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An active learning workflow for predicting hydrogen atom adsorption energies on binary oxides based on local electronic transfer features

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Green Energy & Environment 2024年第10期9卷 1489-1496页

作者： Wenhao Jing Zihao Jiao Mengmeng song ya liu liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Department of Energy and Power Engineering Shandong University of Technology

Machine learning combined with density functional theory（DFT） enables rapid exploration of catalyst descriptors space such as adsorption energy, facilitating rapid and effective catalyst screening. However, there is still a lack of models for predicting adsorption energies on oxides,due to the complexity of elemental species and the ambiguous coordination environment. This work proposes an active learning workflow（Le NN） founded on local electronic transfer features（e） and the principle of coordinate rotation invariance. By accurately characterizing the electron transfer to adsorption site atoms and their surrounding geometric structures, Le NN mitigates abrupt feature changes due to different element types and clarifies coordination environments. As a result, it enables the prediction of *H adsorption energy on binary oxide surfaces with a mean absolute error（MAE） below 0.18 e V. Moreover, we incorporate local coverage（θl） and leverage neutral network ensemble to establish an active learning workflow, attaining a prediction MAE below 0.2 e V for 5419 multi-*H adsorption structures. These findings validate the universality and capability of the proposed features in predicting *H adsorption energy on binary oxide surfaces.

关键词： Machine learning Adsorption energy Binary oxide Electron transfer Active learning

Two-dimensional silica enhanced solid polymer electrolyte for lithium metal batteries

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Particuology 2024年第2期85卷 146-154页

作者： Zhihong Luo Weiyong li Chong Guo ya song Mingxia Zhou yan Shi Jing Xu Long li Bin Shi Quansheng Ouyang Jiao-jing Shao Guangmin Zhou School of Materials and Metallurgy Guizhou UniversityGuiyang550025China State Key Laboratory of Advanced Chemical Power Sources Zunyi563003China Graphene Materials Engineering Research Center of Guizhou Colleges and Universities Guiyang550025China Tsinghua-Berkeley Shenzhen Institute&Tsinghua Shenzhen International Graduate Schoo Tsinghua UniversityShenzhen518055China

Solid polymer electrolytes(SPEs)are promising substitutes for current flammable liquid electrolytes to achieve high-safety and high-energy-density lithium metal *** oxide(PEO)based solid polymer electrolytes have attracted increasing attention because of their excellent flexibility,manufacturability,light weight,and low-cost processing,while they often suffer from low ionic con-ductivity at room temperature,low lithium transference number and unsatisfactory interfacial resis-tance,which largely restrain their practical ***,two-dimensional holey silica nanosheets(2D-HSN)as the fillers,together with liNO_(3) as the electrolyte additive,are introduced in a PEO/poly(-vinylidene fiuoride-co-hexafluoropropylene)(PVDF-HFP)blended polymer matrix to obtain a *** incorporation of HSN filler creates supplementary channels for lithium ion migration and lowers the crystallinity of the polymer,thereby facilitating the movement of lithium *** HSN-based SPE demonstrates higher ionic conductivity up to 3.7 x 10-4 S cm-1 at 30℃,larger li+transference number close to 0.34,and more stable lithium plating/stripping than that without the fillers,and HSN can promote the formation of more stable solid electrolyte interphase(SEI)*** as-assembled liFePO4||li batteries deliver a high specific capacity of 159 mA h g-1 with the capacity retention of 95.5%after 200 cycles at 30℃,as well as superior rate performance and cycling stability compared to that using the blank SPE.

关键词： Vermiculite nanosheets Two-dimensional silica Solid polymer electrolytes Fillerslithium metal batteries

Study on a probabilistic algorithm for the forming and 3D characterization of special-shaped surfaces under profile grinding

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Advances in Manufacturing 2024年第2期12卷 288-299页

作者： Zhao-Qing Zhang Kai-Ning Shi yao-yao Shi Yi-Hui song Zhe He ya-song Pu School of Mechanical Engineering Northwestern Polytechnical UniversityXi’an710072People’s Republic of China Key Laboratory of High Performance Manufacturing for Aero Engine(Northwestern Polytechnical University) Ministry of Industry and Information TechnologyXi’an710072People’s Republic of China Engineering Research Center of Advanced Manufacturing Technology for Aero Engine(Northwestern Polytechnical University) Ministry of EducationXi’an710072People’s Republic of China

