In-situ structural evolution analysis of Zr-doped Na_(3)V_(2)(PO_(4))_(2)F_(3) coated by N-doped carbon layer as high-performance cathode for sodium-ion batteries

With great superiorities in energy density,rate capability and structural stability,Na_(3)V_(2)(PO_(4))_(2) F_(3)(NVPF)has attracted much attentions as cathode of sodium ion battery(SIB),but it also faces challenges on its poor intrinsic electronic conductivity and the controversial de/sodiation mechanism.Herein,a series of Zr-doped NVPF coated by N-doped carbon layer(~5 nm in thickness,homogenously)materials are fabricated by a sol-gel method,and the optimized heteroatom-doping amounts of Zr and N doping improve intrinsic properties on enlarging lattice distance and enhancing electronic conductivity,respectively.Specifically,among all samples of Na_(3) V_(2-x)Zr_(x)(PO_(4))_(2) F_(3)/NC(NVPF-Zr-x/NC,x=0,0.01,0.02,0.05,and 0.1),the optimized electrode of NVPF-Zr-0.02/NC delivers high reversible capacities(119.2 mAh g^(-1) at0.5 C),superior rate capability(98.1 mA h g^(-1) at 20 C)and excellent cycling performance.The structural evolution of NVPF-Zr-0.02/NC electrode,in-situ monitored by X-ray diffractometer,follows a step-wise Na-extraction/intercalation mechanism with reversible multi-phase changes,not just a solid-solutionreaction one.Full cells of NVPF-Zr-0.02/NC//hard carbon demonstrate high capacity(99.8 mA h g^(-1) at 0.5 C),high out-put voltage(3.5 V)and good cycling stability.This work is favorable to accelerate the development of high-performance cathode materials and explore possible redox reaction mechanisms of SIBs.

Fabrication and analysis of TIG welding-brazing butt joints of in-situ TiB2/7050 composite and TA2

Lightweight hybrid structures of Al MMCs and titanium alloy dissimilar materials have great prospect in the defence industry application. So, it is necessary to join Al MMCs with Ti metal to achieve this structural design. In this work, in-situ Ti B_(2)/7050 composite and TA2 were firstly attempted to join by TIG welding-brazing technique. The result was that the intact welding-brazing butt joint was successfully fabricated. The joint presents dual characteristics, being a brazing on TA2 side and a welding on Ti B_(2)/7050 side. At brazing joint side, ER4043 filler metal effectively wets on TA2 under TIG heating condition,and a continuous interfacial reaction layer with 1 e3 mm is formed at welded metal/TA2 interface. The whole interfacial reaction layers are composed of Ti(Al Si)3 intermetallic compounds(IMCs), but their morphologies at the different regions present obvious distinguishes. The microhardness of the reaction layers is as much as 141 e190 HV. At welding joints side, the fusion zone appears the equixaed crystal structure, and the grain sizes are much smaller than those of welded metal, which is attributed to the effect of Ti B2 particulates from the melted Ti B_(2)/7050 on acceleration formation and inhibiting growth for the new crystal nucleus. The tensile test results show that average tensile strength of the optimal welding-brazing joint is able to achieve 138 MPa. The failure of the tensile joint occurs by quasi-cleavage pattern, and the cracks initiate from the IMCs layer at the groove surface of TA2 and propagate into the welded metal.

A Data Analysis Framework for Earth System Simulation within an <i>In-Situ</i>Infrastructure

This paper presents a generic procedure to implement a scalable and high performance data analysis framework for large-scale scientific simulation within an in-situ infrastructure. It demonstrates a unique capability for global Earth system simulations using advanced computing technologies (i.e., automated code analysis and instrumentation), in-situ infrastructure (i.e., ADIOS) and big data analysis engines (i.e., SciKit-learn). This paper also includes a useful case that analyzes a globe Earth System simulations with the integration of scalable in-situ infrastructure and advanced data processing package. The in-situ data analysis framework can provides new insights on scientific discoveries in multiscale modeling paradigms.

