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Atomistic mechanism of high ionic co.ductivity in lithium ytterbium-based halide solid electrolytes:A first-principles study

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Journal of Rare Earths 2024年第1期42卷 155-162,I0006页

作者： Limin Wang Wei Xiao Lu Sun Rong Yang Jinqiu Yu Ligen Wang State Key Laboratory of Nonferrous Metals and Processes China GRINM Group Co.Ltd.Beijing100088China GRIMAT Engineering Institute co. Ltd.Beijing101407China General Research Institute for Nonferrous Metals Beijing100088China China Automotive Battery Research Institute co. Ltd.Beijing101407China Rare Earth Functional Materials(Xiong'an)innovation Center co. Ltd.Xiong'an071700China

As the next generation of co.mercial automotive power batteries begins replacing liquid lithium batteries,many look towards all-solid-state batteries to pioneer the ***-so lid-state batteries have attracted the attention of co.ntless researchers around the world because of their high safety and high energy *** recent times,halide solid-state electrolytes have beco.e a research hotspot within solid-state electrolytes because of their potentially superior *** this paper,in the framework of DFT,we investigated the atomic mechanisms of improving the ionic co.ductivity and stability of Li_(3)YbCl_(6).Our calculations show that both trigonal and orthorhombic Li_(3)YbCl_(6) exhibit wide electrochemical windows and metastable properties(100 meV/atom>Ehull>0 meV/atom).However,the orthorhombic Li_(3)YbCl_(6) can be stabilized at high temperatures by taking the vibrational entropy into acco.nt,which is supported by the experimental ***,it is expected that because of the Yb/Li synergistic interactions that,due to their strong mutual co.lomb repulsion,influence the Li^(+)transport behavior,the orthorhombic Li_(3)YbCl_(6) might have superior ionic co.ductivities with appropriate Li+migration paths determined by the Yb^(3+) ***,higher ionic co.ductivities can be obtained by regulating the random distribution of Li^(+) *** Li^(+)-deficiency can also largely increase the ionic co.ductivity by invoking *** study helps gain a deeper understanding of the laws that govern ionic co.ductivities and stabilities and provides a certain theoretical reference for the experimental development and design of halide solid-state electrolytes.

关键词： Halide solid-state electrolytes Phase stability Ionic co.ductivity First-principles calculations Rare earths

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Machine learning and neural network supported state of health simulation and forecasting model for lithium-ion battery

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Frontiers in Energy 2024年第2期18卷 223-240页

作者： Nan QI Kang YAN Yajuan YU Rui LI Rong HUANG Lai CHEN Yuefeng SU beijing Institute of Technology Chongqing innovation Center Chongqing 401120China Department of Energy and Environmental Materials School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China beijing Electric Vehicle co. Ltd.Beijing 100176China

As the intersection of disciplines deepens,the field of battery modeling is increasingly employing various artificial intelligence(AI)approaches to improve the efficiency of battery management and enhance the stability and reliability of battery *** paper reviews the value of AI methods in lithium-ion battery health management and in particular analyses the application of machine learning(ML),one of the many branches of AI,to lithium-ion battery state of health(SOH),focusing on the advantages and strengths of neural network(NN)methods in ML for lithium-ion battery SOH simulation and *** is one of the important branches of ML,in which the application of NNs such as backpropagation NN,co.volutional NN,and long short-term memory NN in SOH estimation of lithium-ion batteries has received wide *** so far have shown that the utilization of NN to model the SOH of lithium-ion batteries has the advantages of high efficiency,low energy co.sumption,high robustness,and scalable *** the future,NN can make a greater co.tribution to lithium-ion battery management by,first,utilizing more field data to play a more practical role in health feature screening and model building,and seco.d,by enhancing the intelligent screening and co.bination of battery parameters to characterize the actual lithium-ion battery SOH to a greater *** in-depth application of NN in lithium-ion battery SOH will certainly further enhance the science,reliability,stability,and robustness of lithium-ion battery management.

关键词： machine learning lithium-ion battery state of health neural network artificial intelligence

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Multi-performance evaluation of high-throughput accelerated co.rosion test for high-strength low-alloy 921A steel

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Journal of Iron and Steel Research International 2024年第5期31卷 1260-1278页

作者： co.g-co.g Du Ming-hua Qin Zhan-fang Wu Dong-ling Li Lei Zhao Xiang-yang Li Hai-zhou Wang beijing Advanced innovation Center for Materials Genome Engineering National Center for Materials Service SafetyUniversity of Science and Technology BeijingBeijing100083China China Iron and Steel Research Institute Group co. Ltd.Beijing100081China beijing Advanced innovation Center for Materials Genome Engineering Central Iron and Steel Research InstituteBeijing100081China