Profile grinding is the most crucial method for the ultra-precision machining of special-shaped ***,profile grinding produces a unique machining profile,and many random factors in the machining process lead to complex surface *** this study,the structural and probabilistic characteristics of the profile grinding of a special-shaped surface were analyzed,and a probabilistic algorithm for the forming and 3D characterization of special-shaped surfaces under profile grinding was *** forming process of a GH738 blade tenon tooth surface was considered as an example to demonstrate the *** comparison results showed that the simulation results had similar surface characteristics to the measurement results,and the relative error range of the 3D roughness parameter was 0.21%–19.76%,indicating an accurate prediction and characterization of the complex special-shaped surface under the action of multiple factors.

关键词： Special-shaped surface Profile grinding Surface morphology 3D characterization

Chinese Medicine Combined with Adjuvant Chemotherapy for Improving Myelosuppression in Colorectal Cancer Patients:A Systematic Review and Network Meta-Analysis

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Chinese Journal of Integrative Medicine 2024年第7期30卷 643-652页

作者： li Rui ZHANG Tong yaN Shao-hua yaN Yun-zi DING ya-cong WANG yan-song yaNG Yu-fei Department of Oncology China Academy of Chinese Medical SciencesXiyuan HospitalBeijing100091China Department of Oncology Dongfang Hospital Beijing University of Chinese MedicineBeijing100078China Graduate School Beijing University of Chinese MedicineBeijing100029China

Objective To assess the effectiveness of Chinese herbal medicine(CHM)combined with adjuvant chemotherapy on myelosuppression for colorectal cancer(CRC)patients using network meta-analysis(NMA).Methods literature searches in both international(PubMed,Embase,Web of Science,and Cochrane library)and Chinese(China Science and Technology Journal Database,Wanfang Data,China National Knowledge Infrastructure)databases for relevant randomized controlled trials(RCTs)were conducted from inception until October 10,*** included RCTs of patients who received CHM combined with chemotherapy,including FOLFOX,XELOX,FOLFIRI,and other relevant regimens in the CHM treatment *** outcomes included the incidence of myelosuppression,leukopenia,hemoglobin reduction,and *** reviewers independently screened the databases,extracted the data,and assessed the risk of bias and credibility of *** 5.4.1 software and STATA 14.0 were used to perform the *** A total of 31 RCTs were included,published from 2008 to 2021 in *** these,2,314 participants comparing the following 9 CHMs were identified:Shengbai Recipe(SBR),Bazhen Decoction(BZD),Jianpi Jiedu Recipe(JJR),Jianpi Recipe(JR),Compound Cantharis Capsule(CCC),Zaofan Pill(ZFP),Guilu Erxian Gel(GL),Buzhong Tiaogan Decoction(BZ),and Qiamagu Capsule(QM).The results of NMA found an indirect *** on the surface under the cumulative ranking curve(SUCRA),the ZFP+chemotherapy group had the lowest incidence of myelosuppression,with an odds ratio(OR)of 0.08[95%confidence interval(CI):0.01,0.76],whereas the GL+chemotherapy group had the lowest incidence of leukopenia,hemoglobin reduction,and thrombocytopenia,with an OR of 5.25(95%CI:2.41,11.43),4.66(95%CI:2.23,9.72),and 0.27(95%CI:0.13,0.54),***,BZD+chemotherapy could alleviate leukopenia,hemoglobin reduction,and thrombocytopenia(P<0.01).Pairwise comparison showed that there was no difference in the efficacy among the 8 CHMs+c

关键词： Chinese herbal medicine colorectal cancer network meta-analysis systematic review myelosuppression chemotherapy

Plastic deformation behavior of a Cu-10Ta alloy under strong impact loading

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Defence Technology（防务技术） 2024年第2期32卷 368-382页

作者： Ping song Jianghai liu Wenbin li Yiming li Research Institute of Chemical Defense Academy of Military ScienceBeijing102205China Ministerial Key Laboratory of ZNDY Nanjing University of Science and TechnologyNanjing210094China

