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Precise Synthesis of Dual-Single-Atom Electrocatalysts through Pre-Coordination-Directed in Situ Confinement for CO2Reduction

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Angewandte Chemie 2024年第3期137卷

作者： Peng Rao Xingqi Han Haochen Sun Fangyuan Wang Ying Liang Jing Li Daoxiong Wu Xiaodong Shi Zhenye Kang Zhengpei Miao Peilin Deng Xinlong Tian School of Marine Science and Engineering Hainan University Haikou 570228 China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials Center for Advanced Low-dimension Materials/Innovation Center for Textile Science and Technology/Institute of Functional Materials/Center for Civil Aviation Composites College of Materials Science and Engineering Donghua University Shanghai 201620 China

Dual-single-atom catalysts (DSACs) are the next paradigm shift in single-atom catalysts because of the enhanced performance brought about by the synergistic effects between adjacent bimetallic pairs. However, there are few methods for synthesizing DSACs with precise bimetallic structures. Herein, a pre-coordination strategy is proposed to precisely synthesize a library of DSACs. This strategy ensures the selective and effective coordination of two metals via phthalocyanines with specific coordination sites, such as −F− and −OH−. Subsequently, in situ confinement inhibits the migration of metal pairs during high-temperature pyrolysis, and obtains the DSACs with precisely constructed metal pairs. Despite changing synthetic parameters, including transition metal centers, metal pairs, and spatial geometry, the products exhibit similar atomic metal pairs dispersion properties, demonstrating the universality of the strategy. The pre-coordination strategy synthesized DSACs shows significant CO 2 reduction reaction performance in both flow-cell and practical rechargeable Zn-CO 2 batteries. This work not only provides new insights into the precise synthesis of DSACs, but also offers guidelines for the accelerated discovery of efficient catalysts.

关键词： Dual-single-atom catalysts bimetallic pairs pre-coordination strategy CO2 reduction reaction synergistic effects

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Correction: a novel non-vacuum packaged triaxial accelerometer with differential dual-axis resonantors and torsional elements

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Microsystem Technologies 2023年第1期30卷 45-45页

作者： Li, Jinhui Xia, Dunzhu Wang, Songli Yang, Xiuhua Zhang, Bing Key Laboratory of Micro-lnertial Instruments and Advanced Navigation Technology Ministry of Education Nanjing China School of Instrument Science and Engineering Southeast University Nanjing China Xi’an Flight Automatic Control Research Institute of Aviation Industry Xi’an China

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DPA-2: a large atomic model as a multi-task learner

arXiv

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arXiv 2023年

作者： Zhang, Duo Liu, Xinzijian Zhang, Xiangyu Zhang, Chengqian Cai, Chun Bi, Hangrui Du, Yiming Qin, Xuejian Peng, Anyang Huang, Jiameng Li, Bowen Shan, Yifan Zeng, Jinzhe Zhang, Yuzhi Liu, Siyuan Li, Yifan Chang, Junhan Wang, Xinyan Zhou, Shuo Liu, Jianchuan Luo, Xiaoshan Wang, Zhenyu Jiang, Wanrun Wu, Jing Yang, Yudi Yang, Jiyuan Yang, Manyi Gong, Fu-Qiang Zhang, Linshuang Shi, Mengchao Dai, Fu-Zhi York, Darrin M. Liu, Shi Zhu, Tong Zhong, Zhicheng Lv, Jian Cheng, Jun Jia, Weile Chen, Mohan Ke, Guolin Weinan, E. Zhang, Linfeng Wang, Han AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing100871 China University of Chinese Academy of Sciences Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China CAS Key Laboratory of Magnetic Materials and Devices Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of Sciences Ningbo315201 China School of Electronics Engineering and Computer Science Peking University Beijing100871 China Shanghai Engineering Research Center of Molecular Therapeutics & New Drug Development School of Chemistry and Molecular Engineering East China Normal University Shanghai200062 China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States Department of Chemistry Princeton University PrincetonNJ08540 United States College of Chemistry and Molecular Engineering Peking University Beijing100871 China Yuanpei College Peking University Beijing100871 China School of Electrical Engineering and Electronic Information Xihua University Chengdu610039 China State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China Key Laboratory of Material Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China Key Laboratory for Quantum Materials of Zhejiang Province Department of Physics School of Science Westlake University Zhejiang Hangzhou310030 China Atomistic Simulations Italia

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demonstrated the capability to conduct large-scale, long-duration simulations with the accuracy of ab initio electronic structure methods. However, the model generation process remains a bottleneck for large-scale applications. We propose a shift towards a model-centric ecosystem, wherein a large atomic model (LAM), pre-trained across multiple disciplines, can be efficiently fine-tuned and distilled for various downstream tasks, thereby establishing a new framework for molecular modeling. In this study, we introduce the DPA-2 architecture as a prototype for LAMs. Pre-trained on a diverse array of chemical and materials systems using a multi-task approach, DPA-2 demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning methodologies. Our approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research. Copyright © 2023, The Authors. All rights reserved.

