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From atomistic modeling to materials design:computation-driven material development in lithium-ion batteries

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Science China Chemistry 2024年第1期67卷 276-290页

作者： Xiangrong Li Xiang Chen Qiang Bai Yifei mo Yizhou Zhu Research Center for Industries of the Future and School of Engineering Westlake UniversityHangzhou 310030China Department of Chemical Engineering Tsinghua UniversityBeijing 100084China College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China Department of Materials Science and Engineering University of MarylandCollege Park 20742United States

As an advanced energy storage system,lithium-ion batteries play an essential role in modern *** their ubiquitous success,there is a great demand for continuous improvements of the battery performance,including higher energy density,lower safety risk,longer cycling life,and lower *** performance improvement requires the design and development of novel electrode and electrolyte materials that exhibit desirable properties and satisfy strict *** modeling can provide a unique perspective to fundamentally understand and rationally design battery *** this paper,we review a few recent successful examples of computation-driven discovery and design in electrode and electrolyte ***,we highlight how atomistic modeling can reveal the underlying mechanisms,predict the important properties,and guide the design and engineering of electrode and electrolyte *** have a conclusion with a discussion of the unique capability of atomistic modeling in battery material development and provide a perspective on future challenges and directions for computation-driven battery material developments.

关键词： materials design computation modeling batteries electrolyte electrode

morphology Study for GeV Emission of Nearby Supernova Remnant G332.5-5.6

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Research in Astronomy and Astrophysics 2024年第4期24卷 134-140页

作者： Ming-Hong Luo Qing-Wen Tang Xiu-Rong mo Department of Physics School of Physics and Materials ScienceNanchang UniversityNanchang 330031China

A spatial template is important to study nearby supernova remnants(SNRs).For SNR G332.5-5.6,we report a Gaussian disk with a radius of about 1°.06 to be a potential good spatial model in the γ-ray *** this new Gaussian disk,its GeV lightcurve shows a significant variability of about seven *** γ-ray observations of this SNR could be explained well either by a leptonic model or a hadronic model,in which a flat spectrum for the ejected electrons/protons is required.

关键词： ISM:supernova remnants gamma rays:ISM

回归日常:论“生活型养老”的政策维度与建构合力

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江淮论坛 2024年第2期 53-59页

作者：芦恒董默吉林大学社会学院长春130012

建立和完善城乡基本养老服务体系,保障老年人养老生活的品质是共同富裕背景下实施积极老龄化战略的新趋势。在中国人“好好过日子”的文化语境下,现有“生存型”养老政策需要回归到老年人的日常生活,逐步升级为“生活型养老”。“生活... 详细信息

建立和完善城乡基本养老服务体系,保障老年人养老生活的品质是共同富裕背景下实施积极老龄化战略的新趋势。在中国人“好好过日子”的文化语境下,现有“生存型”养老政策需要回归到老年人的日常生活,逐步升级为“生活型养老”。“生活型养老”立基于彰显福利普惠性、时空整体性、发展性的“生活福利”,将老年人视为与家庭、社会进行互动的“关系体”,通过提供关注老年人主体行动、生活过程、家庭抗逆力、代际交流的福利服务促进养老服务的高质量发展。其政策维度应包括个体层面的生命周期阶段性养老政策、家庭层面的幸福家庭共建性养老政策和代际层面的代际融合性养老政策。“生活型养老”政策的实践保障机制在于养老主体的联合发力,构建不同层次的政策网络,形成链接政府、老年人家庭、同辈群体、社区、养老机构等主体的生活福利网络,全面提升老年人的生活质量。

关键词： “生活型养老”政策生活抗逆力代际交流

Investigating the relationship between intracranial atherosclerotic plaque remodelling and diabetes using high-resolution vessel wall imaging

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World Journal of Diabetes 2024年第1期15卷 72-80页

作者： Yong-Qian mo Hai-Yu Luo Han-Wen Zhang Yu-Feng Liu Kan Deng Xiao-Lei Liu Biao Huang Fan lin Department of Radiology Peking University Shenzhen HospitalShenzhen 518000Guangdong ProvinceChina Department of Ultrasound Peking University Shenzhen HospitalShenzhen 518000Guangdong ProvinceChina The Second School of Clinical Medicine Southern Medical UniversityGuangzhou 510282Guangdong ProvinceChina Department of Radiology The First Affiliated Hospital of Shenzhen UniversityHealth Science CenterShenzhen Second People’s HospitalShenzhen 518036Guangdong ProvinceChina Research Department Philips HealthcareGuangzhou 518000Guangdong ProvinceChina Department of Radiology Guangdong Provincial People’s HospitalGuangdong Academy of Medical SciencesGuangzhou 510000Guangdong ProvinceChina

