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Roaming Dynamics of H+C_(2)D_(2) Reaction on Fundamental-Invariant Neural Network Potential Energy Surface

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Chinese Journal of Chemical Physics 2022年第2期35卷 295-302,I0002页

作者： yuyao bai Yan-Lin Fu Yong-Chang Han Bina Fu Dong HZhang State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Physics Dalian University of TechnologyDalian 116024China

We performed extensive quasiclassical trajectory calculations for the H+C_(2)D_(2)→HD+C_(2)D/D_(2)+C_(2)H reaction based on a recently developed,global and accurate potential energy surface by the fundamental-invariant neural network *** direct abstraction pathway plays a minor role in the overall reactivity,which can be negligible as compared with the roaming *** acetylenefacilitated roaming pathway dominates the reactivity,with very small contributions from the vinylidene-facilitated *** the roaming pathways proceed via the short-lived or long-lived complex forming process,the computed branching ratio of product HD to D_(2) is not far away from 2:1,implying roaming dynamics for this reaction is mainly contributed from the long-lived complex-forming *** resulting angular distributions for the two product channels are also quite *** computational results give valuable insights into the significance and isotope effects of roaming dynamics in the biomolecular reactions.

关键词： Roaming dynamics Acetylene Vinylidene Isotope effects

Identity-based searchable attribute signcryption in lattice for a blockchain-based medical system

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Frontiers of Information Technology & Electronic Engineering 2024年第3期25卷 461-471页

作者： Huifang YU Xiaoping bai School of Cyberspace Security Xi'an University of Posts&TelecommunicationsXi'an 710121China School of Information Engineering Qinghai Communications Technical CollegeXining 810003China

Electronic healthcare systems can offer convenience but face the risk of data forgery and information *** solve these issues,we propose an identity-based searchable attribute signcryption in lattice for a blockchain-based medical system(BCMS-LIDSASC).BCMS-LIDSASC achieves decentralization and anti-quantum security in the blockchain environment,and provides fine-grained access control and ***,smart contracts are used to replace traditional trusted third parties,and the interplanetary file system(IPFS)is used for ciphertext storage to alleviate storage pressure on the *** to other schemes,BCMS-LIDSASC requires smaller key size and less storage,and has lower computation *** contributes to secure and efficient management of medical data and can protect patient privacy and ensure the integrity of electronic healthcare systems.

关键词： Blockchain Identity-based searchable attribute signcryption Distributed storage NTRU lattice

A novel efficient energy absorber with free inversion of a metal foam-filled circular tube

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Applied Mathematics and Mechanics(English Edition) 2024年第1期45卷 1-14页

作者： Jianxun ZHANG Jinwen bai State Key Laboratory for Strength and Vibration of Mechanical Structures School of Aerospace EngineeringXi'an Jiaotong UniversityXi'an 710049China

In this paper, a novel efficient energy absorber with free inversion of a metal foam-filled circular tube(MFFCT) is designed, and the axial compressive behavior of the MFFCT under free inversion is studied analytically and numerically. The theoretical analysis reveals that the energy is mainly dissipated through the radial bending of the metal circular tube, the circumferential expansion of the metal circular tube, and the metal filled-foam compression. The principle of energy conservation is used to derive the theoretical formula for the minimum compressive force of the MFFCT over free inversion under axial loading. Furthermore, the free inversion deformation characteristics of the MFFCT are analyzed numerically. The theoretical steady values are found to be in good agreement with the results of the finite element(FE) analysis. The effects of the average diameter of the metal tube, the wall thickness of the metal tube, and the filled-foam strength on the free inversion deformation of the MFFCT are considered. It is observed that in the steady deformation stage, the load-carrying and energy-absorbing capacities of the MFFCT increase with the increase in the average diameter of the metal tube, the wall thickness of the metal tube, or the filled-foam strength. The specific energy absorption(SEA) of free inversion of the MFFCT is significantly higher than that of the metal tube alone.

