Comprehension-driven design of advanced multi-block single-ion conducting polymer electrolytes for high-performance lithium-metal batteries

The continuously growing importance of batteries for powering(hybrid)electric vehicles and storing renewable energy has prompted a renewed focus on lithium-metal batteries(LMBs)in recent years,as its high theoretical specific capacity of about 3860 mA h g^(-1) and very low redox potential(-3.04 V vs.the standard hydrogen electrode)promise substantially higher energy densities compared to current lithium-ion batteries(LIBs)[1].However,lithium metal electrodes face severe challenges associated with the risk of dendritic lithium deposition and the high reactivity with traditional organic liquid electrolytes,resulting in a continuous loss of electrochemically active lithium and a relatively low Coulombic efficiency[2].To address these challenges,solid inorganic and polymer electrolytes have emerged as a potentially saferalternative.

Recycled graphite for more sustainable lithium-ion batteries

The demand for lithium-ion batteries(LIBs)is driven largely by their use in electric vehicles,which is projected to increase dramatically in the future.This great success,however,urgently calls for the efficient recycling of LIBs at the end of their life.Herein,we describe a froth flotation-based process to recycle graphite—the predominant active material for the negative electrode—from spent LIBs and investigate its reuse in newly assembled LIBs.It has been found that the structure and morphology of the recycled graphite are essentially unchanged compared to pristine commercial anode-grade graphite,and despite some minor impurities from the recycling process,the recycled graphite provides a remarkable reversible specific capacity of more than 350 mAh g^(−1).Even more importantly,newly assembled graphite‖NMC532 cells show excellent cycling stability with a capacity retention of 80%after 1000 cycles,that is,comparable to the performance of reference full cells comprising pristine commercial graphite.

Fiber Bundle Topology Optimization for Surface Flows

This paper presents a topology optimization approach for the surface flows on variable design domains.Via this approach,the matching between the pattern of a surface flow and the 2-manifold used to define the pattern can be optimized,where the 2-manifold is implicitly defined on another fixed 2-manifold named as the base manifold.The fiber bundle topology optimization approach is developed based on the description of the topological structure of the surface flow by using the differential geometry concept of the fiber bundle.The material distribution method is used to achieve the evolution of the pattern of the surface flow.The evolution of the implicit 2-manifold is realized via a homeomorphous map.The design variable of the pattern of the surface flow and that of the implicit 2-manifold are regularized by two sequentially implemented surface-PDE filters.The two surface-PDE filters are coupled,because they are defined on the implicit 2-manifold and base manifold,respectively.The surface Navier-Stokes equations,defined on the implicit 2-manifold,are used to describe the surface flow.The fiber bundle topology optimization problem is analyzed using the continuous adjoint method implemented on the first-order Sobolev space.Several numerical examples have been provided to demonstrate this approach,where the combination of the viscous dissipation and pressure drop is used as the design objective.

高强化柴油机铝活塞销孔开裂分析及改进

基于失效机理分析某国六高强化柴油机铝活塞耐久试验中销孔开裂问题,发现活塞失效的主要原因为活塞销椭圆变形过大,导致销孔部位水平方向受力较大,疲劳强度不足。通过将活塞销孔由圆柱孔改为椭圆孔、在活塞销孔部位预留空间、将活塞销内孔喇叭口改为通孔等措施对销孔结构进行改进,采用有限元分析软件对改进方案进行模拟计算,并结合销孔疲劳试验和耐久试验进行验证。结果表明:改进后的活塞销孔平均负载增加约6.5%,改进后未出现活塞销孔开裂问题。

满足国六排放标准的直列4缸轻型柴油机活塞销孔和活塞销设计

针对轻型柴油机活塞销孔部位失效问题,设计4种满足国六排放标准的直列4缸轻型柴油机活塞销孔和活塞销方案。利用有限元分析软件对其进行模拟计算,对活塞销孔接触应力和疲劳,以及活塞销应变和疲劳进行比较;同时,为验证模拟分析的准确性,根据实际情况对其中3种方案进行了销孔液压脉冲试验验证,试验结果与模拟结果吻合良好。设计方案可为高强化柴油机活塞和活塞销设计及失效改进提供参考.

