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Journal of Renewable Materials 2022年第10期10卷 2553-2567页

作者： daniel dodzi yao setsoafia Kiran Sreedhar Ram Hooman Mehdizadeh-Rad David Ompong Vinuthaa Murthy Jai Singh College of Engineering IT and EnvironmentPurple 12Charles Darwin UniversityDarwinNT 0909Australia Energy and Resources Institute Charles Darwin UniversityDarwinNT 0909Australia

DFT and TD-DFT calculations of HOMO and LUMO energies and photovoltaic properties are carried out on four selected pentathiophene donor and one IDIC-4F acceptor molecules using B3LYP and PBE0 functionals for the ground state energy calculations and CAM-B3LYP functional for the excited state *** discrepancy between the calculated and experimental energies is reduced by correlating them with a linear *** fitted energies of HOMO and LUMO are used to calculate the Voc of an OSC based on these donors and acceptor blend and compared with experimental *** the Scharber model the calculated PCE of the donor-acceptor molecules agree with the *** has been found that fluorine substitution can be used to improve charge transport by reducing the electron and hole reorganization energies of the *** is also found that the introduction of fluorine onto the donor pentathiophene unit of the donor molecule results in a change of polarity of the distributed charges in the molecule due to the high electronegativity of the fluorine *** quantum chemical potential(μ),chemical hardness(η)and electronegativity(χ),and electrostatic potential maps(EPMs)are also calculated to identify different charge distribution regions in all five molecules.

关键词： Acceptor donor DFT excitons HOMO LUMO small molecule electrophilic nucleophilic and reorganization energy

Direct measurement of the break-out ^(19)F(p,γ)^(20)Ne reaction in the China Jinping underground laboratory(CJPL)

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Nuclear Science and Techniques 2024年第8期35卷 142-152页

作者： Yin‑Ji Chen Hao Zhang Li‑Yong Zhang Jian‑Jun He Richard James deBoer Michael Wiescher Alexander Heger David Kahl Jun Su daniel Odell Xin‑Yue Li Jian‑Guo Wang Long Zhang Fu‑Qiang Cao Zhi‑Cheng Zhang Xin‑Zhi Jiang Luo‑Huan Wang Zi‑Ming Li Lu‑Yang Song Liang‑Ting Sun Qi Wu Jia‑Qing Li Bao‑Qun Cui Li‑Hua Chen Rui‑Gang Ma Er‑Tao Li Gang Lian yao‑De Sheng Zhi‑Hong Li Bing Guo Wei‑Ping Liu Key Laboratory of Beam Technology of the Ministry of Education College of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China Department of Physics and Astronomy The Joint Institute for Nuclear AstrophysicsUniversity of Notre DameNotre DameIN 46556USA School of Physics and Astronomy Monash UniversityClaytonVIC 3800Australia Facility for Rare Isotope Beams Michigan State UniversityEast LansingMI 48824USA Institute of Nuclear and Particle Physics and Department of Physics and Astronomy Ohio UniversityAthensOH 45701USA Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China China Institute of Atomic Energy Beijing 102413China College of Physics and Optoelectronic Engineering Shenzhen UniversityShenzhen 518060China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China College of Science Southern University of Science and TechnologyShenzhen 518055China Institute of Radiation Technology Beijing Academy of Science and TechnologyBeijing 100875China Key Laboratory of Nuclear Physics and Ion‑Beam Application(MOE) Institute of Modern PhysicsFudan UniversityShanghai 200433China School of Mathematics and Physics Handan UniversityHandan 056005China