The co.rosion behavior of high-strength low-alloy 921A steel in a simulated marine atmospheric environment was studied using a high-throughput experimental *** co.rosion behavior,co.rosion morphology,and co.rosion products of 921A steels were analyzed using various techniques,including co.rosion mass loss method,polarization curve,white-light interferometry,scanning electron microsco.y,energy-dispersive spectrometry,microbeam X-ray fluorescence spectrometry,X-ray diffraction technique,and X-ray photoelectron *** test results indicated that 921A steel exhibits better co.rosion resistance than Q450NQR1 steel in simulated harsh atmospheric environments,as evidenced by a lower co.rosion mass loss rate throughout the co.rosion *** co.rosion products of both steels co.sisted ofα-FeOOH,Fe_(3)O_(4),andγ-FeOOH,withα-FeOOH being more prevalent in the rust layer of 921A steel than in Q450NQR1 *** inner rust layer of 921A steel also exhibited an appositional enrichment region of Cr,Ni,Mo,and V,leading to its superior co.rosion resistance co.pared to that of Q450NQR1 *** efficacy of high-throughput accelerated co.rosion experimental methods was highlighted for evaluating the co.rosion resistance of steel materials in harsh environmental *** findings suggest that 921A steel exhibits better co.rosion resistance co.pared to Q450NQR1 steel and has the potential to be more suitable in harsh marine atmospheric *** characterization of the rust layer structures and co.position reveals the parallel enrichment of certain elements in the inner rust layer of 921A steel,which enhances its co.rosion resistance.

关键词： Atmospheric co.rosion High-throughput experimental method High-strength low-alloy steel co.rosion characteristics Rust layer Element enrichment

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Changes in microstructure and properties of weld heat-affected zone of high-strength low-alloy steel

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Journal of Iron and Steel Research International 2024年第8期31卷 2041-2052页

作者： Shu-jun Jia Qi-lin Ma Yu Hou Ba Li He-song Zhang Qing-you Liu Central Iron and Steel Research Institute co. Ltd.Beijing 100081China co.laborative innovation Center for Steel co.monality University of Science and Technology BeijingBeijing 100083China co.struction Project Management Branch of China National Petroleum Pipeline Network Group co. Ltd.Langfang 065000HebeiChina

The evolution of the microstructure and toughness of APL5L X80 pipeline steel after thermal welding simulation was investigated by X-ray diffraction,electron backscatter diffraction,and transmission electron *** results indicated that primary heat-affected zones can be divided into weld,co.rse-grained,fine-grained,intercritical,and sub-critical *** microstructure of the weld zone is mainly co.posed of bainitic ferrite and a small amount of granular bainite;however,the original austenite grains are distributed in the co.umnar *** structure of the co.rse-grained zone is similar to that of the weld zone,but the original austenite grains are *** co.trast,the microstructure in the fine-grained zone is dominated by fine granular bainite,and the effective grain size is only 8.15μm,thus providing the highest toughness in the entire heat-affected *** intercritical and subcritical zones were brittle valley regions,and the microstructure was dominated by granular ***,the martensite-austenite(M/A)co.stituents are present in island chains along the grain boundaries,and the co.rse size of the M/A co.stituents seriously reduces the *** results of the crack propagation analyzes revealed that high-angle grain boundaries can significantly slow down crack growth and change the crack direction,thereby increasing the material *** impact toughness of the low-temperature tempering zone was equivalent to that of the co.umnar grain zone,and the impact toughness was between those of the critical and fine-grained zones.

关键词： Welding thermal simulation Impact toughness Crack propagation Martensite-austenite co.stituent High-strength low-alloy steel weld Heat-affected zone

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Effect of phase transition during roasting of Mountain Pass rare earth co.centrate on leaching efficiency of rare earths

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Journal of Rare Earths 2024年第2期42卷 409-414,I0006页

作者： Yanyan Zhao Xu Sun Deliang Meng Xiangsheng Liu Qiang Zhong Zongyu Feng National Engineering Research Center for Rare Earth Grirem Advanced Materials Co.Ltd.Beijing0088China Rare Earth Functional Materials(Xiong'an)innovation Center co. Ltd.Xiongan071700China General Research Institute for Nonferrous Metals Beijing100088China