A Novel Dinuclear Copper(Ⅱ)Complex:Synthesis,Crystal Structure,Properties and Hirshfeld Surface Analysis

A novel copper complex [Cu_2(L)(DMF)_2](1, H_4L =(1 Z,N?Z)-3,5-dibromo-N?-((3,5-dibromo-2-hydroxyphenyl)(hydroxy)methylene)-2-hydroxybenzohydrazonic acid which was synthesized by in-situ oxidation reaction derived from H_2hdb(H_2hdb = 6,6?-((1 E,1?E)-hydrazine-1,2-diylidenebis(methanylylidene)) bis(2,4-dibromophenol)) has been synthesized and characterized by IR, elemental analysis(CHN), TG and single-crystal X-ray diffraction. The single crystal belongs to monoclinic system, space group P21/c with a = 13.538(1), b = 3.912(1), c = 23.778(1) ?, β = 105.232(5)o, Mr = 857.08, V = 1214.9(1) ?~3, Z = 2, Dc = 2.343 g/cm^3, F(000) = 824, μ = 8.375 mm^(–1), R = 0.0566, and w R = 0.1610. Compound 1 displays weak anti-ferromagnetic interactions through a η~1:η~1:η~1:η~1:η~1:η~1:μ_2-L^(4-) bridging mode. Hirshfeld surface analysis revealed that complex 1 was supported mainly by Br···H and H···H intermolecular interactions.

Rapid analysis of metal ions and organic compounds in strong acidic solutions by nano-ESI mass spectrometry

Rapid analysis of metal ions and organic compounds in strong acidic solutions is of sustainable interest in multiple disciplines.However,complicated and time-consuming pretreatments are always required for MS analysis of the compounds in strong acidic solutions.Otherwise,it will result in a weak signal and cause serious damage to the mass spectrometer.Herein,a simple method inherited from nano-ESI MS was developed for rapid analysis of strong acidic solutions.Nanoliter(nL)strong acidic solution was first loaded in the nano-ESI emitter,followed by evaporation to remove the H+and leave the analytes on the wall of the nano-ESI emitter.The evaporation process can be completed within 1 min because of the extremely tiny volume(≤1 nL)of the loaded solution.Then,the dried analytes on the wall of the nano-ESI emitter were redissolved by loading a new solvent,followed by nano-ESI MS analysis.By using this method,metal ions and organic compounds in the strong acidic solution can be detected with low sample consumption(1 nL),high speed(<2 min/sample),high sensitivity(limit of detection=0.2µg/L),and high accuracy(>90%).Proof-of-concept applications of the present method have been successfully achieved for the analysis of gastric juice(pH of the sample=1),monitoring reaction catalyzed by strong acid(pH of the system=0),and micro-area analysis of ores(pH of the extraction solvent=0),showing great application potential in multiple fields.

In-situ determination of onset lithium plating for safe Li-ion batteries

Lithium plating in working batteries has attracted wide attention in the exploration of safe energy storage. Establishing an effective and rapid early-warning method is strongly considered but quite challenging since lithium plating behavior is determined by diverse factors. In this contribution, we present a non-destructive electrochemical detection method based on transient state analysis and threeelectrode cell configuration. Through dividing the iR drop value by the current density, the as-obtained impedance quantity(R_(i)) can serve as a descriptor to describe the change of electrochemical reaction impedance on the graphite anode. The onset of lithium plating can be identified from the sharp drop of R_(i). Once the dendritic plated lithium occurs, the extra electrochemical reactions at the lithium interfaces leads to growing active area and reduced surface resistance of the anode. We proposed a protocol to operate the batteries under the limited capacity, which renders the cell with 98.2% capacity retention after 1000 cycles without lithium plating. The early-warning method has also been validated in in-situ optical microscopy batteries and practical pouch cells, providing a general but effective method for online lithium plating detection towards safe batteries.