Calcium production and the stellar evolution of first-generation stars remain fascinating mysteries in *** one possible nucleosynthesis scenario,break-out from the hot carbon–nitrogen–oxygen(HCNO)cycle was thought to be the source of the calcium observed in these oldest ***,according to the stellar modeling,a nearly tenfold increase in the thermonuclear rate ratio of the break-out ^(19)F(p,γ)^(20) Ne reaction with respect to the competing ^(19)F(p,α)^(16) O back-processing reaction is required to reproduce the observed calcium *** performed a direct measurement of this break-out reaction at the China Jinping underground *** measurement was performed down to the low-energy limit of E_(c.m.)=186 keV in the center-of-mass *** key resonance was observed at 225.2 keV for the first *** a temperature of approximately 0.1 GK,this new resonance enhanced the thermonuclear ^(19)F(p,γ)^(20) Ne rate by up to a factor of≈7.4,compared with the previously recommended NACRE *** is of particular interest to the study of the evolution of the first stars and implies a stronger breakdown in their“warm”CNO cycle through the ^(19)F(p,γ)^(20) Ne reaction than previously *** break-out resulted in the production of the calcium observed in the oldest stars,enhancing our understanding of the evolution of the first stars.

关键词： Nuclear astrophysics First stars Abundance of calcium Reaction cross section Reaction rate China Jinping underground laboratory(CJPL) JUNA

Slowβrelaxation in La-based metallic glasses based on mechanical spectroscopy measurements

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Journal of Iron and Steel Research International 2017年第4期24卷 397-401页

作者： Ji-chao Qiao Jean-marc Pelletier Ning Li daniel Crespo yao yao School of Mechanics Civil Engineering and ArchitectureNorthwestern Polytechnical UniversityXi'an 710072ShaanxiChina Universite de Lyon MATEISUMR-CNRS5510Bat.B.PascalINSA LyonF-69621 Villeurbanne cedexFrance Department of Materials Science and Engineering State Key Laboratory for Materials Processing and Die&Mould TechnologyHuazhong University of Science and TechnologyWuhan 430074HubeiChina Departament de Fisica EETACUniversitat Politecnica de CatalunyaCastelldfels 08860BarcelonaSpain

Dynamic mechanical relaxations of La-based metallic glasses were investigated by mechanical *** the framework of the mixing enthalpy of constituent atoms,it was found thatβrelaxation was less evident by the addition of Cu to replace Ni in the LaCuNiAl glassy *** introducing Cu into the LaNiAl metallic glass,the mixing enthalpy was less negative,which led to weakerβrelaxation of the metallic ***αrelaxation of the La-based metallic glasses could be described by a Kohlrausch-Williams-Watts（KWW）function with a Kohlrausch exponentβKWW around *** should be noted that physical aging above the glass transition temperature Tginduced a decrease ofβrelaxation intensity in the La-based metallic glass.

关键词： Metallic glass Mechanical relaxation βrelaxation Mixing enthalpy

Entity attribute discovery and clustering from online reviews

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Frontiers of Computer Science 2014年第2期8卷 279-288页

作者： Qingliang MIAO Qiudan LI daniel ZENG yao MENG Shu ZHANG Hao YU Fujitsu Research & Development Center Beijing 100025 China Institute of Automation Chinese Academy of Sciences Beijing 100190 China Ricoh Software Research Center (Beijing) Co. Ltd. Beijing 100082 China

The rapid increase of user-generated content （UGC） is a rich source for reputation management of enti- ties, products, and services. Looking at online product re- views as a concrete example, in reviews, customers usually give opinions on multiple attributes of products, therefore the challenge is to automatically extract and cluster attributes that are mentioned. In this paper, we investigate efficient at- tribute extraction models using a semi-supervised approach. Specifically, we formulate the attribute extraction issue as a sequence labeling task and design a bootstrapped schema to train the extraction models by leveraging a small quantity of labeled reviews and a larger number of unlabeled reviews. In addition, we propose a clustering By committee （CBC） ap- proach to cluster attributes according to their semantic simi- larity. Experimental results on real world datasets show that the proposed approach is effective.

关键词： opinion mining attribute extraction attributeclustering

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

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npj Computational Materials 2018年第1期4卷 653-661页

作者： daniel A.Rehn yao Li Eric Pop Evan J.Reed Department of Mechanical Engineering Stanford UniversityStanfordCA 94305USA Department of Applied Physics Stanford UniversityStanfordCA 94305USA Department of Electrical Engineering Stanford UniversityStanfordCA 94305USA Department of Materials Science and Engineering Stanford UniversityStanfordCA 94305USA

Structural phase-change materials are of great importance for applications in information storage *** driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory ***,the waste heat generated by such thermal mechanisms is often not optimized,and could present a limiting factor to widespread *** potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials,providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy *** this work,we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase *** theoretical limits in monolayer MoTe2 and thin films of Ge_(2)Sb_(2)Te_(5),we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge_(2)Sb_(2)Te_(5).Furthermore,experimentally reported phase change energy consumption of Ge_(2)Sb_(2)Te_(5) is 100–10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material,leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge_(2)Sb_(2)Te_(5)-based devices.