To find a greener and more eco.omical approach for treating the Mountain Pass rare earth co.centrate(MPREC),a novel "co.bination Method",including the processes of oxidizing roasting,HCI leaching and sulfuric acid roasting,is proposed in this *** this paper,the effect of phase transition behavior in hydrochloric acid leaching during oxidative roasting at 450-600℃ was *** roasting,the bastnasite in MPREC is deco.posed into CeLa_(2)O_(3)F_(3) and(Ce_(0.33),La_(0.33),Ca_(0.33))O_(1.5).As the CeLa_(2)O_(3)F_(3) phase has the fluorine-fixation effect,the generated CeLa_(2)O_(3)F_(3) phase can not be dissolved by HCI after roasting at 500 and 550℃,but it can be deco.posed by HCI after roasting at over 600℃,resulting in the improvement of the leaching rate of total F *** maximum leaching efficiency of rare earth elements(REEs) can reach 70.32 wt% at the roasting temperature of 550℃.After roasting at over 600℃,some F^-ions in the solution co.bined with RE^(3+) to form REF_(3) precipitate and enter the leaching residue,and the others are in the form of [CeF_(3)]^+ in the leaching solution during leaching,therefore,the leaching efficiency of non-ce rium REEs decreases while that of cerium element *** work provides basic research for optimizing the actual production process of MPREC.

关键词： Mountain pass rare earth mine Roasting Phase change Rare earths

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Effect of Low pH on Forming Process of Desulfurization Gypsum co.posite Boards Strengthened by Melamine-formaldehyde Resin

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Journal of Wuhan University of Technology(Materials Science) 2024年第5期39卷 1223-1228页

作者： CAO Lijiu ZHANG Jiyao WANG Xinqi ZHANG Xinhe HUANG Jian CHEN Yufang JIN Tao CAS Testing Technical Service(Guangzhou)co. Ltd.Guangzhou 510650China Xuefeng innovation(beijing)Technology co. Ltd.Beijing 102200China Guangzhou Institute of Chemistry Chinese Academy of SciencesGuangzhou 510650China University of Chinese Academy of Sciences Beijing 100049China

Through exploring the effects of low pH on the co.posite system of desulfurization gypsum(DG)enhanced by melamine-formaldehyde resin(MF),it is found that the inducing of sulfate-ion,in co.trast to chloride and oxalate ions,favors the longitudinal growth of the crystalline form of the hydration product,which was relatively simple and had the highest length to width(L/D)*** the same time,MF can also improve L/D ratio of gypsum hydration products,which favors the formation of hydrated ***,in a co.posite system co.posed of hemihydrate gypsum,MF,and glass fibers,when dilute sulfuric acid was used to regulate pH=3-4,the tight binding formed among the co.ponents of the co.posite system co.pared to pH=*** hydration product of gypsum adheres tightly to glass fiber surface and produces a good cross-linking and binding effect with *** flexural strength,co.pressive strength,elastic modulus,and water absorption of the desulphurized gypsum co.posite board is 22.7 MPa,39.8 MPa,5608 MPa,and 1.8%,respectively.

关键词： MF-reinforced desulphurized gypsum board co.posite forming system low pH co.dition hydration process aspect ratio synergistic effect

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Lactose-free milk powder can effectively relieve diarrhea symptoms in weaning SD rats and children

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Food Science and Human Wellness 2024年第3期13卷 1494-1502页

作者： Manman Liu Shiwen Han Boya Li Cheng Chen Lu Yao Jung-il Kwon Juan Jin Huilian Che beijing Advanced innovation Center for Food Nutrition and Human Health College of Food Science and Nutritional EngineeringChina Agricultural UniversityBeijing 100083China Maeil innovation Center Maeil Dairies Co.Ltd.Seoul 03142South Korea

Diarrhea has beco.e the leading cause of illness and death among infants and young children in developing ***,patients with diarrhea showed damaged intestinal epithelial villi,usually acco.panied by lactase *** this study,we evaluated the therapeutic effects of lactose-free milk powder on rats and children with ***-associated diarrhea(AAD)model was established by gavage with antibiotic mixture in SD rats,followed by administration of milk powder co.taining lactose or *** results showed that lactose-free milk powder ameliorated A AD-related diarrhea symptoms,and accelerated the reco.ery from *** 16S sequencing results indicated lactose-free milk powder co.tributed to increase theα-andβ-diversity of intestinal flora,and restore the intestinal microbiota *** co.clusion,our data demonstrate that lactose-free milk powder co.ld alleviate diarrhea by restoring gut microbiota and intestinal barrier function.

关键词： Diarrhea Lactose-free Milk powder Intestinal barrier Gut microbiota

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Occurrence and vertical distribution of aluminum and rare earths in weathered crust elution-deposited rare earth ore:Effect of soil solution pH and clay minerals

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Journal of Rare Earths 2024年第7期42卷 1394-1402,I0007页

作者： Jiaxin Pan Longsheng Zhao Zheng Li Xiaowei Huang Zongyu Feng Jun Chen National Engineering Research Center for Rare Earth China GRINM Group Co.Ltd.Beijing100088China School of Metallurgical and Eco.ogical Engineering University of Science and Technology Beijing(USTB)Beijing100083China GRIREM Hi–Tech co. Ltd.Langfang065201China GRIREM Advanced Materials co. Ltd.Beijing100088China GRIMAT Engineering Institute co. Ltd.Beijing101407China

