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Atomistic mechanism of high ionic conductivity 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 commercial 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 countless researchers around the world because of their high safety and high energy *** recent times,halide solid-state electrolytes have become 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 conductivity 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 account,which is supported by the experimental ***,it is expected that because of the Yb/Li synergistic interactions that,due to their strong mutual coulomb repulsion,influence the Li^(+)transport behavior,the orthorhombic Li_(3)YbCl_(6) might have superior ionic conductivities with appropriate Li+migration paths determined by the Yb^(3+) ***,higher ionic conductivities can be obtained by regulating the random distribution of Li^(+) *** Li^(+)-deficiency can also largely increase the ionic conductivity by invoking *** study helps gain a deeper understanding of the laws that govern ionic conductivities 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 conductivity First-principles calculations Rare earths

Data and Model Driven Task Offloading Strategy in the Dynamic Mobile Edge computing System

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Journal of Systems Science & complexity 2024年第1期37卷 351-368页

作者： DONG Hairong WU Wei SONG Haifeng LIU Zhen ZHANG Zixuan School of Electronic and Information Engineering Beijing Jiaotong UniversityBeijing 100044China School of Electronic and Information Engineering BeiHang UniversityBeijing 100191China CRSC Research&Design Institute group co. Ltd.Beijing 100070China

Mobile Edge computing(MEC)provides communication and computational capabilities for the industrial Internet,meeting the demands of latency-sensitive ***,traditional model-driven task offloading strategies face challenges in adapting to situations with unknown network communication status and computational *** limitation becomes notably significant in complex industrial networks of high-speed *** by these considerations,a data and model-driven task offloading problem is proposed in this paper.A redundant communication network is designed to adapt to anomalous channel states when tasks are offloaded to edge *** link switching mechanism is executed by the train according to the attributes of the completed *** task offloading optimization problem is formulated by introducing data-driven prediction of communication states into the traditional ***,the optimal strategy is achieved by employing the informer-based prediction algorithm and the quantum particle swarm optimization method,which effectively tackle real-time optimization problems due to their low time *** simulations illustrate that the data and model-driven task offloading strategy can predict the communication state in advance,thus reducing the cost of the system and improving its robustness.

关键词： Data driven model informer mobile edge computing quantum particle swarm optimization task offloading.

Effect of slow shot speed on externally solidified crystal,porosity and tensile property in a newly developed high-pressure die-cast Al-Si alloy

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China Foundry 2024年第1期21卷 11-19页

作者： Wen-ning Liu Wei Zhang Peng-yue Wang Yi-xian Liu Xiang-yi Jiao Ao-xiang Wan Cheng-gang Wang Guo-dong Tong Shou-mei Xiong School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China Key Laboratory for Advanced Materials Processing Technology Tsinghua UniversityBeijing 100084Beijing China FAW group co. Ltd.Changchun 130013China China FAW Foundry co. Ltd.Changchun 130013China

The effect of slow shot speed on externally solidified crystal(ESC),porosity and tensile property in a newly developed high-pressure die-cast Al-Si alloy was investigated by optical microscopy(OM),scanning electron microscopy(SEM)and laboratory computed tomography(CT).Results showed that the newly developed AlSi9MnMoV alloy exhibited improved mechanical properties when compared to the AlSi10MnMg *** AlSi9MnMoV alloy,which was designed with trace multicomponent additions,displays a notable grain refining effect in comparison to the AlSi10MnMg *** elements Ti,Zr,V,Nb,B promote heterogeneous nucleation and reduce the grain size of primaryα-*** a lower slow shot speed,the large ESCs are easier to form and gather,developing into the dendrite net and *** an increase in slow shot speed,the size and number of ESCs and porosities significantly *** addition,the distribution of ESCs is more dispersed and the net-shrinkage *** tensile property is greatly improved by adopting a higher slow shot *** ultimate tensile strength is enhanced from 260.31 MPa to 290.31 MPa(increased by 11.52%),and the elongation is enhanced from 3.72%to 6.34%(increased by 70.52%).

