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Investigation of the structural, electronic and mechanical properties of CaO–SiO_(2) compound particles in steel based on density functional theory

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International Journal of Minerals,Metallurgy and Materials 2023年第4期30卷 744-755页

作者： Chao Gu Ziyu lyu qin Hu Yanping Bao State Key laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China

CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(l) dicalcium silicate(αl′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.

关键词： CaO–SiO_(2) density functional theory structural property electronic property mechanical property

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A novel graphene aerogel synthesized from cellulose with high performance for removing MB in water

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Journal of Materials Science & Technology 2020年第6期41卷 68-75页

作者： Jin li qin Wang lei Zheng Hongbo liu College of Material Science and Engineering Hunan University Changsha PR China

A novel graphene aerogel has been synthesized from cellulose by an easy way through sol-gel reaction and *** this route,it can be found the products have a high yield about 48%and form a specific porous networks assembled by graphene *** product sample like CGA-2,characteristic of a specific area about 1426.11 m^2/g and total pore volume about 1.02 cm^3/g,exhibits a remarkable performance for removing cationic dye like methylene blue(MB)in *** which the maximal MB adsorption capacity can be found about 610.85 mg/g in a neutral solution and 1.2 g/g in a basic *** the condition of initial MB concentration of 100 mg/l and pH of 7.0,the adsorption equilibrium can be achieved on CGA-2 in 10 min,with MB removal ratio about 99%.In the MB adsorption on CGA-2,the isotherm fits langmuir model with correlation coefficient of 0.9905,and the kinetics follows pseudo-second-order model with correlation coefficient of 0.9999.

关键词： Graphene aerogel Synthesis Biomass precursor Function Adsorbent

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Reynolds-number scaling analysis on lift generation of a flapping and passive rotating wing with an inhomogeneous mass distribution

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Chinese Journal of Aeronautics 2024年第2期37卷 259-269页

作者： Suyang qin Haotian HANG Yang XIANG Hong lIU J.C.Wu center for aerodynamics school of aeronautics and astronauticsshanghai jiao tong universityshanghai 200240china

Insects usually fly by passively rotating wings,which has been applied to the design of flapping-wing Micro-Air Vehicles(MAVs)to reduce mechanical *** this paper,a robotic passive rotating-wing model is designed to investigate wing kinematics and lift generation,which are measured by a high-speed camera and a force transducer,*** addition,flow fields are measured using the Particle Image Velocimetry(PIV).Experimental results demonstrate that passive rotating motion has a coordinative relationship with actively stroking *** the stroke amplitude or frequency increases,the rotating amplitude is *** characterize the active stroking motion,a driving Reynolds number Redrivingis defined,which varies from 68 to 366 in this *** the gravity center of the wing towards trailing ed ge induces the increase of additional torque M,which decreases the wing rotating amplitude and promotes the advance of wing *** find that the timing of wing rotation is gradually delayed and the mean lift coefficient C^(-)_(l)monotonously decreases as *** increasing the additional torque M,C^(-)_(l)is slightly improved and approaches to the lift coefficient of a real fruit fly at driving Re approximately equal to *** instantaneous lifts combined with the vortical structures further demonstrate that the lift generation associated with wing rotation is mainly attributed to the growth of the leadingEdge Vortex(lEV)and the passive wake capture *** wake capture is influenced by lEV,reversal stroke motion and wing additional torque together,which can only maintain the lift at a high level for a considerable *** high-lift generation mechanisms of flapping and passive rotating flight could shed light on the simplified design of MAVs and the improvement of their aerodynamic performance.

关键词： Flapping flight Unsteady lift Passive rotation Vortex flow leading-edge vortex

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Spatial distribution of marine chemicals along a transect from Zhongshan Station to the Grove Mountain area, Eastern Antarctica

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Science China Earth Sciences 2014年第10期57卷 2366-2373页

作者： qin Xiang lI ChuanJin XIAO CunDe HOU ShuGui DING MingHu REN JiaWen qin DaHe State Key laboratory of the Cryospheric Sciences the Cold and Arid Regions Environmental and Engineering Research InstituteChinese Academy of Sciences School of Geographic and Oceanographic Sciences Nanjing University Chinese Academy of Meteorological Sciences