关键词： transitions phase structural

Pressureless all-solid-state Na/S batteries with self-supporting Na_(5)YSi_(4)O_(12) scaffolds

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Carbon Energy 2023年第12期5卷 97-110页

作者： Aikai Yang Ruijie Ye Huimin Song Qiongqiong Lu Xingchao Wang Enkhtsetseg Dashjav Kai yao daniel Grüner Qianli Ma Frank Tietz Olivier Guillon Forschungszentrum Jülich GmbH Institute of Energy and Climate Research(IEK-1)JülichGermany Institute of Mineral Engineering(GHI) RWTH Aachen UniversityAachenGermany Beijing Key Laboratory of Theory and Technology for Advanced Batteries Materials School of Materials Science and EngineeringPeking UniversityBeijingChina Institute of Materials Henan Academy of SciencesZhengzhouHenanChina Henan Key Laboratory of Advanced Conductor Materials ZhengzhouHenanChina State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources Key Laboratory of Advanced Functional MaterialsAutonomous RegionInstitute of Applied ChemistryCollege of ChemistryXinjiang UniversityUrumqiXinjiangChina Forschungszentrum Jülich GmbH Institute of Energy and Climate Research(IEK-2)JülichGermany Jülich Aachen Research Alliance JARA-EnergyJülichGermany

The development of reliable and affordable all-solid-state sodium metal batteries(ASS-SMBs)requires suitable solid-state electrolytes with cost-efficient processing and stabilized electrode/electrolyte ***,an integrated porous/dense/porous Na_(5)YSi_(4)O_(12)(NYS)trilayered scaffold is designed and fabricated by tape casting using aqueous *** this template-based NYS scaffold,the dense layer in the middle serves as a separator and the porous layers on both sides accommodate the active materials with their volume changes during the charge/discharge processes,increasing the contact area and thus enhancing the utilization rate and homogenizing the current *** Na/NYS/Na symmetric cells with the Pb-coated NYS scaffold exhibit significantly reduced interfacial impedance and superior critical current density of up to 3.0 mA cm^(-2)against Na metal owing to enhanced ***,the assembled Na/NYS/S full cells operated without external pressure at room temperature showed a high initial discharge capacity of 970 mAh g^(-1)and good cycling stability with a capacity of 600 mAh g^(-1)after 150 cycles(based on the mass of sulfur).This approach paves the way for the realization of economical and practical ASS-SMBs from the perspective of ceramic manufacturing.

关键词： Na/S batteries Na_(5)YSi_(4)O_(12) scaffold solid-state electrolytes tape casting

Stable isotopic compositions of precipitation events from Kathmandu, southern slope of the Himalayas

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Chinese Science Bulletin 2014年第34期59卷 4838-4846页

作者： Tek Bahadur Chhetri Tandong yao Wusheng Yu Li Ding daniel Joswiak Lide Tian Lochan Prasad Devkota Dongmei Qu Key Laboratory of Tibetan Environment Changes and Land Surface Processes Institute of Tibetan Plateau ResearchChinese Academy of Sciences University of Chinese Academy of Sciences Central Department of Hydrology and Meteorology Tribhuvan University Kathmandu Nepal Yinchuan Meteorological Administration