Non-crossing Quantile Regression Neural Network as a Calibration Tool for Ensemble Weather Forecasts

Despite the maturity of ensemble numerical weather prediction(NWP),the resulting forecasts are still,more often than not,under-dispersed.As such,forecast calibration tools have become popular.Among those tools,quantile regression(QR)is highly competitive in terms of both flexibility and predictive performance.Nevertheless,a long-standing problem of QR is quantile crossing,which greatly limits the interpretability of QR-calibrated forecasts.On this point,this study proposes a non-crossing quantile regression neural network(NCQRNN),for calibrating ensemble NWP forecasts into a set of reliable quantile forecasts without crossing.The overarching design principle of NCQRNN is to add on top of the conventional QRNN structure another hidden layer,which imposes a non-decreasing mapping between the combined output from nodes of the last hidden layer to the nodes of the output layer,through a triangular weight matrix with positive entries.The empirical part of the work considers a solar irradiance case study,in which four years of ensemble irradiance forecasts at seven locations,issued by the European Centre for Medium-Range Weather Forecasts,are calibrated via NCQRNN,as well as via an eclectic mix of benchmarking models,ranging from the naïve climatology to the state-of-the-art deep-learning and other non-crossing models.Formal and stringent forecast verification suggests that the forecasts post-processed via NCQRNN attain the maximum sharpness subject to calibration,amongst all competitors.Furthermore,the proposed conception to resolve quantile crossing is remarkably simple yet general,and thus has broad applicability as it can be integrated with many shallow-and deep-learning-based neural networks.

Activation of 2D MoS_(2) electrodes induced by high-rate lithiation processes

MoS_(2) is a highly promising material for application in lithium-ion battery anodes due to its high theoretical capacity and low cost.However,problems with a fast capacity decay over cycling,especially at the first cycles,and poor rate performance have deterred its practical implementation.Herein,electrodes comprised solely of few-layers 2D MoS_(2) nanosheets have been manufactured by scalable liquid-phase exfoliation and spray deposition methods.The long-standing controversy questioning the reversibility of conversion processes of MoS_(2)-based electrodes was addressed.Raman studies revealed that,in 2D MoS_(2) electrodes,conversion processes are indeed reversible,where nanostructure played a key role.Cycling of the electrodes at high current rates revealed an intriguing phenomenon consisting of a continuously increasing capacity after ca.100-200 cycles.This phenomenon was comprehensively addressed by a variety of electrochemical and microscopy methods that revealed underlying physical activation mechanisms that involved a range of profound electrode structural changes.Activation mechanisms delivered a capacitive electrode of a superior rate performance and cycling stability,as compared to the corresponding pristine electrodes,and to MoS_(2) electrodes previously reported.Herein,we have devised a methodology to overcome the problem of cycling stability of 2D MoS_(2) electrodes.Moreover,activation of electrodes constitutes a methodology that could be applied to enhance the energy storage performance of electrodes based on other 2D nanomaterials,or combinations thereof,strategically combining chemistries to engineer electrodes of superior energy storage properties.

Trace-element geochemistry and S–O isotopes in the fluorite-barite mineralization of Merguechoum,Moroccan eastern Meseta:insights into ore genesis to the Pangea rifting

The Merguechoum fluorite-barite mineralization,located in the Eastern Meseta of Morocco,is hosted in the Late Hercynian granite.The ore consists of fine crystals of fluorite 1,massive barite 1,euhedral crystals of fluorite 2,and barite 2 with calcite and minor quartz and sulfides.The Merguechoum ore deposits have never been investigated.This study was the first contribution that studied the genesis of fluorite and barite.The ore occurs as dissemination within granite intrusion and also fills the NE-SWtrending meter-sized fractures and faults.The values of the total Rare Earth Elements and Yttrium(REY)and the ratios of LREY/HREY,Y/Ho,Tb/Ca,and Tb/La indicate that the Merguechoum fluorite precipitated from hydrothermal fluids,likely basinal brines,which interacted with the Hercynian granite.The REY data indicate that the ore-forming fluids of the early stage have intensely interacted with the Hercynian granite compared to those of the late ore stage.The gradual decrease in the europium(Eu/Eu^(*)),yttrium(Y/Y^(*)),and cerium(Ce/Ce^(*))anomalies and a low concentration ofΣREY observed in the second ore stage compared to the first ore stage suggest an increase in p H and fO_(2)and by inference a decrease in temperature during the evolution of the hydrothermal system.This evolution could be explained by fluid mixing between the ascending basinal hydrothermal fluids and the diluted sulfate-rich meteoric water barite separates from selected samples reveal that the dissolved sulfates(SO_(4)^(2-))were derived from Permian–Triassic sulfates and/or coeval poreseawater sulfates.The proposed fluid mixing triggered the precipitation of an early-stage F-Ba assemblage followed by the second-stage F-Ba mineralization.Geologic fieldwork,REY inventories,and isotope data point to the ore genesis during the Permian–Triassic extensional tectonic activity concerning the Pangea rifting.This extensional tectonic environment is likely the driving force that mobilized a large amount of the ore-forming basinal brines along the available faults and fractures to the loci of ore deposition.