Quantifying the impact of mineralogical heterogeneity on reactive transport modeling of CO_(2)+O_(2) in-situ leaching of uranium

CO_(2)+O_(2) in-situ leaching(ISL)of sandstonetype uranium ore represents the third generation of solution mining in China.In this study,reactive transport modeling of the interaction between hydrodynamic and geochemical reactions is performed to enable better prediction and regulation of the CO_(2)+O_(2) in-situ leaching process of uranium.Geochemical reactions between mining solutions and rock,and the kinetic uranium dissolution controlled by O_(2)(aq)and bicarbonate(HCO_(3)-)are considered in the CO_(2)+O_(2) ISL reactive transport model of a typical sandstone-hosted uranium ore deposit in northern China.The reactive leaching of uranium is most sensitive to the spatial distribution of the mineralogical properties of the uranium deposit.Stochastic geostatistical models are used to represent the uncertainty on the spatial distribution of mineral grades.A Monte Carlo analysis was also performed to simulate the uranium production variability over an entire set of geostatistical realizations.The ISL stochastic simulation performed with the selected geostatistical realizations approximates the uranium production variability well.The simulation results of the ISL reactive transport model show that the extent of the uranium plume is highly dependent on mineralogical heterogeneity.The uncertainty analysis suggests the effect of uranium grade heterogeneity was found to be important to improve the accurate capture of the uncertainty.This study provides guidance for the accurate simulation and dynamic regulation of the CO_(2)+O_(2) leaching process of uranium at the scale of large mining areas.

Improved Methods for In-situ Measurement Railway Noise Barrier Insertion Loss

Many countries which seek to understand the acoustic performance of railway noise barriers have established standards for the conduct of in-situ experiments.However,there are no universally acknowledged receiver positions for the evaluation of the barrier performance,a fact which may be leading to uncertainty over the noise reduction capabilities of available barriers.In terms of the descriptor of the barrier performance,the general recommendation is the A-weighted sound pressure level,although the latter is considered to underestimate low frequencies for railway noise barrier.Thus,in this study,the comparison of receiver positions and the descriptors among existing Chinese,ISO and European standards were investigated.Based upon a combination of diffraction theory and standards,a rearrangement of receiver positions and one-third-octave-band analysis were proposed.In addition,in line with improved methods,an in-situ measurement of insertion loss for a 1.5 mhigh railway noise barrier was designed and conducted.The results of the experiment validate as effective and applicable the new receiver positions.These results also suggest that one-third-octave-band analysis is indispensable.

Crystallization Behavior of Palm Kernel Oil Monitored by <i>In-Situ</i>Focused Beam Reflectance Measurement (FBRM) and Particles Video Microscope (PVM) during Suspension Crystallization

Crystallization behavior and kinetics study of palm kernel oil (PKO) were investigated using differential scanning calorimetry (DSC) by controlling cooling and reheating rate within a certain range of temperature. The evolution of morphology and particle counts was analyzed by focused beam reflectance measurement (FBRM) and particles video microscope (PVM) at the nucleation stage during suspension crystallization. The particle counts and morphological evolution from needle-like aggregations to amorphous form from PVM were observed during the initial crystallization stage, which meant that a phase transition was likely to occur. This work can give a better understanding of complicated fat system crystallization behavior and provide some critical instructions to control fractionation process.

Investigation on Thermal and Dimensional Stability of Epoxy Resin In-Situ Modified by Cyanate Ester Resin and Polydimethylsiloxane