Investigation of temporal variations in the stable d18 O and d D isotopes from Kathmandu's precipitation events shows that the relatively enriched d18 O and d D values in the winter(the dry season, dominated by the westerlies) were positively correlated with temperature,indicating a temperature effect controlling the changes of d18 O and d D. However, the d18 O and d D values were depleted in the summer(the wet season, dominated by the Indian monsoon), which were negatively correlated with precipitation amount, indicating an amount effect. In addition, the comparison of stable isotopes in precipitation from Kathmandu and Mawlong(near the Bay of Bengal)shows that the overall trends of d18 O and d D values at Kathmandu generally approximate those at ***, there remain many differences between the details of the isotopic changes at Kathmandu versus those at Mawlong. Compared with those at Mawlong, the further rainout effect and the more intense lift effect of the oceanic moisture by the high mountains resulted in the moredepleted d18 O and d D values in summer precipitation at Kathmandu. A deuterium excess and the local meteoric water lines reveal that evaporation at Kathmandu exceeds that at Mawlong. The data also show that the Indian monsoon activities at Mawlong are more intense than those at Kathmandu.

关键词：同位素组成稳定同位素降水事件喜马拉雅山南坡温度效应印度季风夏季降水

Differences in left and right carotid plaque vulnerability in patients with bilateral carotid plaques:a CARE-II study

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Stroke & Vascular Neurology 2023年第4期8卷 284-291页

作者： Sai Shao Honglu Shi Guangbin Wang Rui Li Qinjian Sun Bin yao Hiroko Watase daniel S Hippe Chun Yuan Xihai Zhao Department of Radiology Shandong Provincial Hospital Affiliated to Shandong First Medical UniversityJinanShandongChina Department of Medical Imaging and Intervention Shandong Provincial Hospital Affiliated to Shandong First Medical UniversityJinanShandongChina Center for Biomedical Imaging Research Department of Biomedical EngineeringTsinghua University School of MedicineBeijingChina Department of Neurology Shandong Provincial Hospital Affiliated to Shandong First Medical UniversityJinanShandongChina Department of Radiology The Second Affiliated Hospital of Nanchang UniversityNanchangJiangxiChina Department of Surgery University of WashingtonSeattleWashingtonUSA Department of Radiology University of WashingtonSeattleWashingtonUSA

Background and purpose Atherosclerosis is a very complex process influenced by various systemic and local ***,in patients with bilateral carotid plaques(BCPs),there may be differences in carotid plaque vulnerability between the *** aimed to investigate the differences in BCP characteristics in patients with BCPs using magnetic resonance vessel wall imaging(MR-VWI).Methods Participants with BCPs were selected for subanalysis from a multicentre study of Chinese Atherosclerosis Risk Evaluation *** measured carotid plaque burden,identified each plaque component and measured their volume or area bilaterally on *** comparisons of the burden and components of BCPs were *** In all,540 patients with BCPs were eligible for *** with the right carotid artery(CA),larger mean lumen area(p<0.001),larger mean wall area(p=0.025),larger mean total vessel area(p<0.001)and smaller normalised wall index(p=0.006)were found in the left *** plaque components,only the prevalence of lipid-rich necrotic core(LRNC)in the left CA was higher(p=0.026).For patients with a vulnerable plaque component coexisting on both sides,only the intraplaque haemorrhage(IPH)volume(p=0.011)was significantly greater in the left CA than in the right *** There were asymmetries in plaque growth and evolution between *** left carotid plaques were more likely to have larger plaque burden,higher prevalence of LRNC and greater IPH volume,which may contribute to the lateralisation of ischaemic stroke in the cerebral hemispheres.

关键词： carotid patients plaques

Infrared fluorescence imaging of infarcted hearts with A@S nanodots

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Nano Research 2019年第4期12卷 749-757页

作者： Dirk H. Ortgies Angel Luis Garcia-Villalon Miriam Granado Sara Amor Emma Martin Rodriguez Harrisson DA Santos Jingke yao Jorge Rubio-Retama daniel Jaque Nanobiology Group Instituto Ramon y Cajal de Investigacion Sanitaria IRYCIS Ctra. Colmenar km. 9.100 Madrid 28034 Spain Fluorescence Imaging Group Departamento de Fisica de Materiales - Facultad de Ciencias Universidad Autonoma de Madrid C/ Francisco Tomas y Valiente 7 Madrid 28049 Spain Fluorescence Imaging Group Departamento de Fisiologia - Facultad de Medicina Avda. Arzobispo Morcillo 2 Universidad Autonoma de Madrid Madrid 28029 Spain Fluorescence Imaging Group Departamento de Fisica Aplicada - Facultad de Ciencias Universidad Autonoma de Madrid C/ Francisco Tomas y Valiente 7 Madrid 28049 Spain Grupo de Nano-Fotonica e Imagens Instituto de Fisica Universidade Federal de Alagoas Maceio-AL 57072-900 Brazil Departamento de Quimica Fisica en Ciencias Farmaceuticas Facultad de Farmacia Plaza de Ramon y Cajal s/n Universidad Complutense de Madrid Madrid 28040 Spain

