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Nano Research 2020年第3期13卷 818-823页

作者： Huihui Jin Huang Zhou Pengxia Ji Chengtian Zhang Jiahuan Luo Weihao Zeng Chenxi Hu Daping He Shichun Mu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Engineering Research Center of RF-Microwave Technology and Application Wuhan University of TechnologyWuhan 430070China Department of Chemical and Environmental Engineering Anyang Institute of TechnologyAnyang 455000China

Iron-based oxygen reduction reaction(ORR)catalysts have been the focus of research,and iron sources play an important role for the preparation of efficient ORR ***,we successfully use LiFePO4 as ideal sources of Fe and P to construct the heteroatom doped Fe-based carbon *** obtained Fe-N-P co-doped coral-like carbon nanotube arrays encapsulated Fe2P catalyst(C-ZIF/LFP)shows very high half-wave potential of 0.88 V in alkaline electrolytes toward ORR,superior to Pt/C(0.85 V),and also presents a high half-wave potential of 0.74 V in acidic electrolytes,comparable to Pt/C(0.8 V).When further applied into a home-made Zn-air battery as cathode,a peak power density of 140 mW·cm^-2 is reached,exceeds commercial Pt/C(110 mW·cm^-2).Besides,it also presents exceptional durability and methanol resistance compared with Pt/***,the preparation method of such a high-performance catalyst is simple and easy to optimize,suitable for the large-scale ***’s more,it opens up a more sustainable development scenario to reduce the hazardous wastes such as LiFePO4 by directly using them for preparing high-performance ORR catalysts.

关键词： LiFePO4 waste utilization ZIF-8 heteroatoms-doped oxygen reduction reaction

Cycling hydrogen desorption properties and microstructures of MgH_(2)-AlH_(3)-NbF_(5) hydrogen storage materials

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Rare Metals 2021年第4期40卷 1003-1007页

作者： Xiao-Sheng Liu Hai-Zhen Liu Ning Qiu Yan-Bing Zhang Guang-Yao Zhao Li Xu Zhi-Qiang Lan Jin Guo Guangxi Novel Battery Materials Research Center of Engineering Technology School of Physical Science and TechnologyGuangxi UniversityNanning 530004China Guangxi Key Laboratory of Processing for Non-ferrous Metallic and Featured Materials School of Physical Science and TechnologyGuangxi UniversityNanning 530004China Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology School of Physical Science and TechnologyGuangxi UniversityNanning 530004China State Key Laboratory of Advanced Power Transmission Technology Global Energy Interconnection Research Institute Co.LtdBeijing 102209China Department of AC Construction State Grid Co.LtdBeijing 100031China State Grid DC Project Construction Branch Company Beijing 100052China

Magnesium hydride(MgH_(2)) is a candidate material for hydrogen ***_(2)-AlH_(3) composite shows superior hydrogen desorption properties than pure MgH_(2).However,this composite still suffers from poor cycling *** this work,NbF_(5) was utilized to improve the cycling properties of the MgH_(2)-AlH_(3) *** hydrogen desorption studies show that NbF_(5) significantly improves the cycling stability of MgH_(2)-AlH_(3).The MgH_(2)-AlH_(3)-NbF_(5) composite can release about 2.7 wt% of hydrogen at 300℃ for 1 h and the hydrogen desorption capacity can maintain at 2.7 wt% for more than100 *** comparison,the hydrogen desorption capacity of the MgH_(2)-AlH_(3) composite is decreasing with the cycle number *** capacity is reduced from a maximum value of 3.3 wt% to about 1.0 wt% after 40 ***-Emmett-Teller(BET) surface area measurements show that the particle size of MgH_(2)-AlH_(3) composite decreases after cycling,which means pulverization of the ***_(5) can to some extent suppress the pulverization of the composite during cycling,which partially contributes to the improvement of the cycling hydrogen desorption properties of the material.