关键词： hypoeutectic Al-Si alloy high pressure die casting porosity externally solidified crystal tensile property

Properties and microstructure of copper–titanium alloys with magnesium additions

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Rare Metals 2024年第5期43卷 2290-2299页

作者： Lue Huang Li-Jun Peng Jiang Li Xu-Jun Mi Gang Zhao Guo-Jie Huang Hao-Feng Xie Yi-Cheng Cao Wen-Jing Zhang Zhen Yang State Key Laboratory of Nonferrous Metals and Processes GRINM Group Co.Ltd.Beijing 100088China GRIMAT Engineering Institute co. LtdBejing 101407China School of Materials Science and Engineering Northeastern UniversityShenyang110000China General Research Institute for Nonferrous Metals Beijing 100088China China Academy of Space Technology Beijing 100094China China Nonferrous Metals Mining group(Tianjin)co.ltd Tianjin 3001llChina

The volume fractions and morphology of precipitates in precipitation-strengthened Cu-Ti alloys,which precipitate mainly as continuous and discontinuous precipitates,are important for the application of the *** study employed hardness and electrical conductivity tests transmission electron microscopy(TEM),atom probe tomography(APT),and first-principles calculations to demonstrate that the addition of Mg is effective for accelerating nanosized continuousβ'-Cu_(4)Ti precipitation as well as for suppressing the precipitation of coarse lamellar discontinuousβ-Cu_(4)Ti precipitates along the grain boundaries,resulting in Cu-Ti alloys with high yield strength and good electrical *** results showed that the continuous precipitation ofβ'-Cu_(4)Ti was accelerated by the Mg additions,which reduced the supersaturation of the matrix,thereby reducing the chemical driving force for the discontinuous *** the other hand,Mg additions increased the mismatch between the discontinuousβ-Cu_(4)Ti precipitates and matrix decreased the nucleation rate of the discontinuous precipitates,and increased the spacing of the discontinuous precipitation layer,resulting in a lower growth rate of the discontinuous ***,the addition of Mg to Cu-Ti alloys enhances the strength and improves the resistance to over-ageing.

关键词： Cu-Ti-Mg alloy Precipitation hardening Discontinuous precipitation continuous precipitation Microstructure formation mechanism

Utilization of recycled solid waste as ecological reclamation materials based on plant growth experiments and soil quality analysis

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Journal of Mountain Science 2024年第3期21卷 820-834页

作者： QIN Xiaochun NI Anchen YANG Dongxiao XING Wenhu LIU Shiliang college of Civil Engineering Beijing Jiaotong UniversityBeijing 100044China Shanxi Road&Bridge construction group co. LtdShanxi 030006China School of Environment Beijing Normal UniversityBeijing 111875China

During the highway construction,a large number of spoil areas will be generated while a large amount of waste slag and soil could not be rationally ***,the vegetation recovery is slow in the spoil areas due to the soil *** at recycling the solid waste,the sieved engineering waste slag with local red clay and corn straw biochar was supplied to solve the problem of insufficient nutrients in engineering waste slag and *** addition,planting experiments of alfalfa(Medicago sativa L.)and Amorpha fruticosa *** with physical and chemical experiments were carried out to prove the feasibility of the novel improved substrate for the reclamation of spoil *** results show that the substrate's improvement effect is mainly affected by the soil to slag ratio and the biochar *** improvement effect of soil matrix in highway spoil area decreases with the increase of the waste slag content,especially when the soil-slag ratio is less than 3,and the promotion of plants is *** the contrary,the improvement effect is proportional to the biochar content(3%-8%).But it is noted that the Cu and Pb in the soil will exceed the clean limit corresponding to the Nemero soil pollution index level when the biochar content is 8%.Therefore,it is recommended that the soil-slag ratio should be≥3,and the biochar content should reach 3%-5%.This research provides experimental basis and technical support for utilizing solid waste resources in the reclamation of highway spoil areas.

关键词： Highway Spoil area Waste slag Modified soil Ecological reclamation

Enhancing XRF sensor-based sorting of porphyritic copper ore using particle swarm optimization-support vector machine(PSO-SVM)algorithm

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International Journal of Mining Science and Technology 2024年第4期34卷 545-556页

作者： Zhengyu Liu Jue Kou Zengxin Yan Peilong Wang Chang Liu Chunbao Sun Anlin Shao Bern Klein School of Civil and Resources Engineering University of Science and TechnologyBeijing 100083China Institute of Minerals Research University of Science and TechnologyBeijing 100083China State Key Laboratory of Mineral Processing Beijing 102628China Ansteel group Mining co.ltd. Anshan 114000China Norman B.Keevil Institute of Mining Engineering University of British ColumbiaVancouverBC V6T 1Z4Canada

X-ray fluorescence(XRF)sensor-based ore sorting enables efficient beneficiation of heterogeneous ores,while intraparticle heterogeneity can cause significant grade detection errors,leading to misclassifications and hindering widespread technology *** classification models are crucial to determine if actual grade exceeds the sorting threshold using localized XRF *** studies mainly used linear regression(LR)algorithms including simple linear regression(SLR),multivariable linear regression(MLR),and multivariable linear regression with interaction(MLRI)but often fell short attaining satisfactory *** study employed the particle swarm optimization support vector machine(PSO-SVM)algorithm for sorting porphyritic copper ore ***-scale results showed PSO-SVM out-performed LR and raw data(RD)models and the significant interaction effects among input features was *** poor input data quality,PSO-SVM demonstrated exceptional ***-scale sorting achieved 93.0%accuracy,0.24%grade increase,84.94%recovery rate,57.02%discard rate,and a remarkable 39.62 yuan/t net smelter return(NSR)increase compared to no *** improvements were achieved by the PSO-SVM model with optimized input combinations and highest data quality(T=10,T is XRF testing times).The unsuitability of LR methods for XRF sensor-based sorting of investigated sample is *** element selection and mineral association analysis elucidate element importance and influence mechanisms.

