SCs and NSCs in trunks,roots,and all organs.Hierarchical partitioning analysis indicated that plant C/N and C/P were the main predictors of changes in SCs and NSCs.Our results suggest that tree organs have divergent responses to elevation and that increasing elevation will inhibit the aboveground part growth and enhance the root growth of trees.A tradeoff between the C distribution used for growth and storage was confirmed along the elevation gradient,which is mainly manifested in the"sink"organs of NSCs.Our results provide insight into tree growth in the context of global climate change scenarios in subtropical forest ecosystems.

关键词： Nonstructural carbohydrates Structural carbohydrates Elevation Subtropical evergreen broad-leaved forests Tree organs

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Progress and prospects of Mg-based amorphous alloys in azo dye wastewater treatment

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Journal of Magnesium and Alloys 2024年第3期12卷 873-889页

作者： Yanan Chen Fengchun Chen Liang Li Chen Su Bo Song Hongju Zhang Shengfeng Guo fusheng Pan School of Materials and Energy Southwest UniversityChongqing 400715China Analytical and Testing Center Southwest UniversityChongqing 400715China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China

Mg-based amorphous alloys exhibit efficient catalytic performance and excellent biocompatibility with a promising application probability,specifically in the field of azo dye wastewater degradation.However,the problems like difficulty in preparation and poor cycling stability need to be solved.At present,Mg-based amorphous alloys applied in wastewater degradation are available in powder and ribbon.The amorphous alloy powder fabricated by ball milling has a high specific surface area,and its reactivity is thousands of times better than that of gas atomized alloy powder.But the development is limited due to the high energy consumption,difficult and costly process of powder recycling.The single roller melt-spinning method is a new manufacturing process of amorphous alloy ribbon.Compared to amorphous powder,the specific surface area of amorphous ribbon is relatively lower,therefore,it is necessary to carry out surface modification to enhance it.Dealloying is a way that can form a pore structure on the surface of the amorphous alloys,increasing the specific surface area and providing more reactive sites,which all contribute to the catalytic performance.Exploring the optimal conditions for Mg-based amorphous alloys in wastewater degradation by adjusting amorphous alloy composition,choosing suitable method to preparation and surface modification,reducing cost,expanding the pH range will advance the steps to put Mg-based amorphous alloys in industrial environments into practice.

关键词： Mg-based amorphous alloys Azo dyes Dealloying Surface modification Wastewater degradation.

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Defects and failure types of solid insulation in gas‐insulated switchgear:In situ study and case analysis

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High Voltage 2022年第1期7卷 158-164页

作者： Yunqi Xing Zhiwen Wang Lin Liu Yuan Xu Yang Yang Shan Liu fusheng zhou Shun He Chuanyang Li State Key Laboratory of Reliability and Intelligence of Electrical Equipment Hebei University of TechnologyTianjinChina Key Laboratory of Electromagnetic Field and Electrical Apparatus Reliability of Hebei Province Hebei University of TechnologyTianjinChina School of Electric Power South China University of TechnologyGuangzhouChina High Voltage Institute China Electric Power Research InstituteBeijingChina Simpson Querrey Institute Northwestern UniversityEvanstonIllinoisUSA HVDC Transmission Technology Department Globe Energy Interconnection Research InstituteBeijingChina Electric Power Research Institute China Southern Power GridGuangzhouChina High Voltage Institute Yunnan Institute of Electrical ScienceYunnanChina Institute of Material Science University of ConnecticutStorrsConnecticutUSA

The gas‐insulated switchgear(GIS)has been widely used in modern ultra‐high voltage systems.However,once it fails,its fully enclosed feature brings challenges in its diagnosis and maintenance.As the failure rate of GIS due to insulator failure has been increasing in recent years,it is necessary and important to understand the commonly existing defects presented in the insulator.First,the manufacturing process of GIS insulators is intro-duced here.The defect types commonly existing in the insulator are categorised.The failure of GIS due to insulator defects that occurred in recent years are reviewed and discussed.The content in this study is useful for engineers and scientists to study on the GIS solid insulation defects and their failure mechanisms.