关键词： Hydrogen storage materials Magnesium hydride Aluminum hydride Niobium fluoride Cycling properties

Three-dimensional multi-phase-field simulation of eutectoid alloy based on OpenCL parallel

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China Foundry 2021年第3期18卷 239-248页

作者： Chang-sheng Zhu Yu-jie Li Fang-lan Ma Li Feng Peng Lei School of Computer and Communication Lanzhou University of TechnologyLanzhou 730050China State Key Laboratory of Gansu Advanced Processing and Recycling of Non-Ferrous Metal Lanzhou University of TechnologyLanzhou 730050China School of Materials Science and Engineering Lanzhou University of TechnologyLanzhou 730050China

Seeking high-performance computing methods to solve the problem of a large amount of calculation,low calculation efficiency,and small simulation scale on the traditional single central processing unit (CPU) platform is of great value to the simulation study of *** this study,based on the three-dimensional multi-phase-field model of KKSO coupling phase-field and solute field,the open computing language (OpenCL) + graphics processing unit (GPU) heterogeneous parallel computing technology is used to simulate the eutectoid growth of Fe-C alloy and the end growth process of pearlite under pure *** effects of initial supercooling and different diffusion coefficients on the growth morphology of lamellar pearlite were *** results show that ferrite and cementite are perpendicular to the front of the solid-solid interface and are coupled and coordinated to grow,and there is no leading phase under the initial supercooling degree of 20 *** the continuous increase of the initial supercooling degree (19 K-22 K),the morphology changes of the eutectoid layer are as follows:cementite stops growing → slice amplitude increases → regular symmetric growth → oblique growth → layer *** the increase of the diffusion coefficient from 3×10^(-13) m^(2)·s^(-1) to 15×10^(-13) m^(2)·s^(-1),the growth rate of the microstructure of the lamellar pearlite increases linearly,and there is no obvious change in the frontal appearance of the pearlite.

关键词： phase-field model lamellar pearlite eutectoid phase transition OpenCL Fe-C alloy

Machine Learning for Battery Research

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SSRN 2022年

作者： Zhao, Yan Wei, Zheng He, Qiu International School of Materials Science and Engineering State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei430070 China The Institute of Technological Sciences Wuhan University Wuhan Hubei430072 China

Batteries are vital energy storage carriers in industry and in our daily life. There is continued interest in the developments of batteries with excellent service performance and safety. Traditional trial-and-error experimental approaches have the limitations of high-cost and low-efficiency. Atomistic computational simulations are relatively expensive and take long time to screen massive materials. The rapid development of machine learning (ML) has brought innovations in many fields and has also changed the paradigm of the battery research. Numerous ML applications have emerged in the battery community, such as novel materials discovery, property prediction, and characterization. In this review, we introduced the workflow of ML, where the task, data, feature engineering, and evaluation were involved. Several typical ML models used in batteries were highlighted. In addition, we summarized the applications of ML for the discovery of novel materials, and for property and battery state prediction. The challenges for the application of ML in batteries were also discussed. © 2022, The Authors. All rights reserved.

关键词： Machine learning

Polar vortex hidden in twisted bilayers of paraelectric SrTiO3

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arXiv

arXiv 2024年

作者： Sha, Haozhi Zhang, Yixuan Ma, Yunpeng Li, Wei Yang, Wenfeng Cui, Jizhe Li, Qian Huang, Houbing Yu, Rong School of Materials Science and Engineering Tsinghua University Beijing100084 China MOE Key Laboratory of Advanced Materials Tsinghua University Beijing100084 China State Key Laboratory of New Ceramics and Fine Processing Tsinghua University Beijing100084 China Advanced Research Institute of Multidisciplinary Science School of Materials Science and Engineering Beijing Institute of Technology Beijing100081 China

Polar topologies, such as vortex and skyrmion, have attracted significant interest due to their unique physical properties and promising applications in high-density memory devices. Currently, most polar vortices are observed in heterostructures containing ferroelectric materials and constrained by substrates. In this study, we unravel arrays of polar vortices formed in twisted freestanding bilayers composed of SrTiO3, a quantum-paraelectric material. Depth-resolved structures of the bilayers are measured with deep-sub-angstrom resolution and one picometer accuracy using multislice ptychography, enabling identification of the three-dimensional variations of polarization topology. Our findings reveal the evolution of the polar vortices in the twisted overlapping layers, demonstrating the reverse of rotation manner in the depth direction. Twisted freestanding bilayers provide a unique platform for exploration and modulation of novel polar topologies. © 2024, CC BY-NC-SA.