关键词： metal foam-filled circular tube(MFFCT) free inversion load-carrying capacity energy absorption

Use of induced pluripotent stem cell-derived brain cells,organoids,assembloids,and blood-brain barrier models in understanding alcohol and anesthetic-induced brain injuries:an emerging perspective

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Neural Regeneration Research 2024年第5期19卷 953-954页

作者： Xiaowen bai Department of Cell Biology Neurobiology&AnatomyMedical College of WisconsinMilwaukeeWIUSA

Neurological disorders,including developmental disorders,Alzheimer’s disease(AD),and psychiatric conditions,have significant social and economic impacts *** extensive research into the underlying mechanisms of these disorders,effective treatments remain elusive,partly due to the complexity of the brain,the limited availability of human brain tissue,and the blood-brain barrier(BBB)’s impermeability to certain *** perspective article discusses the potential of human induced pluripotent stem cell(iPSC)-based models of brain cells,organoids,assembloids,and BBB to advance our understanding of the etiology,progression,and mechanisms of brain injuries induced by alcohol consumption and general *** models could also be used to develop protective and therapeutic approaches.

关键词： injuries protective drugs

Magnetic and electrical transport study of the intrinsic magnetic topological insulator MnBi_(2)Te_(4)with Ge doping

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Frontiers of physics 2024年第3期19卷 51-59页

作者： Qingwang bai Mingxiang Xu School of Physics Southeast UniversityNanjing 211189China

As an intrinsic magnetic topological insulator with magnetic order and non-trivial topological structure,MnBi_(2)Te_(4)is an ideal material for studying exotic topological states such as quantum anomalous Hall effect and topological axion insulating ***,we carry out magnetic and electrical transport measurements on(Mn1–xGex)Bi_(2)Te_(4)(x=0,0.15,0.30,0.45,0.60,and 0.75)single *** is found that with increasing x,the dilution of magnetic moments gradually weakens the antiferromagnetic exchange ***,Ge doping reduces the critical field of ferromagnetic ordering,which may provide a possible way to implement the quantum anomalous Hall effect at lower magnetic *** transport measurements suggest that electrons are the dominant charge carriers,and the carrier density increases with the Ge doping ***,the Kondo effect is observed in the samples with x=0.45,0.60,and *** results suggest that doping germanium is a viable way to tune the magnetic and electrical transport properties of MnBi_(2)Te_(4),opening up the possibility of future applications in magnetic topological insulators.

关键词： MnBi_(2)Te_(4) intrinsic magnetic topological insulator transition points Kondo effect

Evaluating CMIP6 models in simulating the North Pacific decadal variability in sea surface salinity

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Science China Earth Sciences 2024年第8期67卷 2661-2680页

作者： Jian CHEN Hailong LIU Pengfei LIN Wenrong bai Chengzu bai Lu WANG Institute of Atmospheric Physics Chinese Academy of SciencesBeijing 100029China State Key Laboratory of Geo-Information Engineering Xi’an 710054China Beijing Municipal Climate Center Beijing Meteorological BureauBeijing 100089China Space System Department Equipment Department Beijing 100096China

The North Pacific sea surface salinity(SSS)decadal variability(NPSDV)and its potential forcing were evaluated from 25 coupled models of the Coupled Model Intercomparison Project phase 6(CMIP6)considering the prospects for decadal climate *** results indicated that the CMIP6 models generally reproduced the spatial patterns of *** large standard deviation of the SSS anomaly over the strong current regions,such as the Kuroshio-Oyashio Extension(KOE),North Pacific Current(NPC),California Current System(CCS),and Alaskan Coastal Current(ACC),is reflected in the two leading modes of NPSDV:a dipole with out-of-phase loadings in the KOE-NPC versus CCS-ACC and a monopole with positive loading over the *** order of modes is sensitive to individual models that exhibit discrepancies,especially in temporal phases and power *** autoregressive model of order-1 was used to reconstruct the NPSDV with several forcing *** generally weaker influence of forcings in an autoregressive model of order-1 is partly related to the overestimated response time of NPSDV relative to *** NPSDV variances originate from the persistence of SSS anomalies,but the dominant forcing factors are diverse among *** model diversity for the NPSDV simulation mainly arises from the influence of the tropical El Ni?o-Southern Oscillation through teleconnection on the North Pacific Oscillation or Aleutian Low with timescale ***,models that can reproduce the NPSDV well are not dependent on those with larger impacts from the North Pacific oceanic processes.