Topology Optimization for Steady-State Navier-Stokes Flow Based on Parameterized Level Set Based Method

In this paper,we consider solving the topology optimization for steady-state incompressibleNavier-Stokes problems via a new topology optimization method called parameterized level set method,which can maintain a relatively smooth level set function with a local optimality condition.The objective of topology optimization is to􀀀nd an optimal con􀀀guration of theuid and solid materials that minimizes power dissipation under a prescribeduid volume fraction constraint.An arti􀀀cial friction force is added to the Navier-Stokes equations to apply the no-slip boundary condition.Although a great deal of work has been carried out for topology optimization ofuidow in recent years,there are few researches on the topology optimization ofuidow with physical body forces.To simulate theuidow in reality,the constant body force(e.g.,gravity)is considered in this paper.Several 2D numerical examples are presented to discuss the relationships between the proposed method with Reynolds number and initial design,and demonstrate the feasibility and superiority of the proposed method in dealing with unstructuredmesh problems.Three 3D numerical examples demonstrate the proposedmethod is feasible in three-dimensional.

Stepwise optimization of single-ion conducting polymer electrolytes for high-performance lithium-metal batteries

Single-ion conducting polymer electrolytes(SIPEs)are promising candidates for high-energy and highsafety lithium-metal batteries(LMBs).However,their insufficient ionic conductivity and electrochemical stability hinder their practical application.Herein,three new SIPEs,i.e.,poly(1,4-phenylene ether ether sulfone)-Li(PEES-Li),polysulfone-Li(PSF-Li),and hexafluoropolysulfone-Li(6FPSF-Li),all containing covalently tethered perfluorinated ionic side chains,have been designed,synthesized,and compared to investigate the influence of the backbone chemistry and the concentration of the ionic group on their electrochemical properties and cell performance.Especially,the trifluoromethyl group in the backbone and the concentration of the ionic function appear to play an essential role for the charge transport and stability towards oxidation,and the combination of both yields the best-performing SIPE with high ionic conductivity of ca.2.5×10^(-4)S cm^(-1),anodic stability of more than 4.8 V,and the by far highest capacity retention in Li‖LiNi0.6Co0.2Mn0.2O2cells.

Targeting new ways for large-scale,high-speed surface functionalization using direct laser interference patterning in a roll-to-roll process

Direct Laser Interference Patterning(DLIP)is used to texture current collector foils in a roll-to-roll process using a high-power picosecond pulsed laser system operating at either fundamental wavelength of 1064 nm or 2nd harmonic of 532 nm.The raw beam having a diameter of 3 mm@1/e^(2) is shaped into an elongated top-hat intensity profile using a diffractive so-called FBS■-L element and cylindrical telescopes.The shaped beam is split into its diffraction orders,where the two first orders are parallelized and guided into a galvanometer scanner.The deflected beams inside the scan head are recombined with an F-theta objective on the working position generating the interference pattern.The DLIP spot has a line-like interference pattern with about 15μm spatial period.Laser fluences of up to 8 J cm^(-2) were achieved using a maximum pulse energy of 0.6 mJ.Furthermore,an in-house built roll-to-roll machine was developed.Using this setup,aluminum and copper foil of 20μm and 9μm thickness,respectively,could be processed.Subsequently to current collector structuring coating of composite electrode material took place.In case of lithium nickel manganese cobalt oxide(NMC 622)cathode deposited onto textured aluminum current collector,an increased specific discharge capacity could be achieved at a C-rate of 1℃.For the silicon/graphite anode material deposited onto textured copper current collector,an improved rate capability at all C-rates between C/10 and 5℃ was achieved.The rate capability was increased up to 100%compared to reference material.At C-rates between C/2 and 2℃,the specific discharge capacity was increased to 200 mAh g^(-1),while the reference electrodes with untextured current collector foils provided a specific discharge capacity of 100 m Ah g^(-1),showing the potential of the DLIP technology for cost-effective production of battery cells with increased cycle lifetime.