This study investigates the regional distribution of marine aerosol originated species （Na＋, CI-, nss-SO42- and MSA） in the snow pits （or firn cores） collected along a transect between Zhongshan Station and the Grove Mountain area （450 km inland） on the eastern side of the lambert Glacier Basin. Concentrations of Na＋ and Cl- decrease exponentially with distance from the coast to 100 km inland （i.e., 1500 m a.s.1.）. Statistical results demonstrate that distance from the coast inland and elevation af-fect the concentration of sea-salt originated ions in inland areas significantly. Increase of Cl-/Na＋ ratio and higher variability in its standard deviation suggest that there are other sources of ions in addition to sea-salt in inland areas of the Antarctic conti- nent. The concentrations of Na＋ and Cl- from nine sampling sites in the Grove Mountain area are relatively higher than those from sites along CHINARE transect, although all sites are at similar distance inland. This phenomenon indicates that the barri- er effect of the mountain may be the most important factor influencing ion deposition. In addition, nss-SO42- and MSA vary differently, with nss-SO42- decreasing with distance more significantly. This implies that sources and transporting pathways influence the deposition of the two sulfur compounds considerably, being supported by the spatial pattern of correlation coeffi- cients between the nss-SO42- and MSA.

关键词： marine chemicals sea-salt sulfur compounds lambert Basin

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O_(2)-generating multifunctional polymeric micelles for highly efficient and selective photodynamic-photothermal therapy in melanoma

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Chinese Chemical letters 2024年第7期35卷 394-399页

作者： Yu qin Mingyang Huang Chenlu Huang Hannah lPerry linhua Zhang Dunwan Zhu Tianjin Key laboratory of Biomedical Materials Key Laboratory of Biomaterials and Nanotechnology for Cancer ImmunotherapyInstitute of Biomedical EngineeringChinese Academy of Medical Sciences&Peking Union Medical CollegeTianjin 300192China Molecular Sciences Research Hub Department of ChemistryWhite City CampusImperial College LondonLondon W120BZUnited Kingdom

Photothermal therapy(PTT)and photodynamic therapy(PDT)have received tremendous attention owing to their great potential for tumor ***,two main issues hamper the antitumor performance of PDT:overexpression of glutathione(GSH)in tumors,which consumes PDT-induced reactive oxygen species(ROS),and hypoxia within the tumor *** drawbacks of PTT include uneven temperature distribution and the upregulation of the heat-shock proteins in tumors,both of which result in ineffective *** address these issues,a MnO_(2)doped nano-delivery system(HTIM-PMs)was synthesized by one-step self-assembly of disulfide bond bridged copolymers for indocyanine green(ICG)and MnO_(2)*** surface of polymeric micelles was layered with hyaluronan(HA)and transactivator(TAT)peptides to improve active targeting and increase cell *** internalization,HTIM-PMs showed responsiveness to the tumor microenvironment(acid pH,high glutathione,high H_(2)O_(2)).Breaking the disulfide bond reduced the intratumoral GSH level and simultaneously released the MnO_(2)and *** released MnO_(2)further reduced the GSH level and promoted O_(2)generation,thus enhancing the PDT *** PTT-mediated hyperthermia accelerated blood flow,which is beneficial for O_(2)distribution,and promotes ROS *** PTT-mediated adjuvant effects further overcame the limitations of PDT and the robust PDT effect in turn compensated for the deficiency of *** promising platform exhibited a significant improvement in the PTT-PDT cancer treatment strategy compared to previously reported nanostructures.

关键词： Photodynamic therapy Photothermal therapy Oxygen generating One-step self-assembly Stimuli-responsive nanoparticles

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Hydrogen Sulfide Alleviates Aluminum Toxicity in Germinating Wheat Seedlings

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Journal of Integrative Plant Biology 2010年第6期52卷 556-567页

作者： Hua Zhang Zhu-qin Tan lan-Ying Hu Song-Hua Wang Jian-Ping luo Russell l. Jones School of Biotechnology and Food Engineering Hefei University of Technology Hefei 230009 China Department of Plant and Microbial Biology University of California Berkeley CA 94720 USA life Science College Anhui Science and Technology University Bengbu 233100 China