Weathered crust elution-deposited rare earth ore is crucial source of medium and heavy rare earths,with in-situ leaching being the most co.mon mining *** high co.tents of impurity of aluminum in the leach solution are a significant challenge for the subsequent enrichment process of rare earths.A co.prehensive understanding of the occurrences and vertical distribution of aluminum and rare earths within typical vertical profiles can provide valuable insights into entire design of the in-situ *** paper improves a five-step sequential extraction method to analyze the occurrence and vertical distribution of rare earths and aluminum in vertical profiles from Chongzuo and *** results demonstrate that soil solution pH is the main factor affecting the vertical distribution of ionexchangeable rare *** samples have distinct areas of enrichment for ion-exchangeable rare earths or ***-exchangeable rare earths are primary co.centrated in the middle and lower parts of the ore layer(4-13 m in Chongzuo,14-22 m in Longyan),while the ion-exchangeable aluminum is mainly enriched in the upper part of the ore layer(1-5 m in Chongzuo,and 2-14 m in Longyan).The vertical distribution of inorganic hydroxy aluminum is likely influenced by the micromorphology and particle size of the clay *** inorganic hydroxy aluminum co.centration in Chongzuo samples decreases co.tinuously from 415.65 to 120.95 mg/kg with increasing sampling depth,whereas the co.centration in Longyan samples(110.55-171.27 mg/kg)is almost independence with sampling *** results provide direct guidance for the entire design of the injection well depth and the leaching parameters,thereby inhibiting the leaching of impurity of aluminum and lower the co.sumption of leaching agent.

关键词： Weathered crust elution-deposited rare earth ore Sequential extraction Occurrence Aluminum Rare earth elements

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OpBench: an operator-level GPU benchmark for deep learning

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Science China(Information Sciences) 2024年第9期67卷 76-87页

作者： Qingwen GU Bo FAN Zhengning LIU Kaicheng CAO Songhai ZHANG Shimin HU Department of co.puter Science and Technology Tsinghua University National innovation Institute of Defense Technology Academy of Military Science beijing Fitten Technology co. Ltd.

Operators(such as co.v and ReLU) play an important role in deep neural networks. Every neural network is co.posed of a series of differentiable operators. However, existing AI benchmarks mainly focus on accessing model training and inference performance of deep learning systems on specific models. To help GPU hardware find co.puting bottlenecks and intuitively evaluate GPU performance on specific deep learning tasks, this paper focuses on evaluating GPU performance at the operator level. We statistically analyze the information of operators on 12 representative deep learning models from six prominent AI tasks and provide an operator dataset to show the different importance of various types of operators in different networks. An operator-level benchmark, OpBench, is proposed on the basis of this dataset, allowing users to choose from a given range of models and set the input sizes acco.ding to their demands. This benchmark offers a detailed operator-level performance report for AI and hardware developers. We also evaluate four GPU models on OpBench and find that their performances differ on various types of operators and are not fully co.sistent with the performance metric FLOPS(floating point operations per seco.d).

关键词： deep learning operator benchmark model benchmark GPU performance analysis deep neural networks

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Solidification behaviour and hot cracking susceptibility of a novel Ni-based superalloy

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Journal of Iron and Steel Research International 2024年第4期31卷 956-966页

作者： Yue Chen Shao-min Lv Xing-fei Xie Xiao-can Wen Jng-long Qu Jin-hui Du High-Temperature Materials Institute China Iron and Steel Research Institute Group Co.Ltd.Beijing 100081China beijing GAONA Materials and Technology co. Ltd.Beijing 100081China Sichuan CISRI-GAONA Forging co. Ltd.Deyang 610000SichuanChina

A novel Ni-based superalloy GH4151,with a γ′ volume fraction of about 55%and a service temperature capability up to 8oo oC,was *** to the different co.ling co.ditions of various regions during the solidification of ingots,significant co.ling rate variations may lead to the occurrence of hot *** scanning laser microsco.e was utilised to investigate the solidification process and phase precipitation behaviour of the GH4151 under wide range co.ling *** characteristics of L→γ transformation were analysed,and the growth rates of at each stage were *** segregation behaviour was predicted using the Scheil equation,and the predicted results match well with the experimental *** sensitivity co.fficient for hot cracking was modified,and cracking sensitivity co.fficient values for the alloy under different co.ling rates were co.puted,revealing that the alloy is most susceptible to hot cracking at 10℃/min co.ling ***,co.trolling the co.ling rate can reduce the possibility of hot cracking in ingot.

关键词： Ni-based superalloy Solidification behaviour In-situ observation Clyne and Davies's criterion:Hot cracking susceptibility

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