关键词： (GIS) insulation solid

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Mass transfer process of peanut protein extracted by bis(2-ethylhexyl)sodium sulfosuccinate reverse micelles

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Grain & Oil Science and Technology 2024年第1期7卷 60-67页

作者： Chenxian Yang Tianci Li Tingwei Zhu Xiaojie Duan Yibao Chen Yandong Xu fusheng Chen Kunlun Liu College of Food Science and Engineering Henan University of TechnologyZhengzhouHenan 450001China

The liquid-liquid extraction method using reverse micelles can simultaneously extract lipid and protein of oilseeds,which have become increasingly popular in recent years.However,there are few studies on mass transfer processes and models,which are helpful to better control the extraction process of oils and proteins.In this paper,mass transfer process of peanut protein extracted by bis(2-ethylhexyl)sodium sulfosuccinate(AOT)/isooctane reverse micelles was investigated.The effects of stirring speed(0,70,140,and 210 r/min),temperature of extraction(30,35,40,45,and 50℃),peanut flour particle size(0.355,0.450,0.600,and 0.900 mm)and solidliquid ratio(0.010,0.0125,0.015,0.0175,and 0.020 g/mL)on extraction rate were examined.The results showed that extraction rate increased with temperature rising,particle size reduction as well as solid-liquid ratio increase respectively,while little effect of stirring speed(P>0.05)was observed.The apparent activation energy of extraction process was calculated as 10.02 kJ/mol and Arrhenius constant(A)was 1.91 by Arrhenius equation.There was a linear relationship between reaction rate constant and the square of the inverse of initial particle radius(1/r_(0)^(2))(P<0.05).This phenomenon and this shrinking core model were anastomosed.In brief,the extraction process was controlled by the diffusion of protein from the virgin zone interface of particle through the reacted zone and it was in line with the first order reaction.Mass transfer kinetics of peanut protein extracted by reverse micelles was established and it was verified by experimental results.The results provide an important theoretical guidance for industrial production of peanut protein separation and purification.

关键词： AOT reverse micelles Peanut protein Kinetics Shrinking core model Mass transfer

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Genetic Analysis of Structural Styles in the Makran Accretionary Wedge–Insight from Physical Simulations

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Journal of Ocean University of China 2024年第1期23卷 157-172页

作者： SHAO Longfei YU fusheng GONG Jianming LIAO Jing YU Zhifeng TANG Liang CHEN Jiangong WANG Yuefeng NENG Yuan School of Earth Sciences China University of PetroleumBeijing 102249China State Key Laboratory of Petroleum Resources and Processing China University of PetroleumBeijing 102249China Qingdao Institute of Marine Geology China Geological SurveyQingdao 266071China China University of Petroleum–Beijing at Karamay Karamay 834000China

The Makran accretionary wedge has the smallest subduction angle among any accretionary prism in the world. The factors controlling the spacing and morphological development of its deep thrust faults, as well as the formation mechanism of shallow normal faults, remain unclear. Meanwhile, the factors affecting the continuity of plane faults must be comprehensively discussed. Clarifying the development characteristics and deformation mechanisms of the Makran accretionary wedge is crucial to effectively guide the exploration of gas hydrate deposits in the area. This study aims to interpret seismic data to identify typical structures in the Makran accretionary wedge, including deep imbricate thrust faults, shallow and small normal faults, wedge-shaped piggyback basins, mud diapirs with fuzzy and disorderly characteristics of reflection, décollements with a northward tilt of 1° – 2°, and large seamounts. Physical simulation-based experiments are performed to comprehensively analyze the results of the plane, section, and slices of the wedge. Results reveal that the distances between and shapes of thrust faults in the deep parts of the Makran accretionary wedge are controlled by the bottom décollement. The uplift of the thrust fault-related folds and the upwelling of the mud diapirs primarily contribute to the formation of small normal faults in the shallow part of the area. The mud diapirs originate from plastic material at the bottom, while those that have developed in the area near the trench are larger. Seamounts and mud diapirs break the continuity of fault plane distribution.

关键词： Makran accretionary wedge structural styles faults distribution physical simulation

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