Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical applicati...Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical application.Among all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve it.For fast screening,an enhanced model Dop Net FC using chemical formulas for the dataset is adopted to predict ionic conductivity.Finally,Li_(10)SrP_(2)S_(12)(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm^(-1)).In addition,an enhanced migration of lithium ion across the LSr PS/Li interface is found.Meanwhile,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103?),and enhanced ability to block additional electrons,all of which contribute to the stabilized interface.The applied theoretical atom substitution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes.展开更多
All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations ...All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.展开更多
The new model Hitachi fully automatic washing machine is made by the Shanghai Hitachi Shangling Machinery Co. Ltd, using Japanese Hitachi technology and equipment. The product adopts a smooth, clean and abrasion-corro...The new model Hitachi fully automatic washing machine is made by the Shanghai Hitachi Shangling Machinery Co. Ltd, using Japanese Hitachi technology and equipment. The product adopts a smooth, clean and abrasion-corrosion-proof tub made of stainless titanium alloy steel. The wash tub has a large capacity and does not damage the clothing. The rotation speed is 900 per minute. The drying ability is 10% higher than original展开更多
To meet the demands for highly advanced components with ultra precise contour accuracy and optical surface quality arising in the fields of photonics and optics, automotive, medical applications and biotechnology, con...To meet the demands for highly advanced components with ultra precise contour accuracy and optical surface quality arising in the fields of photonics and optics, automotive, medical applications and biotechnology, consumer electronics and renewable energy, more advanced production machines and processes have to be developed. As the complexity of machine tools rises steadily, the automation of manufacture increases rapidly, processes become more integrated and cycle times have to be reduced significantly, challenges of engineering efficient machine tools with respect to these demands expand every day. Especially the manufacture of freeform geometries with non-continuous and asymmetric surfaces requires advanced diamond machining strategies involving highly dynamic axes movements with a high bandwidth and position accuracy. Ultra precision lathes additionally equipped with Slow Tool and Fast Tool systems can be regarded as state-of-the-art machines achieving the objectives of high quality optical components. The mechanical design of such ultra precision machine tools as well as the mechanical integration of additional highly dynamic axes are very well understood today. In contrast to that, neither advanced control strategies for ultra precision machining nor the control integration of additional Fast Tool systems have been sufficiently developed yet. Considering a complex machine setup as a mechatronic system, it becomes obvious that enhancements to further increase the achievable form accuracy and surface quality and at the same time decrease cycle times and error sensitivity can only be accomplished by innovative, integrated control systems. At the Fraunhofer Institute for Production Technology IPT a novel, fully integrated control approach has been developed to overcome the drawbacks of state-of-the-art machine controls for ultra precision processes. Current control systems are often realized as decentralized solutions consisting of various computational hardware components for setpoint generation, machine control, HMI (human machine interface), Slow Tool control and Fast Tool control. While implementing such a distributed control strategy, many disadvantages arise in terms of complex communication interfaces, discontinuous safety structures, synchronization of cycle times and the machining accuracy as a whole. The novel control approach has been developed as a fully integrated machine control including standard CNC (computer numerical control) and PLC (programmable logic controller) functionality, advanced setpoint generation methods, an extended HMI as well as an FPGA (field programmable gate array)-based controller for a voice coil driven Slow Tool and a piezo driven Fast Tool axis. As the new control system has been implemented as a fully integrated platform using digital communication via EtherCAT, a continuous safety strategy could be realized, the error sensitivity and EMC susceptibility could be significantly decreased and the overall process accuracy from setpoint generation over path interpolation to axes movements could be enhanced. The novel control at the same time offers additional possibilities of automation, process integration, online data acquisition and evaluation as well as error compensation methods.展开更多