关键词： North Pacific Sea surface salinity Decadal variability CMIP6 Leading mode

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Microphysical Insights into a Tornadic Supercell from Dual-Polarization Radar Observations in Jiangsu, China on 14 May 2021

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Journal of Meteorological Research 2024年第2期38卷 303-320页

作者： Chao YUAN Yang bai Pengfei SUN Hua bai Lu XIA China Meteorological Administration Tornado Key Laboratory Foshan 528315 Institute of Atmospheric Environment China Meteorological AdministrationShenyang 110166 Panjin National Climate Observatory Panjin 124010 Yangzhou Meteorological Bureau of Jiangsu Province Yangzhou 225100 Yichun Meteorological Bureau of Heilongjiang Province Yichun 153000

Tornadoes are incredibly powerful and destructive natural events,yet the microphysical characteristics of the parent storm and its effects on tornadogenesis remain *** study analyzed polarization radar data of a tornadic supercell that occurred in Jiangsu Province of China on 14 May 2021,in comparison with another tornadic supercell and two non-tornadic supercells that occurred in the same region in *** two tornadic supercells exhibited lower differential reflectivity(ZDR)in the hook echo region compared with the non-tornadic supercells,indicating smaller median drop sizes.A distinct increase in ZDR from the melting of frozen hydrometeors,observed between2.5-and 4.0-km altitude in the non-tornadic storms,was absent in the tornadic *** non-tornadic supercells also displayed substantially higher specific differential phase(KDP)below the melting level,likely aroused from enhanced melting and *** findings suggest fundamental microphysical contrasts between tornadic and nontornadic ***,tornadic supercells have smaller droplets and may reduce melting in hook ***,greater separation between the ZDR arc and the KDP foot was observed during *** vertical gradient of KDP related to the cooling pool strength of the hook echo,regulating rear-flank downdraft *** the limited number of cases investigated,the findings of this study indicate that monitoring ZDR,KDP,and drop size distribution trends could assist with tornado prediction and warnings.

关键词： tornado polarimetric radar supercell hook echo drop size distribution

Evolution of pore systems in low-maturity oil shales during thermal upgrading--Quantified by dynamic SEM and machine learning

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Petroleum Science 2024年第3期21卷 1739-1750页

作者： Jun Liu Xue bai Derek Elsworth Key Laboratory of Deep Underground Science and Engineering(Ministry of Education) Institute of New Energy and Low-Carbon TechnologySichuan UniversityChengdu610065SichuanChina International Quantum Academy Shenzhen518048GuangdongChina Shenzhen Institute of Advanced Electronic Materials Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen518055GuangdongChina Department of Energy and Mineral Engineering Pennsylvania State University ParkPA 16802USA

In-situ upgrading by heating is feasible for low-maturity shale oil,where the pore space dynamically *** characterize this response for a heated substrate concurrently imaged by *** systematically follow the evolution of pore quantity,size(length,width and cross-sectional area),orientation,shape(aspect ratio,roundness and solidity)and their anisotropy—interpreted by machine *** indicate that heating generates new pores in both organic matter and inorganic ***,the newly formed pores are smaller than the original pores and thus reduce average lengths and widths of the bedding-parallel pore ***,the average pore lengths and widths are increased in the bedding-perpendicular ***,heating increases the cross-sectional area of pores in low-maturity oil shales,where this growth tendency fluctuates at300℃.In addition,the orientation and shape of the newly-formed heating-induced pores follow the habit of the original pores and follow the initial probability distributions of pore orientation and ***,limited anisotropy is detected in pore direction and shape,indicating similar modes of evolution both bedding-parallel and *** propose a straightforward but robust model to describe evolution of pore system in low-maturity oil shales during heating.

关键词： Low-maturity oil shale Pore elongation Organic matter pyrolysis In-situthermal upgrading Scanning electron microscopy(SEM) Machine learning

Effect of stress-relief annealing on thermal fatigue cracks for die-casting die steels

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Journal of Iron and Steel Research International 2024年第5期31卷 1164-1176页

作者： Zhi-xiong bai Xiao-chun Wu School of Materials Science and Engineering Shanghai UniversityShanghai200444China

The effect of stress-relief annealing at different stages of thermal fatigue tests on crack growth was investigated using a self-built thermal cycle *** results showed that annealing could limit crack expansion *** reduced dislocation density and released the accumulation of residual *** addition,the strain accumulation in carbides was reduced by this *** was also found that double annealing was even more effective at inhibiting crack expansion compared to single stress-relief *** 1000 cycles,the maximum crack length was reduced by 31.1%and 45.2%for the samples after using the optimal single and double annealing processes,*** single stress-relief annealing,earlier annealing provides more benefit in delaying crack ***,effective double stress-relief annealing requires a suitable time interval between the annealing ***,after 800 cycles,surface hardness decreased significantly accompanied by an increase in the size and number of carbides,and cracks expanded predominantly along grain boundaries.

关键词： Thermal fatigue Steel Carbide Stress-relief annealing Dislocation Residual stress