关键词： Multi-task learning

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Microstructure and Mechanical Properties of AISI 304L Austenitic Stainless Steel Processed by Various Schedules of Rolling 7

Microstructure and Mechanical Properties of AISI 304L Austen...

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7th All-Russian Conference on Nanomaterials, NANO 2020

作者： Raab, A.G. Raab, G.I. Tokar, A.A. Rybalchenko, O.V. Belyakov, A.N. Dobatkin, S.V. La, P. Institute of Physics of Advanced Materials Ufa State Aviation Technical University K. Marx st. 12 Ufa450008 Russia A A Baikov Institute of Metallurgy and Materials Science of Ras Leninsky pr. 49 Moscow119334 Russia Belgorod State University Pobeda st. 85 Belgorod308015 Russia State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou China National University of Science and Technology "misis" Leninskiy pr. 4 Moscow119049 Russia

The paper studies various rolling schedules implemented at 500°C (incl. direct, reverse, and cross rolling) and their effect on the structure formation and mechanical properties in AISI 304L stainless steel samples. Both TEM and SEM research techniques were applied. An ultrafine grain-subgrain microstructure was found to be formed inside elongated original grains. Rolling-processed microstructural elements were close in their size with the minimum value observed after a reverse rolling (240 nm). Mechanical properties were studied using microhardness measurements and tensile testing revealing a considerable increase in strength accompanied by a density reduction upon deformation. The strength values in the material subjected to all three rolling schedules are relatively close to the highest yield strength and ultimate tensile stress observed after reverse rolling with a strain degree of 70%. © Published under licence by IOP Publishing Ltd.

关键词： Tensile testing

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Model-Predictive Optimization for Lane Keeping Assistance System with Exponential Decay Smoothing

Model-Predictive Optimization for Lane Keeping Assistance Sy...

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IEEE International Conference on Robotics and Biomimetics

作者： Sheng Zhang Xiangtao Zhuan Yating Fang Jun Cheng School of Electrical and Automation Wuhan University Wuhan China CAS Key Laboratory of Human-Machine Intelligence-Synergy Systems Shenzhen Institute of Advanced Technology CAS China School of Transportation Science and Engineering Civil Aviation University of China Tianjin China The Chinese University of Hong Kong Hong Kong China

ISBN: (纸本)9781665405362

Lane keeping assistance system is a widely used driving assistance system. When the vehicle enters and exits a curve, the responses related to lateral stability will show significant fluctuations. Smooth lane keeping is the cornerstone of the user’s trust towards the lane keeping assistance, and it is important to smooth the responses related to lateral stability. Therefore, in this paper, a lane keeping control strategy that can achieve smooth steering operation is proposed. First of all, the lateral dynamics model that can be used for lane keeping control conveniently is established. In addition, with the model predictive control (MPC), the control strategy for lane keeping is designed. The main control objective is lateral stability, and performance variables are used to measure the performance during lane keeping process. What’s more, the contribution of this paper is that a reference trajectory in the form of an exponential decay function is set for the performance variables, so that the performance variables approach the optimal value in a smooth manner. Finally, two simulation scenarios for lane keeping are set up, and the control strategy in this paper is verified by simulation experiments.

关键词： Analytical models Fluctuations Smoothing methods Lane departure warning systems Stability analysis Trajectory Vehicle dynamics

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Differences of the oxidation process and secondary organic aerosol formation at low and high precursor concentrations

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Journal of Environmental sciences 2019年第5期31卷 256-263页

作者： Tianzeng Chen Yongchun Liu Biwu Chu Changgeng Liu Jun Liu Yanli Ge Qingxin Ma Jinzhu Ma Hong He State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental Sciences Chinese Academy of Sciences University of Chinese Academy of Sciences Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical Technology Center for Excellence in Regional Atmospheric Environment Institute of Urban Environment Chinese Academy of Sciences

Current atmospheric quality models usually underestimate the level of ambient secondary organic aerosol(SOA), one of the possible reasons is that the precursors at different concentrations may undergo different oxidation processes and further affect SOA formation. Therefore, there is a need to perform more chamber studies to disclose the influence. In this work, SOA formation over a wide range of initial precursor concentrations(tens of ppb to hundreds of ppb levels) was investigated in a 30 m3 indoor smog chamber,and mainly through the analysis of multiple generations of VOCs detected from HR-To FPTRMS to expound the difference in the oxidation process between low and high precursor concentrations. Compared to high initial concentrations, gas-phase intermediates formed at low concentrations had a higher intensity by about one order of magnitude, and the lowvolatility compounds also had a higher formation potential due to the competition between semi-volatile intermediates and precursors with oxidants. In addition, the formed SOA was more oxidized with higher f44 value(0.14 ± 0.02) and more relevant to real atmosphere than that formed at high concentrations. This work should help to deeply understand SOA formation and improve the performance of air quality models for SOA simulation.