The knitting industry CAD/CAM system's development needs a solution of computer representation of the designed objects. One of them is a transformation of knitting rows and stitches form knitting pattern and its auto...The knitting industry CAD/CAM system's development needs a solution of computer representation of the designed objects. One of them is a transformation of knitting rows and stitches form knitting pattern and its automatic analysis is to control data from the knitting design data. A method of the pattern CAD system including the analyzing and the compiling of the pattern data was developed in this paper. By rasterizing the pattern map, the drafted pattern could be compiled into knitting row data and stitches. The storage format of knitting rows data and stitches data could be defined by analyzing the motion of computerized fiat knitting machine. By reassembling the control data, it could be analyzed into the execute data of the controller in computerized fiat knitting machine. This method mainly focused on the weak areas of multi-needle-bed technology and fully-fashioned knitting technology in inland and could be applied to most of control systems in the master-slave mode. The knitting row data and pattern row data in a " *. ptn" format file were integrated. Giving a corresponding analytic calculation process of control data and realizing independent development of the upper machine and the lower machine, the final knitting control data not only have low computation and transmission cost but also have fast transfer speeds.展开更多
In this paper, a parallel machine scheduling problem was considered , where the processing time of a job is a simple linear function of its starting time. The objective is to minimize makespan. A fully polynomial time...In this paper, a parallel machine scheduling problem was considered , where the processing time of a job is a simple linear function of its starting time. The objective is to minimize makespan. A fully polynomial time approximation scheme for the problem of scheduling n deteriorating jobs on two identical machines was worked out. Furthermore, the result was generalized to the case of a fixed number of machines.展开更多
This paper reviews the performances of some newly developed reluctance machines with different winding configurations,excitation methods,stator and rotor structures,and slot/pole number combinations.Both the double la...This paper reviews the performances of some newly developed reluctance machines with different winding configurations,excitation methods,stator and rotor structures,and slot/pole number combinations.Both the double layer conventional(DLC-),double layer mutually-coupled(DLMC),single layer conventional(SLC-),and single layer mutually-coupled(SLMC-),as well as fully-pitched(FP)winding configurations have been considered for both rectangular wave and sinewave excitations.Different conduction angles such as unipolar120°elec.,unipolar/bipolar180°elec.,bipolar240°elec.and bipolar360°elec.have been adopted and the most appropriate conduction angles have been obtained for the SRMs with different winding configurations.In addition,with appropriate conduction angles,the 12-slot/14-pole SRMs with modular stator structure is found to produce similar average torque,but lower torque ripple and iron loss when compared to non-modular 12-slot/8-pole SRMs.With sinewave excitation,the doubly salient synchronous reluctance machines with the DLMC winding can produce the highest average torque at high currents and achieve the highest peak efficiency as well.In order to compare with the conventional synchronous reluctance machines(SynRMs)having flux barriers inside the rotor,the appropriate rotor topologies to obtain the maximum average torque have been investigated for different winding configurations and slot/pole number combinations.Furthermore,some prototypes have been built with different winding configurations,stator structures,and slot/pole combinations to validate the predictions.展开更多
A scheme that can realize homomorphic Turing- equivalent privacy-preserving computations is proposed, where the encoding of the Turing machine is independent of its inputs and running time. Several extended private in...A scheme that can realize homomorphic Turing- equivalent privacy-preserving computations is proposed, where the encoding of the Turing machine is independent of its inputs and running time. Several extended private information retrieval protocols based on fully homomorphic encryption are designed, so that the reading and writing of the tape of the Turing machine, as well as the evaluation of the transition function of the Turing machine, can be performed by the permitted Boolean circuits of fully homomorphic encryption schemes. This scheme overwhelms the Turing-machine-to- circuit conversion approach, which also implements the Turing-equivalent computation. The encoding of a Turing- machine-to-circuit conversion approach is dependent on both the input data and the worst-case runtime. The proposed scheme efficiently provides the confidentiality of both program and data of the delegator in the delegator-worker model of outsourced computation against semi-honest workers.展开更多
Lithium-ion batteries(LIBs)are a promising energy storage system for green energy applications.However,the use of liquid electrolytes in LIBs results in safety and lifespan issues.To address these challenges,researche...Lithium-ion batteries(LIBs)are a promising energy storage system for green energy applications.However,the use of liquid electrolytes in LIBs results in safety and lifespan issues.To address these challenges,researchers have been focusing on the development of all-solid-state batteries that use solid electrolytes.Unfortunately,traditional methods are time-consuming and expensive for exploring solid-state batteries,limiting their ability to keep up with growing social demand.In recent years,the development of big data has opened up new avenues for materials discovery,allowing for large-scale materials screening through computer simulations and machine learning models that can disclose the structure-activity relationship of materials.This review provides an overview of the basic procedures and common algorithms used in machine learning for designing solid-state batteries,with particular emphasis on recent research progress in applying machine learning to cathode materials and solid electrolytes,as well as predicting the condition of solid-state batteries.Additionally,this review offers a brief outlook on the challenges and opportunities facing machine learning methods in the realm of solid-state batteries.展开更多