Protective role of hydrogen sulfide （H2S） on seed germination and seedling growth was studied in wheat （Triticum） seeds subjected to aluminum （Al3＋） stress. We show that germination and seedling growth of wheat is inhibited by high concentrations of AICI3. At 30 mmol/l AICI3 germination is reduced by about 50% and seedling growth is more dramatically inhibited by this treatment. Pre-incubation of wheat seeds in the H2S donor NaHS alleviates AICI3-induced stress in a dose-dependant manner at an optimal concentration of 0.3 mmol/l. We verified that the role of NaHS in alleviating Al3＋ stress could be attributed to H2S/HS- by showing that the level of endogenous H2S increased following NaHS treatment. Furthermore, other sodium salts containing sulfur were ineffective in alleviating Al3＋ stress. NaHS pretreatment significantly increased the activities of amylases and esterases and sustained much lower levels of MDA and H2O2 in germinating seeds under Al3＋ stress. Moreover, NaHS pretreatment increased the activities of guaiacol peroxidase, ascorbate peroxidase, superoxide dismutase and catalase and decreased that of lipoxygenase. NaHS pretreatment also decreased the uptake of Al3＋ in AICI3-treated seed. Taken together these results suggest that H2S could increase antioxidant capability in wheat seeds leading to the alleviation of Al3＋ stress.

关键词： EFFECT of aluminum on plants HYDROGEN sulfide WHEAT PlANT nutrients SEEDS -- Growth ESTERASES SODIUM salts PEROXIDASE

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Anatomical Study on the Multi-Ovule Development and Abortion of Hanfu Apple

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Journal of Integrative Agriculture 2014年第4期13卷 770-777页

作者： YANG Xu-yuan MA Huai-yu lIU Guo-cheng lü De-guo qin Si-jun DU Guo-dong College of Horticulture Shenyang Agricultural University/Key Laboratory for Northern Fruit Trees Cultivation and Physio-Ecology of Shenyang City

The terminal flower buds of 6-yr-old Hanfu apple were used to study the ovule development, ovular characteristics, cell death of abortive ovules, and dynamic change of starch grain quantity in the embryo sac with paraffin slices and terminal deoxynucleotidyl transferase-mediated fluorescein deoxyuridine triphosphate nick-end labeling （TUNEl） system. Four anatropous ovules in each ventricle could be observed before flowering. With the developing of floral organ, the bulk of normal ovules enlarged in each ventricle, the mature embryo sac differentiated into nucellus, and the egg cell developed into zygote by double fertilization. A large number of starch grains were observed during pollen tube growth and double fertilization, which guaranteed basic nutrient supply in the normal development of ovules. Moreover, abortion phenomenon of runtish ovules emerged at the stages of mature embryo sac, double fertilization and zygote development. The abortion characteristics included deformity of ovule development, degradation of nucellus tissue, separation between funiculus and ovule, abnormality of four-nucleate embryo sac, as well as development interruption of mature embryo sac. TUNEl analysis proved that ovule abortion was programmed cell death.

关键词： Hanfu apple multi-ovule abortion programmed cell death starch grain

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The combination of NlMIP and Gαi/q coupled-receptor NlA10promotes abdominal vibration production in female Nilaparvata lugens(Stal)

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Journal of Integrative Agriculture 2023年第8期22卷 2470-2482页

作者： SU qin lü Jun lI Wan-xue CHEN Wei-wen lUO Min-shi ZHANG Chuan-chuan ZHANG Wen-qing State Key laboratory of Biocontrol School of Life SciencesSun Yat-sen University Department of Forensic Medicine Zhongshan School of MedicineSun Yat-sen University

For various sexually mature insects,including the brown planthopper(BPH,Nilaparvata lugens),the abdominal vibration(AV)signal is the initiation of the mating process,and itiscritical to the ***,there are few studies on the genetic and molecular mechanisms of AV *** AV-related transcriptomic study in female BPH identified myoinhibitory peptide(NlMIP)as a gene that potentially affects AV statusinfemales,buthow NlMIP affects AV status remains *** this study,we confirmed that NlMIP regulates AV production and mating behavior in female *** the RNAi knockdown efficiency of NlMIP was 59.00%,the probability of females producing AV and the mating rate in 1 h decreased by 38.89 and 61.11%,*** addition,six mature peptides of NlMIP were synthesized and they were able to regulate AV production and mating behavior in females,with NlMIP2having the strongest *** A-family neuropeptide GPCR 10(NlA10)was found to be a potential receptor for NlMIP based on a phylogenetic tree analysis and the fact that NlMIP mature peptides effectively activated *** NlA10was knocked down,the probability of females producing AV and the mating rate in 1 h had reductions of 28.89 and 43.33%,*** activated by NlMIP2,NlA10 coupled the Gαi/q signalling pathways,thereby inhibiting the downstream AC/cAMP/PKA,activating the PlC/Ca^(2+)/PKC signalling pathways and then activating MEK1/2 in a cascade to mediate the phosphorylation of ERK1/2,and finally regulating the AV of *** results provide a basis for the prevention and control of the brown planthopper pest by disrupting female AV.