In this work,a Cu-10Ta alloy with a copper to tantalum mass ratio of 9:1 is prepared using powder metallurgy *** properties of the alloy,including density,microstructure,melting point,and constant-volume specific heat,are *** the split Hopkinson pressure bar(SHPB)and flyerplate impact experiments,the relationship between equivalent stress and equivalent plastic strain of the material is studied at temperatures of 298-823 K and under strain rates of 1×10^(-3)-5.2×10^(3)s^(-1),and the Hugoniot relationship at impact pressures of 1.46-17.25 GPa and impact velocities of 108-942 m/s is *** of the Cu-10Ta microstructure that occurs during high-strain-rate impact is *** indicate that the Cu-10Ta alloy possesses good thermal stability,and at ambient temperatures of up to 50%its melting point,stress softening of less than 15%of the initial strength is observed.A modified J-C constitutive model is employed to accurately predict the variation of yield strength with strain *** strong impact,the copper phase is identified as the primary source of plastic deformation in the Cu-10Ta alloy,while significant deformation of the high-strength tantalum particles is less ***,the longitudinal wave speed D is found to correlate linearly with the particle velocity u upon strong *** reveals that the sound speed and spallation strength of the alloy increase with increasing impact pressure.

关键词： Cu-10Ta SHPB Plastic deformation Flyer impact Hugoniot relationship

METTL5 promotes gastric cancer progression via sphingomyelin metabolism

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World Journal of Gastrointestinal Oncology 2024年第5期16卷 1925-1946页

作者： ya-Qiong Zhang Jian li Zhe Qin De-Ming li Fang-Zhou Ye song-Hua Bei Xiao-Hong Zhang li Feng Endoscopy Center Minhang Hospital Affiliated to Fudan UniversityShanghai 201100China

BACKGROUND The treatment of gastric cancer(GC)has caused an enormous social burden *** studies have reported that N6-methyladenosine(m6A)is closely related to tumor ***5 is a m6A methyltransferase that plays a pivotal role in maintaining the metabolic stability of ***,its aberrant regulation in GC has not been fully *** To excavate the role of METTL5 in the development of *** METTL5 expression and clinicopathological characteristics were analyzed via The Cancer Genome Atlas dataset and further verified via immunohistochemistry,western blotting and real-time quantitative polymerase chain reaction in tissue microarrays and clinical *** tumor-promoting effect of METTL5 on HGC-27 and AGS cells was explored in vitro by Cell Counting Kit-8 assays,colony formation assays,scratch healing assays,transwell assays and flow *** tumor-promoting role of METTL5 in vivo was evaluated in a xenograft tumor *** EpiQuik m6A RNA Methylation Quantification Kit was used for m6A ***,liquid chromatography-mass spectrometry was used to evaluate the association between METTL5 and sphingomyelin metabolism,which was confirmed by Enzyme-linked immunosorbent assay and rescue *** addition,we investigated whether METTL5 affects the sensitivity of GC cells to cisplatin via colony formation and transwell *** Our research revealed substantial upregulation of METTL5,which suggested a poor prognosis of GC *** METTL5 expression indicated distant lymph node metastasis,advanced cancer stage and pathological *** increased level of METTL5 correlated with a high degree of m6A ***5 markedly promotes the proliferation,migration,and invasion of GC cells in ***5 also promotes the growth of GC in animal ***5 knockdown resulted in significant changes in sphingomyelin metabolism,which implies that METTL5 may impact the development of GC via sphin

关键词： Gastric cancer METTL5 Sphingomyelin metabolism Cisplatin

Experimental study on combustion characteristics of supersonic combustor based on alternating-wedge strut

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Chinese Journal of Aeronautics 2024年第5期37卷 214-227页

作者： Jie li Wenyan song Yuhang WANG School of Power Energy Northwestern Polytechnical UniversityXi’an 710129China