智能化集控技术与工业硅生产线的契合点

随着国家高质量发展的需求不断深入,智能化、可视化的矿热炉生产线也是行业技术水平提升的急迫需求.本文旨在从钢铁生产线智控中心呈现的智能化控制水平中吸收可靠、成熟的控制理念,将部分相似工序的自动化控制思路加以整合、优化,使之能尽快地转化到工业硅各生产工序中,为加快实现矿热炉生产流程的智能控制提供基础.

大型半封闭矿热炉用静压过渡集排烟罩

介绍了大型工业硅半封闭矿热炉用的静压过渡集排烟罩的设计,通过对工业硅炉口反应产物的稳定燃烧进行火源模拟,结合燃烧产生的火烟羽流生成机理、流动机理、防排烟系统设计原理对烟罩进行优化,强化烟罩均压、导向缓、冲、储烟等排烟作用,并分析了烟罩对实际生产过程中容易出现的炉门漏烟、吸穿带料、塌料冒烟等问题的抑制作用.为静压过渡集排烟罩的成功应用提供理论基础,助力烟罩的推广应用.

Effect of Temperature on Photovoltaic Solar Cell Cadmium Telluride Thin Film

Solar cell technology comes with unique temperature coefficients. These temperature coefficients are important and temperature of the solar cell has direct influence on the power output of a photovoltaic cells. CdTe is a very robust and chemically stable material and for this reason its related solar cell. Thin film photovoltaic technology is now the only thin film technology in the first top 10 producers in the world. The strong improvement in efficiency in the last 7 years was obtained by a new redesign of the CdTe solar cell device reaching a single solar cell. In this paper, we describe the fabrication process following the history of the solar cell as it was developed in the early years up to the latest development and changes. The configuration of fabricated cell is n-CdTe/NaOH (0.15 M) + S (0.15 M) + Na2S (0.15 M)/C(graphite). The junction ideality factor was found to be 2.63, 2.13, and 1.89. The flat band potential is found to be -0.400, -0.450, -0.501 V. The barrier height value was found to be 0.523, 0.487, and 0.436 eV. The study of power output characteristic shows open circuit voltage, short circuit current, fill factor and efficiency were found to be 120 mV, 24.2 μA, 32.68%, 26.18%, and 19.73% and 0.63%, 0.37%, and 0.23%, respectively. The lighted ideality factor was calculated and found to be 3.26, 1.87, and 1.17. Spectra attain maximum value of current at λ = 580 nm and decrease with increase in wavelength. The photovoltaic cell characterization of the thin films is carried out by studying current-voltage characteristics in dark, capacitance-voltage in dark, barrier height measurements, power output characteristics.

Accurate surface normal representation to facilitate gradient coil optimization on curved surface

The design methods for gradient coils are mostly based on discrete extrinsic methods(e.g.,the BioteSavart integration calculation),for which the surface normal vector strongly influences any numerical calculation of the discretized surface.Previous studies are mostly based on regular or analytical surfaces,which allow normal vectors to be expressed analytically.For certain applications,design methods for extending currentcarrying surfaces from developable or analytic geometries to arbitrary surfaces generated from a scanned point cloud are required.The key task is to correctly express the discretized normal vectors to ensure geometrical accuracy of the designed coils.Mathematically,it has been proven that applying a Delaunay triangulation to approximate a smooth surface can result in the discrete elemental normal vectors converging to those of the original surface.Accordingly,this article uses Delaunay triangulation to expand upon previous design methods so that they encompass arbitrary piecewise continuous surfaces.Two design methods,the stream function and the so-called solid isotropic material with penalization(SIMP)method,are used to design circumvolute and noncircumvolute gradient coils on general surfaces.