关键词： abdominal vibration mating disruption myoinhibitory peptide(MIP) NIA10 GPCR brown planthopper

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Distribution Characteristics of Geohazards Induced by the lushan Earthquake and Their Comparisons with the Wenchuan Earthquake

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Journal of Earth Science 2014年第5期25卷 912-923页

作者： Zhiqiang Yin Wuji Zhao Xiaoguang qin Institute of Geology and Geophysics Chinese Academy of Sciences China Institute of Geo-Environment Monitoring School of Earth Sciences and Resources China University of Geosciences

The lushan Earthquake induced a large number of geohazards. They are widely distributed and caused serious damages. The basic characteristics, formation mechanisms and typical cases of geohazards induced by lushan Earthquake are described, and compares to the relationships of lushan and Wenchuan earthquakes between geohazards and earthquake magnitude, geomorphology, slope angle, elevation and seismic intensity in the most affected areas in the article.（1） The numbers and volumes of landslides and rockslides differ significantly between the two earthquakes due to their differing magnitudes. The lushan Earthquake is associated with fewer and smaller-magnitude geohazards, within the immediate area, which mainly consist of small-and medium-sized shallow landslides and rockslides, and occur on steep slopes and mountain valleys. The largest landslide induced by lushan Earthquake is the Gangoutou landslide debris flow with a residual volume of about 2.48×106 m3. The most dangerous debris flow is at lengmugou gulley in Baoxing County, which has similar geomorphological features and disaster modes as a previous disaster in Zhouqu County, Gansu Province.（2） Geohazards induced by the lushan Earthquake show four mechanisms： cracking-rockslides-collision- scraping and then debris flows, cracking-rockslides, vibration-rainfall-rockslides-landslide and then debris flow, vibration-throwing or scrolling.（3） There are significant similarities and differences between the geohazards induced by these two earthquakes. The types of geohazards are the same but the volume, quantity and other factors differ： geohazards are concentrated on slope angles of 10°-40° in the lushan Earthquake area, especially within 10°-20°, and at absolute elevation of 500-2000 m above sea level（a.s.l.）. Geohazards within the Wenchuan Earthquake area are concentrated on steeper slope angles of 30°-40° at higher absolute elevations of 1500-2000 m.s.l..

关键词： lushan Earthquake Wenchuan Earthquake geohazards basic characteristics comparison.

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Effective migration system of coalbed methane reservoirs in the southern qinshui Basin

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Science China Earth Sciences 2014年第12期57卷 2978-2984页

作者： WU CaiFang qin Yong ZHOU longGang School of Resource and Earth Sciences China University of Mining & Technology Key laboratory of CBM Resource and Formation History Ministry of Education

Effective migration system of coalbed methane(CBM)reservoir,which was controlled by development degree and opening-closing degree of fractures,determines the permeability of coal reservoir and can be characterized by the pore-fracture system in the extrinsic *** this paper,based on coal matrix elastic self-regulating effect theory and coal reservoir combined elastic energy theory,the fracture opening-closing degree parameterΔand the fracture development degree parameterξare suggested for the quantitative study of the effective migration system of CBM reservoir in southern qinshui ***,the control functions ofξandΔto CBM enrichment and high production are *** results show that in present stage the area with highξvalue is located in Anze and qinyuan,and then Zhengzhuang and Fangzhuang,where fracture development degree is *** area with highΔvalue is located in Zhengzhuang and Fanzhuang,and then Anze and qinyuan,indicating where coal matrix elastic self-regulating positive effect dominates and fractures tend to be *** the comprehensive analysis onξandΔ,it can be found that their best match area is located in Zhengzhuang and Fanzhuang,with high values for fracture development degree and opening-closing degree probably bringing about high fluid pressure and good permeability of reservoirs,which are advantageous to an abundant CBM production.

关键词： CBM reservoirs effective migration system opening-closing degree of fracture development degree of fracture permeability

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