The thermal and dimensional stability of epoxy resin(EP)in-situ modified by cyanate ester(CE)and polydimethylsiloxane(PDMS)are investigated by means of experiments and numerical simulation.Thermal gravimetric analysis(TGA)and differential scanning calorimeter(DSC)are used to analyze the heat resistance of the modified EP.The dimensional stability is characterized by the volume shrinkage of the series PDMS/CE/EP obtained by the density method.The chemical structure of the PDMS/CE/EP is analyzed by Fourier transform infrared spectroscopy(FTIR).The results of TGA and DSC indicate that the thermal stability of PDMS/CE/EP decreases firstly and then increases with the increase in the amount of CE.The addition of PDMS shows a slight effect on the thermal stability.The 40%CE makes the blending system exhibit the lowest initial decomposition temperature,which reduces by 15.5%and 40.8%compared with pure EP and CE,respectively.The FTIR results suggested that the influence of CE on the thermal stability of the modified EP is mainly ascribed to the generation of oxazolidinone ring with low thermal stability and the increase in the triazine ring with high thermal stability.The volume shrinkage measurement results show that the introduction of CE and PDMS are both beneficial to the improvement of the dimensional stability of the blending systems.The in-situ addition of 80%CE shows the lowest volume shrinkage of6.11%.The thermal stress distribution of PDMS/CE/EP generated during the solidification process is simulated by the finite element analysis.The results suggested that the introduction of 80%CE into EP results in the lowest thermal stress in the blending system,which indicates that the system has the lowest volume shrinkage,which agrees well with the experimental results.

Melt extraction and mineralization: A case study from the Shuangjianzishan supergiant Ag-Pb-Zn deposit(208 Mt), Inner Mongolia, NE China

The supergiant Shuangjianzishan(SJZ) Ag-Pb-Zn deposit is in the southern segment of the Great Hinggan Range(SGHR), northeast China. Previous studies suggest the ore-forming material and fluid originated from the magmatic system, and the mineralization age was consistent with the diagenetic age. However,the relationship between granitic magmatism and mineralization is still unclear in the SJZ. In this study, CH-O-He-Ar and in-situ S-Pb isotope analyses were conducted to determine the sources of ore-forming fluids and metals, which were combined with geochemistry data of SJZ granitoids from previous studies to constrain the relationship between the magmatism and the mineralization. The C-H-O-He-Ar-S-Pb isotopic compositions suggested the SJZ ore-forming material and fluids were derived from a magmatic source, which has mixed a small amount of mantle-derived materials. In addition, the disseminated sulfide from the syenogranite has comparable S-Pb isotopic composition with the sulfide minerals from ore veins,suggesting that the generation of the SJZ ore-forming fluids has a close relationship with the syenogranite magmatism. Combining with the geochemical characters of the syenogranite, the authors proposed that the mantle-derived fingerprint of the SJZ ore-forming fluid might be caused by the parent magma of the syenogranite, which was derived from partial melting of the juvenile lower crust, and underwent the residual melts segregated from a crystal mush in the shallow magma reservoir. The extraction of the syenogranite parent magma further concentrated the fertilized fluids, which was crucial to mineralization of the SJZ Ag-Pb-Zn deposit.

Temperature change along elevation and its effect on the alpine timberline tree growth in the southeast of the Tibetan Plateau

Smith fir （Abies georgei var. smithii）, which is the timberline constructive tree species in the cool slope of Mt. Sygera in the southeast ofTibet, plays a very important role in maintaining the timberline completeness and indicating global climate change. This study uses theinstrumental recorded meteorological data along the altitude from 3600 to 4400 m at every 200 m in the growing season, investigates the smithfir growth biomass from 2006 to 2010 in the same timberline ecotone, and makes a non-linear regression analysis to determine the relationshipbetween the alpine tree growth biomass and its in-situ environment condition. The results showed that the cool and warm slope share different airtemperature lapse rates, which were
0.48 C （100 m）
1 in the warm slope and
0.54 C （100 m）
1 in the cool slope, respectively. However, thedominant timberline tree species in the warm slope was Sabina saltuaria, and it can reach as high as 4570 m, which is approximately 170 mhigher than that in the cool slope. Moreover, the smith fir in the cool slope was only distributed in the range of elevation from approximately3600 to 4400 m. The altitude of approximately 3800 m was the appropriate altitude for the growing smith fir, where the mean air temperature inthe growing season was about 9.0 C, and the young smith fir tree can form more biomass. The results suggested that alpine forest chose asuitable environment where trees can grow more in the prolonged succession, but not in the warmer or cooler condition, it could be seen as abiological evidence for climate change.