关键词： Secondary organic aerosol Aromatic hydrocarbons Aerosol mass spectrometer Low-volatility compounds Oxidation processes

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Diffusion mechanism simulation of cloud manufacturing complex network based on cooperative game theory

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Journal of Systems Engineering and Electronics 2018年第2期29卷 321-335页

作者： GENG Chao QU Shiyou XIAO Yingying WANG Mei SHI Guoqiang LIN Tingyu XUE Junjie JIA Zhengxuan Economics and Management School Harbin Institute of Technology at Weihai Beijing Complex Product Advanced Manufacturing Engineering Research Center Beijing Simulation Center State Key Laboratory of Intelligent Manufacturing System Technology Beijing Institute of Electronic System Engineering Science and Technology on Space System Simulation Laboratory Beijing Simulation Center

Cloud manufacturing is a specific implementation form of the "Internet + manufacturing" strategy. Why and how to develop cloud manufacturing platform(CMP), however, remains the key concern of both platform operators and users. A microscopic model is proposed to investigate advantages and diffusion forces of CMP through exploration of its diffusion process and mechanism. Specifically, a three-stage basic evolution process of CMP is innovatively proposed. Then, based on this basic process, a more complex CMP evolution model has been established in virtue of complex network theory, with five diffusion forces identified. Thereafter, simulations on CMP diffusion have been conducted. The results indicate that, CMP possesses better resource utilization,user satisfaction, and enterprise utility. Results of simulation on impacts of different diffusion forces show that both the time required for CMP to reach an equilibrium state and the final network size are affected simultaneously by the five diffusion forces. All these analyses indicate that CMP could create an open online cooperation environment and turns out to be an effective implementation of the "Internet + manufacturing" strategy.

关键词： complex network cloud manufacturing innovation diffusion network effect Gale-Shapley algorithm cooperative game theory

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Erratum: “simulation of chiral motion of excitation within the ground-state manifolds of neutral atoms” [APL Quantum 1, 036109 (2024)]

APL Quantum

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APL Quantum 2024年第3期1卷

作者： Hao-Yuan Tang Xiao-Xuan Li Jia-Bin You Xiao-Qiang Shao Center for Quantum Sciences and School of Physics Northeast Normal University Changchun 130024 China Sino-European Institute of Aviation Engineering Civil Aviation University of China Tianjin 300300 China Institute of High Performance Computing A*STAR (Agency for Science Technology and Research) 1 Fusionopolis Way Connexis Singapore 138632 Center for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University Changchun 130024 China

In the original version of this article initially published,1 there were still some typographical errors that should be corrected.

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simulation of chiral motion of excitation within the ground-state manifolds of neutral atoms

APL Quantum

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APL Quantum 2024年第3期1卷

Laser-induced gauge fields in neutral atoms serve as a means of mimicking the effects of a magnetic field, providing researchers with a platform to explore behaviors analogous to those observed in condensed matter systems under real magnetic fields. Here, we propose a method to generate chiral motion in atomic excitations within the neutral atomic ground-state manifolds. This is achieved through the application of polychromatic driving fields coupled to the ground–Rydberg transition, along with unconventional Rydberg pumping. The scheme offers the advantage of arbitrary adjustment of the effective magnetic flux by setting the relative phases between different external laser fields. In addition, the effective interaction strength between the atomic ground states can be maintained at 10 kHz, surpassing the capabilities of the previous approach utilizing Floquet modulation. Notably, the proposed method can be readily extended to implement a hexagonal neutral atom lattice, serving as the fundamental unit in realizing the Haldane model.

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Finite element simulation and experimental test of the wear behavior for self-lubricating spherical plain bearings

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Friction 2018年第3期6卷 297-306页

作者： Yahong XUE Jigang CHEN Sumin GUO Qingliang MENG Junting LUO School of Mechanical Engineering Yanshan University Aviation Key Laboratory of Science and Technology on Generic Technology of Self-Lubricating Spherical Plain Bearing Yanshan University Education Ministry Key Laboratory of Advanced Forging and Stamping Technology and Science Yanshan University

In this study, based on the classical Archard adhesion wear theory, a three-dimensional finite element model was established, with the aim of simulating the failure process of self-lubricating spherical plain bearings in the swinging wear condition. The results show that the self-lubricating spherical plain bearings go through two different stages during the wear process, namely, initial wear stage and stable wear stage. Because the large contact points wear out during the initial wear stage, the maximum contact pressure decreases as the test period increases. The relatively larger wear depth region shows elliptical distribution, and the maximum distribution appears in the central contact area. The wear depth reaches 0.974 mm after swinging 25,000 times. PTFE fibers, which possess a good friction performance but poor abrasion resistance, abundantly exist on the friction surfaces of the fabric liner. Consequently, the friction torque during the initial wear stage is slightly smaller than the friction torque during the stable wear stage; however, the wear rate during the initial wear stage is high. The reliability and effectiveness of the finite element model are verified by experiment. The developed finite element model can be used for the analysis of the wear mechanisms of bearings and the prediction of the service life of bearings.

关键词： spherical plain bearing wear mechanisms wear depth contact pressure simulation

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