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Acta Metallurgica Sinica(English Letters) 2024年第1期37卷 181-195页

作者： Sheng Cao Hongyu Liu jin Jiang Ke He Binghua Lv Hao Zhang lujie Zhang jingrong Meng Hao Deng Xiaodong Niu Department of Mechanical Engineering College of EngineeringShantou UniversityShantou515063China China State Shipbuilding Co. Ltd.Huangpu Wenchong Shipbuilding Company Ltd.Guangzhou510715China Faculty of Materials and Manufacturing Beijing University of TechnologyBeijing100080China Shantou Ruixiang Mould Co. Ltd.Shantou515041China Military Representative Office X of Unit 93147 Deyang618000China China National Erzhong Group Co. Deyang Wanhang Die Forging Co.Ltd.Deyang618013China

This work investigated the gradient microstructure evolution and tensile property of LPBF fabricated 15-5 precipitation hardening stainless steel in post-process direct ageing(DA)and solution treating&ageing(STA).The varied microstructures for austenite and small-sized oxide inclusions at different sample heights in the as-built(AB)condition was generally preserved after DA treatment.However,austenite was almost disappeared,and oxide particle grew significantly after the STA treatment.As a result,the tensile property differences in sample top and bottom for AB and DA conditions did not occur in the STA samples.For the influence of post-process heat treatment,the STA condition had the highest yield strength due to the highest volume fraction of nano-sized Cu precipitates.However,the DA specimen had the highest ultimate tensile strength and elongation owing to the considerable amount of austenite phase and associated transformation induced plasticity effect.

关键词： 15-5 PH stainless steel Laser powder bed fusion Heat treatment Gradient microstructures Tensile properties

Unfolding the structure-property relationships of Li_(2)S anchoring on two-dimensional materials with high-throughput calculations and machine learning

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Journal of Energy Chemistry 2023年第7期82卷 31-39,I0002页

作者： lujie jin Hongshuai Wang Hao Zhao Yujin Ji Youyong Li Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou 215123China Macao Institute of Materials Science and Engineering Macao University of Science and TechnologyTaipa 999078MacaoChina

Lithium-sulfur(Li-S)batteries are notable for their high theoretical energy density,but the‘shuttle effect’and the limited conversion kinetics of Li-S species can downgrade their actual performance.An essential strategy is to design anchoring materials(AMs)to appropriately adsorb Li-S species.Herein,we propose a new three-procedure protocol,named InfoAd(Informative Adsorption)to evaluate the anchoring of Li_(2)S on two-dimensional(2D)materials and disclose the underlying importance of material features by combining high-throughput calculation workflow and machine learning(ML).In this paradigm,we calculate the anchoring of Li_(2)S on 12552D A_(x)B_(y)(B in the VIA/VIIA group)materials and pick out 44(un)reported nontoxic 2D binary A_(x)B_(y)AMs,in which the importance of the geometric features on the anchoring effect is revealed by ML for the first time.We develop a new Infograph model for crystals to accurately predict whether a material has a moderate binding with Li_(2)S and extend it to all 2D materials.Our InfoAd protocol elucidates the underlying structure-property relationship of Li_(2)S adsorption on 2D materials and provides a general research framework of adsorption-related materials for catalysis and energy/substance storage.

关键词： Adsorption Anchoring material Li-S battery Extreme gradient boosting Graph neural network Material geometry Semi-supervised learning

Efficient screening framework for organic solar cells with deep learning and ensemble learning

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npj Computational Materials 2023年第1期9卷 295-305页

作者： Hongshuai Wang Jie Feng Zhihao Dong lujie jin Miaomiao Li Jianyu Yuan Youyong Li Institute of Functional Nano&Soft Materials(FUNSOM) Soochow University199 Ren’ai RoadSuzhou 215123 JiangsuPR China Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices Soochow University199 Ren-Ai RoadSuzhou Industrial ParkSuzhouJiangsu 215123PR China School of Materials Science and Engineering and Tianjin Key Laboratory of Molecular Optoelectronic ScienceTianjin UniversityTianjin 300072China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123 JiangsuPR China Macao Institute of Materials Science and Engineering Macao University of Science and TechnologyTaipa999078 MacaoSARChina

Organic photovoltaics have attracted worldwide interest due to their unique advantages in developing low-cost,lightweight,and flexible power sources.Functional molecular design and synthesis have been put forward to accelerate the discovery of ideal organic semiconductors.However,it is extremely expensive to conduct experimental screening of the wide organic compound space.Here we develop a framework by combining a deep learning model(graph neural network)and an ensemble learning model(Light Gradient Boosting Machine),which enables rapid and accurate screening of organic photovoltaic molecules.This framework establishes the relationship between molecular structure,molecular properties,and device efficiency.Our framework evaluates the chemical structure of the organic photovoltaic molecules directly and accurately.Since it does not involve density functional theory calculations,it makes fast predictions.The reliability of our framework is verified with data from previous reports and our newly synthesized organic molecules.Our work provides an efficient method for developing new organic optoelectronic materials.