关键词： Topology

Dependence of Stress Rupture Properties on Competing Deformation Mechanisms of a Novel Ni-Based Superalloy

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SSRN 2023年

作者： Wang, Xingmao Ding, Yutian Gao, Yubi Chen, Jianjun Yu, Hongyao Bi, Zhongnan Du, Jinhui Gan, Bin State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of Technology Gansu Lanzhou730050 China Beijing Key Laboratory of Advanced High Temperature Materials Central Iron and Steel Research Institute Beijing100081 China

A novel Ni-based superalloy with moderate volume fraction of γ' particles and low stacking fault energy is used as a model to investigate the dependence of stress rupture properties on competing deformation modes at 760 ℃/480 MPa. The results show that the stress rupture life of the studied superalloy decreases with the increasing cold rolling reduction amount. On the contrary, the elongation after stress ruptured increases with the increase of rolling reduction. The deformation mechanisms can be divided into three stages with the increase of cold rolling reduction amount: (ⅰ) dislocation slipping & isolated stacking fault shearing, (ⅱ) isolated stacking fault shearing & deformation twinning and then (ⅲ) deformation twinning becomes the dominant mechanism, respectively. This means that pre-cold rolling treatments can enhance the twinning ability, which increase the creep resistance and improve the creep/stress rupture properties in principle. However, the rapid coarsening of γ' particles, the formation of isolated SFs and the early cracking of grain boundaries induced by the pre-rolling cause catastrophic damage to the stress rupture life and which cannot be compensated by the activation of deformation twinning. In addition, the degree of recovery and recrystallization increases with the increasing rolling reduction amount, causing a more pronounced softening effect, which accounts for the increase of elongation after stress ruptured. © 2023, The Authors. All rights reserved.

关键词： Nickel alloys

Effect of Deep Cryogenic Treatment on Microstructure and Mechanical Properties of Fe50mn30co10cr10 High Entropy Alloy Fabricated by Laser Metal Deposition

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SSRN 2024年

作者： Liu, Guocheng Dang, Tianqi Hu, Ning Sun, Ming Li, Jianjiang Wei, Wenting Hua, Lin Hubei Key Laboratory of Advanced Technology for Automotive Components Wuhan University of Technology Wuhan430070 China School of Automotive Engineering Wuhan University of Technology Wuhan430070 China State Key Laboratory of Materials Processing and Die & Mould Technology Huazhong University of Science and Technology Wuhan430074 China Hubei Longzhong Laboratory Xiangyang441000 China The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and Technology Wuhan430081 China

As a typical additive manufacturing technology, laser melting deposition (LMD) has been widely used to process high entropy alloy (HEA). However, deposited products usually have poor mechanical properties. In this study, deep cryogenic treatment (DCT) is proposed to enhance the mechanical performance of the laser melting deposited Fe50Mn30Co10Cr10 high entropy alloy. When the specimen underwent 48 hours of immersion during DCT processing, the tensile strength, hardness and strength-plasticity product of the DCTed HEA were 901 MPa, 286HV and 33.3 GPa%, respectively. Compared with as-deposited state, the HCP Ε phase content, average grain size and tensile strength of the DCT 48h samples increased by 2.2 times, 58.0% and 30.8%, respectively. Furthermore, the friction coefficient and wear rate of the DCT Fe50Mn30Co10Cr10 reduced by 25.6% and 30.3%, respectively. More HCP Ε phases generated inside and at the boundaries of FCC γ grains because of the transformation-induced plasticity (TRIP) effect for the Fe50Mn30Co10Cr10 alloy triggered by the DCT processing. Dynamic recrystallization helped to refine FCC γ grain structures in the HEA due to high temperature gradient soaking in liquid nitrogen. The results showed that the excellent mechanical performances could be attributed to the synergistic effects of fine-grain strengthening and second-phase particle dispersion strengthening. Moreover, the DCT processing played an important role in overcoming the strength-ductility trade-off for the additively manufactured Fe50Mn30Co10Cr10 high entropy alloy. © 2024, The Authors. All rights reserved.

关键词： High-entropy alloys

In-situ growth of large-area monolithic Fe_(2)O_(3)/TiO_(2) catalysts on flexible Ti mesh for CO oxidation

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Journal of materials Science & technology 2021年第10期69卷 119-128页

作者： Xinyue Tang Junchao Wang Jing Li Xinglai Zhang Peiqing La Xin jiang Baodan Liu Shenyang National Laboratory for Materials Science(SYNL) Institute o f Metal Research(IMR)Chinese Academy of Sciences(CAS)No.72 Wenhua RoadShenyang110016 China School of Materials Science and Engineering University of Science and Technology of ChinaNo.72 Wenhua Road.Shenyang110016 China State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of TechnologyLanzhou730050China