地质样品Sr同位素激光原位等离子体质谱(LA-MC-ICP-MS)测定

Sr同位素在研究岩浆演化及其源区具有重要的示踪作用。MC-ICP-MS的出现为具有高Sr含量地质样品的激光原位Sr同位素测定变成了现实。本文利用Netpune MC-ICP-MS和193nm准分子激光联机,通过滨珊瑚、斜长石、磷灰石和钙钛矿等系列实验,建立了激光原位Sr同位素测定方法。实验结果表明,激光Sr同位素测定中Kr、Rb和稀土元素二价离子的干扰能够有效扣除,而钙聚合物的干扰在Neptune型MC-ICP-MS并不显著。不同激光参数的实验表明,大激光束斑产生更高信号强度,因而Sr同位素精度更高,同一激光束斑大小,激光脉冲频率对Sr同位素精度无明显影响。

Engineering the morphology/porosity of oxygen-doped carbon for sulfur host as lithium-sulfur batteries

Despite the intriguing merits of lithium-sulfur(Li-S) systems, they still suffer from the notorious‘‘shuttling-effect" of polysulfides. Herein, carbon materials with rational tailoring of morphology and pores were designed for strong loading/adsorption with the controlling of energy-storage ability.Through rational tailoring, it is strongly verified that such engineering of evolutions result in variational of sulfur immobilization in the obtained carbon. As expected, the targeted sample delivers a stable capacity of 925 m Ah g^(-1) after 100 loops. Supporting by the "cutting-off" manners, it is disclosed that mesopores in carbon possess more fascinated traits than micro/macropores in improving the utilization of sulfur and restraining Li_(2)S_x(4≤x≤8). Moreover, the long-chain polysulfide could be further consolidated by auto-doping oxygen groups. Supported by in-depth kinetic analysis, it is confirmed that the kinetics of ion/e-transfer during charging and discharging could be accelerated by mesopores, especially in stages of the formation of solid S_(8) and Li_(2)S, further improving the capacity of ion-storage in Li-S battery. Given this, the elaborate study provide significant insights into the effect of pore structure on kinetic performance about Li-storage behaviors in Li-S battery, and give guidance for improving sulfur immobilization.

Constraints on granite-related uranium mineralization in the Sanjiu uranium ore field,SE China provided by pyrite mineralogy,major and trace elements,S-He-Ar isotopes

The Sanjiu uranium ore field,located in the central of Zhuguangshan granitic batholith,is a newly discovered granite-related uranium ore field in South China.The main sulfide in the ore field is pyrite,which is closely related to uranium mineralization.The textures major and trace elements,S-He-Ar isotopes compositions of pyrites in ores of different grade were observed and/or analyzed by optical microscope,scanning electron microscope,electron microprobe,laser ablation inductively coupled plasma mass spectrometry,and noble gas mass spectrometer(Helix-SFT).It is observed that these U-related pyrites are generally euhedral-subhedral with dissolution textures,anhedral variety with colloform texture veinlet and fine particles,and the color of the associated minerals is mostly dark hue,such as purple-black fluorite dark-red hematite,and dark-green chlorite,etc.The analytical results show that the average compositions of major elements in pyrite are FeS1.944.Pyrites are characterized by S-deficiency,low content of Co and Th,and Co/Ni>1which indicate that these ores are of low-temperature hydrothermal origin.We found that the higher the grade of ore,the more deficient in S,the more obvious negative δ^34S,and the higher REE content(close to U-rich granitic pluton)of pyrite.The S-He-Ar isotopic compositions of various varieties of pyrites indicate that the ore-forming fluids mainly come from crust-derived fluids and mixed with mantle-derived fluids.