关键词： materials ensemble verified

Manufacturing N,O-carboxymethyl chitosan-reduced graphene oxide under freeze-dying for performance improvement of Li-S battery

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International Journal of Extreme Manufacturing 2023年第1期5卷 282-305页

作者： Zhibin Jiang lujie jin Xiying Jian jinxia Huang Hongshuai Wang Binhong Wu Kang Wang Ling Chen Youyong Li Xiang Liu Weishan Li School of Chemistry Engineering Research Center of MTEES(Ministry of Education)Research Center of BMET(Guangdong Province)Engineering Laboratory of OFMHEB(Guangdong Province)Key Laboratory of ETESPG(GHEI)and Innovative Platform for ITBMD(Guangzhou Municipality)South China Normal UniversityGuangzhouPeople’s Republic of China Shenzhen School Affiliated to Sun Yat-Sen University ShenzhenPeople’s Republic of China Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhouPeople’s Republic of China Macao Institute of Materials Science and Engineering Macao University of Science and TechnologyMacao SARPeople’s Republic of China College of Energy Science and Engineering Nanjing Tech UniversityNanjingPeople’s Republic of China

Lithium-sulfur(Li-S) batteries can provide far higher energy density than currently commercialized lithium ion batteries, but challenges remain before it they are used in practice.One of the challenges is the shuttle effect that originates from soluble intermediates, like lithium polysulfides. To address this issue, we report a novel laminar composite, N,O-carboxymethyl chitosan-reduced graphene oxide(CC-rGO), which is manufactured via the self-assembly of CC onto GO and subsequent reduction of GO under an extreme condition of 1 Pa and-50°C. The synthesized laminar CC-rGO composite is mixed with acetylene black(AB) and coated on a commercial polypropylene(PP) membrane, resulting in a separator(CC-rGO/AB/PP) that can not only completely suppress the polysulfides penetration, but also can accelerate the lithium ion transportation, providing a Li-S battery with excellent cyclic stability and rate capability. As confirmed by theoretic simulations, this unique feature of CC-rGO is attributed to its strong repulsive interaction to polysulfide anions and its benefit for fast lithium ion transportation through the paths paved by the heteroatoms in CC.

关键词： composite manufacturing N O-carboxymethyl chitosan reduced graphene oxide separator lithium-sulfur battery

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国内外中华基督教女青年会研究概述

宗教学研究 2022年第1期 216-221页

作者：金璐洁江西科技师范大学数字化社会与地方文化发展研究中心

成立于1923年的中华基督教女青年会是有着近百年历史的女性社会服务团体,在近代中国有着巨大的影响力。该团体的发展历史是基督教史的一部分,从侧面展现出近代基督教女性团体的生存状况,也反映出近代中西文化交流的过程。本文从宏观叙... 详细信息

成立于1923年的中华基督教女青年会是有着近百年历史的女性社会服务团体,在近代中国有着巨大的影响力。该团体的发展历史是基督教史的一部分,从侧面展现出近代基督教女性团体的生存状况,也反映出近代中西文化交流的过程。本文从宏观叙述和整体研究、市会研究、中西干事研究、社会事业研究等四个方面梳理国内外关于该团体的研究概况,以期为基督教女青年会及相关研究提供一定助益。

关键词：基督教女青年会基督教史中西文化交流近代基督教研究概述近百年生存状况影响力

社会性别理论视角下高职院校女学生安全教育与管理探析

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职教论坛 2023年第9期39卷 63-67页

作者：郭宗萱金璐洁江西科技师范大学数字化社会与地方文化发展研究中心

在大数据时代背景下,高职院校女大学生的安全事件呈现出显著增加的趋势,暗示着传统的安全管理模式已无法适应现代社会动态的变化需求。从社会性别理论视角分析高职院校女学生安全问题的成因和挑战,并在此基础上探索构建具有包容性和安... 详细信息

在大数据时代背景下,高职院校女大学生的安全事件呈现出显著增加的趋势,暗示着传统的安全管理模式已无法适应现代社会动态的变化需求。从社会性别理论视角分析高职院校女学生安全问题的成因和挑战,并在此基础上探索构建具有包容性和安全性的教育策略,构建符合男女学生性别特征的安全教育和管理机制,可提升高职院校的安全管理水平,为构建科学合理的安全教育体系提供理论支撑。

关键词：社会性别高职院校女学生安全教育

Persistence of Cry1Ac Protein from Transgenic Bt Cotton Cultivation and Residue Returning in Fields and Its Effect on Functional Diversity of Soil Microbial Communities

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Pedosphere 2019年第1期29卷 114-122页

作者： ZHANG Meijun FENG Meichen XIAO lujie SONG Xiaoyan Guangwei DING YANG Wude College of Agriculture Shanxi Agricultural University Department of Chemistry Northern State University