Origami-inspired perovskite X-ray detector by printing and folding

X-ray detectors are of pivotal importance for the scientific and technological progress in a wide range of medical,industrial,and scientific applications.Here,we take advantage of the printability of perovskite-based semiconductors and achieve a high X-ray sensitivity combined with the potential of an exceptional high spatial resolution by our origami-inspired folded perovskite X-ray detector.The high performance of our device is reached solely by the folded detector architecture and does not require any photolithography.The design and fabrication of a foldable perovskite sensor array is presented and the detector is characterized as a planar and as a folded device.Exposed to 50 kVp−150 kVp X-ray radiation,the planar detector reaches X-ray sensitivities of 25−35μC/(Gyaircm^(2)),whereas the folded detector achieves remarkably increased X-ray sensitivities of several hundredμC/(Gyaircm^(2))and a record value of 1409μC/(Gyaircm^(2))at 150 kVp without photoconductive gain.Finally,the potential of an exceptional high spatial resolution of the folded detector of more than 20 lp/mm under 150 kVp X-ray radiation is demonstrated.

车用锂离子电池低温特性与加热方法研究进展

鉴于低温条件下动力电池功率特性变差,充放电效率下降,制约了电动汽车的发展,一方面通过对不同规格、不同材料体系的动力电池进行低温放电、充电、交流阻抗谱特性测试,分析制约锂离子动力电池低温性能的关键因素;另一方面,从动力电池热管理角度出发,对目前低温加热技术的研究进展进行综述,旨在为改善动力电池低温性能和对动力电池低温热管理技术的进一步研究提供指导。

北京市PM2.5对DNA的氧化性损伤规律分析

运用质粒DNA损伤评价法,在北京市2010年6月至2011年6月全年的大气PM2.5样品中,选取每月的2个样品(包括正常和雾霾天气),共24个样品进行实验,分析其氧化性损伤能力的变化规律及其与采样条件的相互关系.结果表明,北京市大气颗粒物全样的氧化性损伤能力等于或略大于相应的水溶组分,说明颗粒物氧化性损伤能力多来自于水溶组分,大气颗粒物对DNA损伤率呈现在50,100,150,200 g/mL剂量水平下依次递增的规律,即随剂量的增加而增加;雾霾天气下DNA损伤率出现高值;4月和6月的DNA损伤率在全年中较高.其他月份正常天气条件下损伤率均较低,在200 g/mL剂量下损伤率基本低于50%;损伤率与环境平均温度和湿度呈正相关,与平均大气压强和日平均风速呈负相关,相关性大小顺序为:环境平均温度>平均大气压强>平均湿度>日平均风速.

地气溶胶勘查地球化学方法及其在金窝子金矿中的应用

论述了将气溶胶理论和技术应用于深部隐伏矿找矿的基本问题。深部矿物质能够穿越矿体覆盖层到达地表，主要是通过气体携带质粒向上迁移，这种迁移发生的基本条件是质粒可以稳定悬浮于气体中并随之流动。气溶胶理论表明，直径在0．1～2．5μm的质粒在气体中最稳定，质粒过小或过粗都不可能较长时间悬浮于气体中。气溶胶的另一个理论要点是，直径小于2．5μm的固体质粒不可能通过机械碾磨方式形成。这两个气溶胶理论要点是深部金属矿生成气溶胶级别的质粒并进入气体向上迁移的基础。将气溶胶理论和技术应用于新疆金窝子隐伏金矿床找矿试验，结果表明，在210隐伏矿上方和矿体倾斜面上方有明显的金异常和金伴生元素异常，异常程度高，出露面积大。这一实验证明了通过提取吸附于地表土壤中的地气溶胶质粒，并分析其元素含量的气溶胶找矿方法，具有良好效果。

浅谈集成计算材料工程和材料基因工程：思想及实践

革新材料研发模式、加速材料研发进程并降低材料研发成本是世界各国共同关注的热点。集成计算材料工程和材料基因工程是近年来材料科学与工程领域新颖的理念和方法,二者均为新材料研究与开发带来了全新的认识与机遇。集成计算材料工程是材料基因工程的基本组成元素。材料基因工程主要包括高通量实验、高通量计算和材料数据库三大要素。材料基因工程将集成计算材料工程的理念扩展到了整个材料科学、技术与工程链条,贯穿于从新材料发现到应用的全部过程。作为新材料研发的新模式,集成计算材料工程和材料基因工程必将为新材料研发起到不可替代的作用。简要回顾了材料研究的发展历程及存在的主要问题,详细介绍了材料基因工程与集成计算材料工程之间内在联系与区别。通过4个应用实例(梯度硬质合金、CVD耐磨涂层、锂离子电池、铝合金),展示了集成计算材料工程和材料基因工程在材料研发中的强大功能,为材料设计和开发提供了新思路。最后展望了集成计算材料工程和材料基因工程未来发展的重点及趋势。