Morphological and phylogenetic diversity of magnetotactic bacteria and multicellular magnetotactic prokaryotes from a mangrove ecosystem in the Sanya River,South China

Magnetotactic bacteria(MTB)are morphologically and phylogenetically diverse prokaryotes commonly able to produce magnetic nanocrystals within intracellular membrane-bound organelles(i.e.,magnetosomes)and to swim along geomagnetic field lines.We studied the diversity of MTB in the samples collected from a mangrove area in the Sanya River,Hainan,South China,using microscopic and microbial phylogenetic methods.Results of microanalysis and observation in microscopy and energy dispersive X-ray spectroscopy(EDXS)reveal a highly morphological diversity of MTB including unicellular cocci,vibrios,rod-shaped bacteria,and three morphotypes of multicellular magnetotactic prokaryotes(MMPs).In addition,analysis of the 16S rRNA gene showed that these MTB were clustered into 16 operational taxonomic units affi liated to the Alpha-,Delta-,and Gamma-proteobacteria classes within the Proteobacteria phylum.Meanwhile,by using the coupled fluorescence and transmission electron microscopy analysis,rodshaped bacteria,vibrio,and cocci were phylogenetically and structurally identified at the single-cell level.This study demonstrated highly diverse MTB communities in the mangrove ecosystem and provide a new insight into the overall diversity of MTB.

Organic Petrologic Characteristicsand Hydrocarbon-Generating Significance of Epiphyton

The Epiphyton occurred in the carbonate rock of lower Paleozoic in North China was analyzed by using the optical and some micro-area methods such as Micro-FT-IR and TOF-SIMS. The result shows that tbe Epiphyton belonging to the calcic algae has a certain hydrocarbon-generating potential and the hydrocarbou-generating action may continue to the high mature stage.

Effective depth of dynamic compaction in embankment built with soils and rocks

Effective depth of dynamic compaction was summarized, and the advantages of dynamic compaction technology of effective depth were analyzed elaborately. The formula determining the reinforcement depth was deduced by using dimensional analysis method. The influential factors of hammer weight, hammer area, dry density of filling materials and filling materials types were comprehensively investigated. The formula of effective depth was established based on the definition of the dimensions analysis. Based on experimental results of in-situ dynamic compaction, the technology was applied to highway embankment filled with soils and rocks. From the comparison between the theoretical calculations and the experimental results, it is found that the theoretical results using the developed formula are close to experimental results.

An investigation of machine learning techniques to estimate minimum horizontal stress magnitude from borehole breakout

Borehole breakout is a widely utilised phenomenon in horizontal stress orientation determination,and breakout geometrical parameters,such as width and depth,have been used to estimate both horizontal stress magnitudes.However,the accuracy of minimum horizontal stress estimation from borehole breakout remains relatively low in comparison to maximum horizontal stress estimation.This paper aims to compare and improve the minimum horizontal stress estimation via a number of machine learning(ML)regression techniques,including parametric and non-parametric models,which have rarely been explored.ML models were trained based on 79 laboratory data from published literature and validated against 23 field data.A systematic bias was observed in the prediction for the validation dataset whenever the horizontal stress value exceeded the maximum value in the training data.Nevertheless,the pattern was captured,and the removal of systematic bias showed that the artificial neural network is capable of predicting the minimum horizontal stress with an average error rate of 10.16%and a root mean square error of 3.87 MPa when compared to actual values obtained through conventional in-situ measurement techniques.This is a meaningful improvement considering the importance of in-situ stress knowledge for underground operations and the availability of borehole breakout data.

Electrochemical and structural evolution of structured V_(2)O_(5) microspheres during Li-ion intercalation

With the development of stable alkali metal anodes,V_(2)O_(5) is gaining traction as a cathode material due to its high theoretical capacity and the ability to intercalate Li,Na and K ions.Herein,we report a method for synthesizing structured orthorhombic V_(2)O_(5) microspheres and investigate Li intercalation/deintercalation into this material.For industry adoption,the electrochemical behavior of V_(2)O_(5) as well as structural and phase transformation attributing to Li intercalation reaction must be further investigated.Our synthesized V_(2)O_(5) microspheres consisted of small primary particles that were strongly joined together and exhibited good cycle stability and rate capability,triggered by reversible volume change and rapid Li ion diffusion.In addition,the reversibility of phase transformation(a,e,d,c and xLixV_(2)O_(5))and valence state evolution(5+,4+,and 3.5+)during intercalation/de-intercalation were studied via in-situ X-ray powder diffraction and X-ray absorption near edge structure analyses.