The persistence of Cry1 Ac protein in the soil and its effect on soil microbial communities are a core issue in assessing the ecological risk of transgenic Bacillus thuringiensis(Bt) cotton. In this study a field experiment was conducted on the cultivation of transgenic Bt cotton(jin 26 and BtJ i 668) with the immediate returning of residues to the fields, in order to quantify the Cry1 Ac protein content in the fields and investigate its effects on the functional diversity of soil microbial communities. Cry1 Ac protein in the residue-soil mixture was gradually degraded in the transgenic Bt cotton fields. After transgenic Bt cotton straw was returned to the fields for 30 d, 63.73%and 58.33% of the initial amounts of Cry1 Ac protein were degraded in the jin 26 and BtJ i 668 fields, respectively. Before the crops were sown in the following year(180 d after returning the straw), no Cry1 Ac protein was detected in the fields. After returning the cotton straw to the fields for 30 d, the Shannon-Wiener and McIntosh indices of soil microbial communities in the transgenic Bt cotton fields were significantly higher than those in the non-transgenic cotton fields. Meanwhile, the utilization of carbon sources including amino acids, amines, and carbohydrates by the soil microbial communities significantly increased. Both the McIntosh index and the utilization of carbohydrates increased until 180 d. Principal component analysis revealed that amino acids, amides, and carbohydrates were the main carbon sources distinguishing the two principal component factors. These findings indicated that Cry1 Ac protein did not accumulate in the fields after transgenic Bt cotton was planted for one year and the residues were immediately returned to the fields; however, the original functional diversity of soil microbial communities was affected continuously.

关键词： Biolog GN2 carbon source utilization diversity index principal component analysis straw return

Unraveling Shuttle Effect and Suppression Strategy in Lithium/Sulfur Cells by In Situ/Operando X-ray Absorption Spectroscopic Characterization

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Energy & Environmental Materials 2021年第2期4卷 222-228页

作者： lujie Jia Jian Wang Shuaiyang Ren Guoxi Ren Xiang jin Licheng Kao Xuefei Feng Feipeng Yang Qi Wang Ludi Pan Qingtian Li Yi-sheng Liu Yang Wu Gao Liu Jun Feng Shoushan Fan Yifan Ye jinghua Guo Yuegang Zhang State Key Laboratory of Low-Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijing 100084China Advanced Light Source and Energy Storage and Distributed Resources DivisionLawrence Berkeley National LaboratoryBerkeley CA 94720USA i-Lab Suzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China CAS Center for Excellence in Superconducting Electronics State Key Laboratory of Functional Materials for InformaticsShanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China 不详

The polysulfides shuttle effect represents a great challenge in achieving high capacity and long lifespan of lithium/sulfur(Li/S)cells.A comprehensive understanding of the shuttle-related sulfur speciation and diffusion process is vital for addressing this issue.Herein,we employed in situ/operando X-ray absorption spectroscopy(XAS)to trace the migration of polysulfides across the Li/S cells by precisely monitoring the sulfur chemical speciation at the cathodic electrolyte-separator and electrolyte-anode interfaces,respectively,in a real-time condition.After we adopted a shuttle-suppressing strategy by introducing an electrocatalytic layer of twinborn bismuth sulfide/bismuth oxide nanoclusters in a carbon matrix(BSOC),we found the Li/S cell showed greatly improved sulfur utilization and longer life span.The operando S Kedge XAS results revealed that the BSOC modification was bi-functional:trapping polysulfides and catalyzing conversion of sulfur species simultaneously.We elucidated that the polysulfide trapping-and-catalyzing effect of the BSOC electrocatalytic layer resulted in an effective lithium anode protection.Our results could offer potential stratagem for designing more advanced Li/S cells.

关键词： in situ/operando lithium/sulfur cell shuttle effect sulfur speciation X-ray absorption spectroscopy

AI辅助合成中的分子表示方法:从序列模型到图论

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中国科学：化学 2023年第1期53卷 107-118页

作者：汪鸿帅金鲁杰冯杰董志浩邓伟侨李有勇苏州大学功能纳米与软物质研究院苏州215123 山东大学前沿交叉科学青岛研究院青岛266237

近些年,随着深层神经网络及其衍生算法的飞速发展,AI在各个领域大放异彩.在计算机辅助化合物合成路线设计领域,生成对抗网络,变分自编码器等人工智能算法表现十分出色.而如何处理分子的几何表示是将化学问题转化为算法问题的关键步骤.... 详细信息

近些年,随着深层神经网络及其衍生算法的飞速发展,AI在各个领域大放异彩.在计算机辅助化合物合成路线设计领域,生成对抗网络,变分自编码器等人工智能算法表现十分出色.而如何处理分子的几何表示是将化学问题转化为算法问题的关键步骤.本文将从不同维度出发,系统地总结各种分子的序列模型、图论等表示方法在辅助合成化学中的应用,讨论目前分子表示中的短板与面临的挑战.

关键词：人工智能分子表示计算机辅助合成机器学习

清末女性教育思想探析——以《东方杂志》为中心的考察

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郑州航空工业管理学院学报（社会科学版） 2021年第4期40卷 48-55页

作者：金璐洁江西科技师范大学数字化社会与地方文化发展研究中心江西南昌330038 上海师范大学人文学院上海200235

文章以《东方杂志》为例,阐述晚清知识分子如何通过《东方杂志》关注女性教育和女性形象的塑造,并将其与同一时期女性自办的报刊中对于女学的关注进行比较,以获得他者的女性建构与女性对自身认同之间的差异。

关键词：《东方杂志》清末女性教育