关键词： XRF sensor-based sorting PSO-SVM algorithm copper ore pebble Receiver operating curve(ROC) Net smelter return(NSR)

Milling degree affects the fermentation properties of rice:perspectives from the composition of nutrients and gut microbiota via in vitro fermentation

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Food Science and Human Wellness 2024年第3期13卷 1578-1588页

作者： Yu Zhang Fan Li Shutong Pan Bing Bai Kai Huang Sen Li Hongwei Cao Tian Xie Jian Xie Xiao Guan School of Health Science and Engineering University of Shanghai for Science and TechnologyShanghai 200093China National Grain Industry(Urban Grain and Oil Security)Technology Innovation Center Shanghai 200093China Nutrition&Health Research Institute co.ltd. COFCO CorporationBeijing 102209China China Grain Wuhan Scientific Research&Design Institute co.ltd. Wuhan 430079China

Fermentation substrates of rice with different milling degrees(MDs) were prepared and fermented with human feces to compare their fermentation properties and effects on gut *** 0s,MD 5s and MD 60s represented brown rice,moderately-milled rice and white rice,*** in vitro fermentation,the MD 5s group showed higher starch utilization,compared with the MD 0s and 60s groups evaluated by Fourier transform infrared spectrometer,and confocal laser scanning *** of fermentation substrates of rice with different MDs on gut microbiota were evaluated by 16S rDNA *** the sample groups reduced the pH and produced short-chain fatty acids(SCFAs) and branched-chain fatty *** MD 5s group exhibited higher α-diversity than the MD 0s and 60s *** of Phascolarctobacterium,Blautia and norank_f_Ruminococcaceae were higher in the MD 0s and 5s groups,compared with the MD 60s *** bacteria were also positively correlated with the SCFAs production via Spearman correlation *** vitro culture assay revealed that fermentation substrates of MD 0s and 5s promoted the growth of two probiotics(Akkermansia muciniphila and Bifidobacterium adolescentis).Our results showed that moderate milling might be an appropriate way to produce rice products with richer nutrients and better fermentation properties.

关键词： Rice processing Milling Whole grains Gut microbiota

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 collaborative Innovation Center for Steel commonality University of Science and Technology BeijingBeijing 100083China construction 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,coarse-grained,fine-grained,intercritical,and sub-critical *** microstructure of the weld zone is mainly composed of bainitic ferrite and a small amount of granular bainite;however,the original austenite grains are distributed in the columnar *** structure of the coarse-grained zone is similar to that of the weld zone,but the original austenite grains are *** contrast,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)constituents are present in island chains along the grain boundaries,and the coarse size of the M/A constituents 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 columnar 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 constituent High-strength low-alloy steel weld Heat-affected zone

Propagation form of internal cracks induced by continuous casting soft reduction and control strategy for internal quality

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Journal of Iron and Steel Research International 2024年第3期31卷 622-633页

作者： Pu Wang Liang Chen Qun-wei Tang Wei-tao Li Shao-xiang Li Jia-quan Zhang School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China Weifang Special Steel group co..ltd. Weifang 262400ShandongChina School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China

The propagation form of internal cracks induced by continuous casting soft reduction and the control strategy for enhancing the internal quality of 45 steel through industrial trials and a three-dimensional flow-heat transfer-solidification coupling model were *** results showed that the internal cracks induced by soft reduction exhibited a characteristic of being"coarse in the middle and fine at both ends",and displayed an elliptical arc distribution on the loose side of the strand cross *** cracks originated within the brittle temperature range and propagated inward to the liquid impenetrable temperature and outward to the zero ductility temperature or *** control strategy for enhancing the internal quality of the 45 steel strand through soft reduction is to adjust the casting speed or the reduction zone appropriately,ensuring that the central solid fraction of the reduction zone falls within the range of *** this point,a reasonable reduction amount is allocated to eliminate the center shrinkage cavities and center segregation,even if it results in minor reduction-induced cracks.

关键词： continuous casting Soft reduction Crack propagation Internal quality control strategy