BACKGROUND Intracranial atherosclerosis,a leading cause of stroke,involves arterial plaque *** study explores the link between plaque remodelling patterns and diabetes using high-resolution vessel wall imaging(HR-VWI).AIM To investigate the factors of intracranial atherosclerotic remodelling patterns and the relationship between intracranial atherosclerotic remodelling and diabetes mellitus using *** Ninety-four patients diagnosed with middle cerebral artery or basilar artery INTRODUCTION Intracranial atherosclerotic disease is one of the main causes of ischaemic stroke in the world,accounting for approx-imately 10%of transient ischaemic attacks and 30%-50%of ischaemic strokes[1].It is the most common factor among Asian people[2].The adaptive changes in the structure and function of blood vessels that can adapt to changes in the internal and external environment are called vascular remodelling,which is a common and important pathological mechanism in atherosclerotic diseases,and the remodelling mode of atherosclerotic plaques is closely related to the occurrence of *** remodelling(PR)is an outwards compensatory remodelling where the arterial wall grows outwards in an attempt to maintain a constant lumen *** a long time,it was believed that the degree of stenosis can accurately reflect the risk of ischaemic stroke[3-5].Previous studies have revealed that lesions without significant luminal stenosis can also lead to acute events[6,7],as summarized in a recent meta-analysis study in which approximately 50%of acute/subacute ischaemic events were due to this type of lesion[6].Research[8,9]has pointed out that the PR of plaques is more dangerous and more likely to cause acute ischaemic *** studies[10-13]have found that there are specific vascular remodelling phenomena in the coronary and carotid arteries of diabetic ***,due to the deep location and small lumen of intracranial arteries and limitations of i

关键词： High-resolution vessel wall imaging Intracranial atherosclerosis Vascular remodelling Magnetic resonance imaging

Environmentally adaptive reshaping of plant photomorphogenesis by karrikin and strigolactone signaling

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Journal of Integrative Plant Biology 2024年第5期66卷 865-882页

作者： Young-Joon Park Bo Eun Nam Chung-mo Park Department of Smart Farm Science Kyung Hee UniversityYongin 17104Korea Departmentof Biological Sciences Seoul National UniversitySeoul 08826Korea Department of Chemistry Seoul National UniversitySeoul 08826Korea

Coordinated morphogenic adaptation of growing plants is critical for their survival and propagation under fluctuating *** morphogenic responses to light and warm temperatures,termed photomorphogenesis and thermomorphogenesis,respectively,have been extensively studied in recent *** photomorphogenesis,plants actively reshape their growth and developmental patterns to cope with changes in light ***,photomorphogenesis is closely associated with diverse growth hormonal ***,accumulating evidence indicates that light-directed morphogenesis is profoundly affected by two recently identified phytochemicals,karrikins(KARs)and strigolactones(SLs).KARs and SLs are structurally related butenolides acting as signaling molecules during a variety of developmental steps,including seed *** receptors and signaling mediators have been identified,and associated working mechanisms have been explored using gene-deficient mutants in various plant *** particular interest is that the KAR and SL signaling pathways play important roles in environmental responses,among which their linkages with photomorphogenesis are most comprehensively studied during seedling *** this review,we focus on how the phytochemical and light signals converge on the optimization of morphogenic *** also discuss molecular mechanisms underlying the signaling crosstalks with an aim of developing potential ways to improve crop productivity under climate changes.

关键词： karrikins morphogenic adaptation photomorphogenesis seedling establishment strigolactones

Neural network mapping of gelastic behavior in children with hypothalamus hamartoma

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World Journal of Pediatrics 2024年第7期20卷 735-745页

作者： Zhi‑Hao Guo Jian‑Guo Zhang Xiao‑Qiu Shao Wen‑Han Hu lin Sang Zhong Zheng Chao Zhang Xiu Wang Chun‑De Li Jia‑Jie mo Kai Zhang Department of Neurosurgery Beijing Tiantan HospitalCapital Medical UniversityNo.119 South 4th Ring West RoadFengtai DistrictBeijing 100070China Department of Neurosurgery Beijing Neurosurgical InstituteCapital Medical UniversityBeijingChina Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijingChina Department of Neurosurgery Beijing Fengtai HospitalBeijingChina

Background Hypothalamus hamartomas(HHs)are rare,congenital,tumor-like,and nonprogressive malformations resulting in drug-resistant epilepsy,mainly affecting *** seizures(GS)are an early hallmark of epilepsy with *** aim of this study was to explore the disease progression and the underlying physiopathological mechanisms of pathological laughter in *** We obtained clinical information and metabolic images of 56 HH patients and utilized ictal semiology evaluation to stratify the specimens into GS-only,GS-plus,and no-GS subgroups and then applied contrasted trajectories inference(cTI)to calculate the pseudotime value and evaluate GS *** logistic regression was performed to identify neuroimaging-clinical predictors of GS,and then voxelwise lesion network-symptom mapping(LNSM)was applied to explore GS-associated brain *** cTI inferred the specific metabolism trajectories of GS progression and revealed increased complexity from GS to other seizure *** was further validated via actual disease duration(Pearson R=0.532,P=0.028).Male sex[odds ratio(OR)=2.611,P=0.013],low age at seizure onset(OR=0.361,P=0.005),high normalized HH metabolism(OR=−1.971,P=0.037)and severe seizure burden(OR=−0.006,P=0.032)were significant neuroimaging clinical *** revealed that the dysfunctional cortico-subcortico-cerebellar network of GS and the somatosensory cortex(S1)represented a negative *** This study sheds light on the clinical characteristics and progression of GS in children with *** identified distinct subtypes of GS and demonstrated the involvement of specific brain regions at the cortical–subcortical–cerebellar *** valuable results contribute to our understanding of the neural correlates of GS.