Acetone Planar Lase-Induced Fluorescence(PliF)and OH-PliF were employed to capture the fuel distribution and OH distribution downstream for the supersonic combustor based on the alternating-wedge *** combustion establishment process and combustion mode in the combustor under different fuel injection methods and different equivalence ratios were *** with the kerosene-PliF and OH-PliF results in the cavity combustor,a comparative analysis was conducted to understand the combustion characteristics and combustion modes between the alternating-wedge strut-based combustor and the cavity-based *** results show that the combustor is in weak combustion mode in the case of low equivalence ratio,and the combustor is in intensive combustion mode in the case of high equivalence *** lower limit of the equivalence ratio of the combustor to maintain the intensive combustion mode varies based on different fuel injection *** OH distribution under reacting condition has a strong correlation with the fuel distribution under non-reacting *** OH fluorescence signal near the injector is weaker when the fuel distribution is more *** injector position located at the base of the strut rear has better mixing performance,enabling the combustor to be in intensive combustion mode at a lower equivalence *** combustion reaction in the alternating-wedge strut-based combustor is not necessarily dominated by mass transfer due to the mixing enhancement and premixed zone downstream of strut,while the combustion reaction process in the cavity-based combustor is mainly influenced by mass transfer.

关键词： Supersonic combustor Alternating-wedge strut Cavity PliF Fuel injection Fuel distribution Combustion characteristics Combustion mode

Achieving Given Precision Within Prescribed Time yet With Guaranteed Transient Behavior via Output Based Event-Triggered Control

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IEEE/CAA Journal of Automatica Sinica 2024年第10期11卷 2059-2067页

作者： Zeqiang li Yujuan Wang Yongduan song International Joint Laboratory on Safety and Control of Autonomous Unmanned Systems School of AutomationChongqing UniversityChongqing 400044China IEEE

It is interesting yet nontrivial to achieve given control precision within user-assignable time for uncertain nonlinear *** underlying problem becomes even more challenging if the transient behavior also needs to be accommodated and only system output is available for *** key design innovations are proposed to circumvent the aforementioned technical difficulties,including the employment of state estimation filters with event-triggered mechanism,the construction of a novel performance scaling function and an error *** contrast to most existing performance based works where the stability is contingent on initial conditions and the maximum allowable steady-state tracking precision can only be guaranteed at some unknown(theoretically infinite)time,in this work the output of the system is ensured to synchronize with the desired trajectory with arbitrarily pre-assignable convergence rate and arbitrarily pre-specified precision within prescribed time,using output only with lower cost of sensing and *** addition,all the closed-loop signals are ensured to be globally uniformly bounded under the proposed control *** merits of the designed control scheme are confirmed by numerical simulation on a ship model.

关键词： Adaptive control nonlinear systems output feedback prescribed performance

High-lattice-adapted surface modifying Na_(4)MnV(PO_(4))_(3) for better sodium storage

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Nano Research 2024年第4期17卷 2728-2735页

作者： Chongran song Shiyu li Ying Bai International Joint Research Laboratory of New Energy Materials and Devices of Henan Province School of Physics and ElectronicsAcademy for Advanced Interdisciplinary StudiesHenan UniversityKaifeng 475004China

Sodium-ion batteries(SIBs)are required to possess long cycle life when used for large-scale energy *** polyanionic Na_(4)MnV(PO_(4))_(3)(NMVP)reveals good cyclic stability due to its unique three-dimensional(3D)frame structure,but it still faces the challenge of interfacial degradation in practical *** this work,NASICON-type Na_(1.3)Al_(0.7)Ti_(1.3)(PO_(4))_(3)(NATP)was deposited on the surface of NMVP to promote interface stability by surface modification and gradient *** a result,the optimized NMVP@2%NATP released a capacity retention of 44.8%after 1000 cycles at 5 C,much higher than that of the initial NMVP(28.9%).The enhanced electrochemical performance was mainly attributed to NATP coating acting as a fast ion transport carrier and physical barrier,significantly facilitating the Na^(+)diffusion and isolating side reaction at the electrode/electrolyte *** the other hand,Ti_(4)^(+)and Al^(3+)cations from the NATP were partially doped inside the NMVP surface to boost the transport of Na^(+),and the perfect lattice matching of NVMP and NATP improved the interface and structural stability accompanying long *** work demonstrated the effectiveness of surface modification with high lattice match material and provided new perspectives for high energy density solid-state SIBs.

关键词： high-lattice-adapted cathode surface modification sodium-ion batteries