Ag2S nano dots have already bee n dem onstrated as promisi ng n ear-i nfrared (NIR-II, 1.0-1.45 pm) emitting nan oprobes with low toxicity, high penetration and high resolution for in vivo imaging of, for example, tumors and vasculature. In this work, we have systematically investigated the pote ntial applicati on of function alized Ag2S nano dots for accurate imaging of damaged myocardium tissues after a myocardial in farction in duced by either partial or global ischemia. Ag2S nano dots surface-function alized with the an giote nsin II peptide (ATI I) have show n over 10-fold enhanced binding efficiency to damaged tissues than non-specifically (PEG) functionalized Ag2S nanodots due to their interaction with the upregulated angiotensin II receptor type I (AT1R). It is demonstrated how the NIR-II images generated by ATII-functionalized Ag2S nanodots contain valuable information about the location and extension of damaged tissue in the myocardium allowing for a proper identification of the occluded artery as well as an in direct evaluati on of the damage level. The pote ntial applicati on of Ag2S nano dots in the n ear future for in vivo imaging of myocardial infarction was also corroborated by performing proof of concept whole body imaging experiments.

关键词： infrared imaging myocardial infarct Ag2S nanodots biological windows Langendorff heart

Tsc2 mutation induces renal tubular cell nonautonomous disease

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Genes & Diseases 2022年第1期9卷 187-200页

作者： Prashant Kumar Fahad Zadjali Ying yao daniel Johnson Brian Siroky Aristotelis Astrinidis Peter Vogel Kenneth W.Gross John J.Bissler Department of Pediatrics University of Tennessee Health Science Center and Le Bonheur Children's HospitalMemphisTN 38103USA Children's Foundation Research Institute(CFRI) Le Bonheur Children's HospitalMemphisTN 38105USA Department of Clinical Biochemistry College of Medicine&Health SciencesSultan Qaboos UniversityMuscat 123Oman Molecular Bioinformatics Center University of Tennessee Health Science CenterMemphisTN 38163USA Department of Veterinary Pathology St.Jude Children's Research HospitalMemphisTN 38105USA Department of Molecular and Cellular Biology Roswell Park Comprehensive Cancer CenterBuffaloNY 14263USA Pediatric Medicine Department St.Jude Children's Research HospitalMemphisTN 38105USA

TSC renal cystic disease is poorly understood and has no approved *** a new principal cell-targeted murine model of Tsc cystic disease,the renal cystic epithelium is mostly composed of type A intercalated cells with an intact Tsc2 gene confirmed by sequencing,although these cells exhibit a Tsc-mutant disease *** used a newly derived targeted murine model in lineage tracing and extracellular vesicle(EV)characterization experiments and a cell culture model in EV characterization and cellular induction experiments to understand TSC *** lineage tracing experiments,we found principal cells undergo clonal expansion but contribute very few cells to the *** determined that cystic kidneys contain more interstitial EVs than noncystic kidneys,excrete fewer EVs in urine,and contain EVs in cyst ***,the loss of Tsc2 gene in EV-producing cells greatly changes the effect of EVs on renal tubular epithelium,such that the epithelium develops increased secretory and proliferative pathway *** demonstate that the mTORC1 pathway activity is independent form the EV production,and that the EV effects for a single cell line can vary *** cystogenesis involves significant contribution from genetically intact cells conscripted to the mutant phenotype by mutant cell derived EVs.

关键词： Cell nonautonomous trait Polycystic kidney disease Renalcystogenesis Tuberous sclerosis complex