关键词： Contrasted trajectories inference Gelastic seizure Hypothalamus hamartoma Lesion network-symptom mapping Neural basis

Interfacial reinforcement of core-shell HMX@energetic polymer composites featuring enhanced thermal and safety performance

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Defence Technology（防务技术） 2024年第1期31卷 387-399页

作者： Binghui Duan Hongchang mo Bojun Tan Xianming Lu Bozhou Wang Ning Liu Xi'an modern Chemistry Research Institute Xi'an710065People's Republic of China State Key Laboratory of Fluorine&Nitrogen Chemicals Xi'an710065People's Republic of China

The weak interface interaction and solid-solid phase transition have long been a conundrum for 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane(HMX)-based polymer-bonded explosives(PBX).A two-step strategy that involves the pretreatment of HMX to endow—OH groups on the surface via polyalcohol bonding agent modification and in situ coating with nitrate ester-containing polymer,was proposed to address the *** types of energetic polyether—glycidyl azide polymer(GAP)and nitrate modified GAP(GNP)were grafted onto HMX crystal based on isocyanate addition reaction bridged through neutral polymeric bonding agent(NPBA)*** morphology and structure of the HMX-based composites were characterized in detail and the core-shell structure was *** grafted polymers obviously enhanced the adhesion force between HMX crystals and fluoropolymer(F2314)*** to the interfacial reinforcement among the components,the two HMX-based composites exhibited a remarkable increment of phase transition peak temperature by 10.2°C and 19.6°C with no more than 1.5%shell content,***,the impact and friction sensitivity of the composites decreased significantly as a result of the barrier produced by the grafted *** findings will enhance the future prospects for the interface design of energetic composites aiming to solve the weak interface and safety concerns.

关键词： HMX crystals Polyalcohol bonding agent Energetic polymer Core-shell structure Interfacial reinforcement

Irregular initial solidification by mold thermal monitoring in the continuous casting of steels:A review

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 1003-1015页

作者： Qiuping Li Guanghua Wen Fuhang Chen Ping Tang Zibing Hou Xinyun mo College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key Laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing UniversityChongqing 400044China

Occasional irregular initial solidification phenomena,including stickers,deep oscillation marks,depressions,and surface cracks of strand shells in continuous casting molds,are important limitations for developing the high-efficiency continuous casting of *** application of mold thermal monitoring(MTM) systems,which use thermocouples to detect and respond to temperature variations in molds,has become an effective method to address irregular initial solidification *** systems are widely applied in numerous steel companies for sticker breakout ***,monitoring the surface defects of strands remains ***,indepth research is necessary to utilize the potential advantages and comprehensive monitoring of MTM *** paper summarizes what is included in the irregular initial solidification phenomena and systematically reviews the current state of research on these phenomena by the MTM ***,the influences of mold slag behavior on monitoring these phenomena are ***,the remaining problems of the formation mechanisms and investigations of irregular initial solidification phenomena are discussed,and future research directions are proposed.

关键词： irregular initial solidification mold thermal monitoring continuous casting mold slag thermocouple

Large reversible magnetocaloric effect in antiferromagnetic Er_(3)Si_(2)C_(2) compound

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Journal of Rare Earths 2024年第8期42卷 1555-1559,I0005页

作者： Hao Sun Lu Tian Xinqiang Gao Zhaojun mo Jun Shen Baogen Shen School of Rare Earths University of Science and Technology of ChinaHefei230026China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou341000China Department of Energy and Power Engineering School of Mechanical EngineeringBeijing Institute of TechnologyBeijing100081China

The magnetic properties,magnetic phase transition and magnetocaloric effects(MCE) of Er_(3)Si_(2)C_(2) compound were investigated based on theoretical calculations and experimental *** on the first principles calculations,the antiferromagnetic(AFM) ground state type in Er_(3)Si_(2)C_(2) compound was predicted and its electronic structure was *** experimental results show that Ei_(3)Si_(2)C_(2) compound is an AFM compound with the Neel temperature(T_(N) of 7 K and undergoes a field-induced firstorder magnetic phase transition from AFM to ferromagnetic(FM) under magnetic fields exceeding 0.6 T at 2 *** magnetic transition process of Er_(3)Si_(2)C_(2) compound was investigated and *** values of the maximum magnetic entropy change(-ΔS_(M)^(max)) and the refrigeration capacity(RC) are 17 J/(kg·K)and 193 J/kg under changing magnetic fields of 0-5 T,*** a potential cryogenic magnetic refrigerant,the Er_(3)Si_(2)C_(2) compound also provides an interesting research medium to study the magnetic phase transition process.

关键词： Magnetic materials Magnetocaloric Metamagnetic transitions Magnetic phase transition Rare earths