In this study, we reported the in-situ fabrication of a series of Fe_(2)O_(3)/TiO_(2) monolithic catalysts on flexible Ti mesh via plasma electrolytic oxidation process, hydrothermal reaction and chemical bath deposition(CBD) method. The morphology tailoring of Fe_(2)O_(3) nanostructures finds that Fe2O3 nanosheets supported on TiO2 exhibit superior catalytic performance with a complete oxidation of CO at 260℃. The catalytic stability test indicates that the in-situ grown Fe_(2)O_(3)/TiO_(2) catalysts own outstanding performance for continuous CO oxidation due to the strong substrate adhesion without mass loss. The microstructures and interfaces of Fe_(2)O_(3)/TiO_(2) catalysts are well studied using series of characterization techniques. The in-situ preparation strategy of metal oxide catalysts in this work will open up more opportunities for the rational design of variety of monolithic catalysts used for CO oxidation, de-NO_(x), three-way catalysis and other related application in industry.

关键词： Fe_(2)O_(3)/TiO_(2)nanostructures Monolithic catalysts Plasma electrolytic oxidation In-situ fabrication CO oxidation

Stable Cycling of High-Capacity Red Phosphorus/Carbon Composite Anode in All-Solid-state Lithium-Ion Batteries

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SSRN 2023年

作者： Sun, Han Liu, Dan Li, Jing Qu, Deyu Xie, Zhizhong Song, Jiangping Tang, Haolin Department of Chemistry School of Chemistry Chemical Engineering and Life Sciences Wuhan University of Technology 122 Luoshi Road Wuhan430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Wuhan430070 China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan528200 China

Using the Li metal anode in all-solid-state batteries (ASSBs) is challenging than initially envisioned owing to poor thermodynamic stability against solid electrolytes. Therefore, it is imperative to develop Li-ion anode alternatives for the future practical implementation of high-energy ASSBs. Here, for the first time, we demonstrate the stable cycling of red phosphorus (P)-carbon composite as a low-cost and high-capacity anode in sulfide electrolyte-based ASSBs. By loading subnanometer-scaled red P clusters in the micropores of a commercial activated carbon (AC), the electrically insulating red P can be fully activated and operable in room-temperature ASSBs. Benefiting from its medium lithiation potential and fast Li+ diffusion capability, the resultant P@AC electrode enables a record-high current density of over 18 mA cm−2 without Li dendrite formation in a symmetric cell. In a half cell, the P@AC material with a red P content of 53 wt% can deliver a high first delithiation capacity of 1438 mAh g−1 at 0.2 A g−1 and a decent capacity retention of 66.9% after 400 cycles (running time of over 180 days). When paired with a LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode, the P@AC||NCM811 full cell achieves an initial areal capacity of 2.98 mAh cm−2 and enables stable cycling over 200 cycles. © 2023, The Authors. All rights reserved.

关键词： Activated carbon

Improved Anti-Adhesive Wear Performance of Cu/Al Pair Via Interfacial Energy Modulation

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SSRN 2023年

作者： Lu, Tian-Tian Hua, Dong-Peng An, Bai-Ling Hafeez, Muhammad Arslan Pan, Jie Lu, Jun-Yong Zhou, Qing Zhang, Cheng Liu, Lin School of Materials Science and Engineering State Key Lab for Materials Processing and Die & Mold Technology Huazhong University of Science and Technology Wuhan430074 China School of Materials Science and Engineering State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal Materials Northwestern Polytechnical University Shaanxi Xi’an710072 China National Key Laboratory of Science and Technology on Vessel Integrated Power System Naval University of Engineering Wuhan430033 China

The prevention of adhesive wear between metals is challenging due to the strong adhesion forces that arise from the interaction of asperities. Here, we propose a novel approach to enhance the anti-adhesive wear performance of Cu/Al pair through interfacial energy modulation, with potential applications in electromagnetic railgun. Our findings indicate that the interfacial energy of the Cu-Al pair can be significantly reduced by magnetron sputtering a W thin film onto the Al alloy surface. A lower coefficient of friction and a substantial alleviation in adhesion and mechanical damage of the Cu alloy are thus obtained. Molecular dynamics simulations reveal that the immiscibility and low interfacial energy of the Cu/W pair result in the formation of an amorphous interfacial layer during friction, facilitating countermotion at the contacting surfaces, thus in turn enables the low friction. This study provides a guideline for designing novel wear-resistant pairs based on interfacial energy modulation. © 2023, The Authors. All rights reserved.

关键词： Adhesives