High-throughput approaches in computational materials discovery often yield a combinatorial explosionthat makes the exhaustive rendering of complete structural and chemical spaces impractical. A commonbottleneck when ...High-throughput approaches in computational materials discovery often yield a combinatorial explosionthat makes the exhaustive rendering of complete structural and chemical spaces impractical. A commonbottleneck when screening new compounds with archetypal crystal structures is the lack of fast and reliabledecision-making schemes to quantitatively classify the computed candidates as inliers or outliers (too distortedstructures). Machine learning-aided workflows can solve this problem and make geometrical optimizationprocedures more efficient. However, for this to occur, there is still a lack of appropriate combinations ofsuitable geometrical descriptors and accurate unsupervised models which are capable of accurately differentiating between systems with subtle structural changes. Here, considering as a case study the compositionalscreening of cubic Li-argyrodites solid electrolytes, we tackle this problem head on. We find that Steinhardtorder parameters are very accurate descriptors of the cubic argyrodite structure to train a range of commonunsupervised outlier detection models. And, most importantly, the approach enables us to automatically classifycrystal structures with uncertainty control. The resulting models can then be used to screen computed structureswith respect to an user-defined error threshold and discard too distorted structures during geometricaloptimization procedures. Implemented as a decision node in computer-aided materials discovery workflows,this approach can be employed to perform autonomous high-throughput screening methods and make the useof computational and data storage resources more efficient.展开更多
与传统列控系统相比,全自动无人驾驶运营场景更加复杂多变,潜在的危险及致因具有更强的隐蔽性和复杂性,给运营安全带来了新的挑战。针对以上问题,提出一种STAMP(Systems-Theoretic Accident Model and Process)与模型检验相结合的复杂...与传统列控系统相比,全自动无人驾驶运营场景更加复杂多变,潜在的危险及致因具有更强的隐蔽性和复杂性,给运营安全带来了新的挑战。针对以上问题,提出一种STAMP(Systems-Theoretic Accident Model and Process)与模型检验相结合的复杂运营场景安全验证方法。首先,基于STAMP理论构建运营场景分层控制结构模型,辨识潜在的不安全控制行为、分析危险致因和安全约束;其次,定义分层控制结构模型与安全状态机模型间的基本转换规则,基于分层控制结构模型、安全约束和转换规则,构建运营场景安全状态机模型;最后,针对提取的安全约束,利用数据流图建立安全属性验证模型,结合模型检验技术,对运营场景安全状态机模型进行形式化验证。以全自动无人驾驶运营场景中列车自动进站停车为例,对方法进行验证分析。结果表明,当STAMP理论提取的安全约束通过了场景安全状态机模型的验证时,表示在该场景中对应的不安全控制行为没有发生且不导致相应危险。该方法结合系统安全分析与形式化建模验证的优势,降低了运营场景建模的难度,构建的运营场景形式化模型满足系统安全约束,可以作为全自动无人驾驶系统安全设计和安全改进的重要基础。展开更多
Accurate prediction of the rate of penetration(ROP)is significant for drilling optimization.While the intelligent ROP prediction model based on fully connected neural networks(FNN)outperforms traditional ROP equations...Accurate prediction of the rate of penetration(ROP)is significant for drilling optimization.While the intelligent ROP prediction model based on fully connected neural networks(FNN)outperforms traditional ROP equations and machine learning algorithms,its lack of interpretability undermines its credibility.This study proposes a novel interpretation and characterization method for the FNN ROP prediction model using the Rectified Linear Unit(ReLU)activation function.By leveraging the derivative of the ReLU function,the FNN function calculation process is transformed into vector operations.The FNN model is linearly characterized through further simplification,enabling its interpretation and analysis.The proposed method is applied in ROP prediction scenarios using drilling data from three vertical wells in the Tarim Oilfield.The results demonstrate that the FNN ROP prediction model with ReLU as the activation function performs exceptionally well.The relative activation frequency curve of hidden layer neurons aids in analyzing the overfitting of the FNN ROP model and determining drilling data similarity.In the well sections with similar drilling data,averaging the weight parameters enables linear characterization of the FNN ROP prediction model,leading to the establishment of a corresponding linear representation equation.Furthermore,the quantitative analysis of each feature's influence on ROP facilitates the proposal of drilling parameter optimization schemes for the current well section.The established linear characterization equation exhibits high precision,strong stability,and adaptability through the application and validation across multiple well sections.展开更多
基金support from the National Natural Science Foundation of China (No.51806072)。
文摘Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical application.Among all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve it.For fast screening,an enhanced model Dop Net FC using chemical formulas for the dataset is adopted to predict ionic conductivity.Finally,Li_(10)SrP_(2)S_(12)(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm^(-1)).In addition,an enhanced migration of lithium ion across the LSr PS/Li interface is found.Meanwhile,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103?),and enhanced ability to block additional electrons,all of which contribute to the stabilized interface.The applied theoretical atom substitution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes.
基金supported by the Ensemble Grant for Early Career Researchers 2022 and the 2023 Ensemble Continuation Grant of Tohoku University,the Hirose Foundation,the Iwatani Naoji Foundation,and the AIMR Fusion Research Grantsupported by JSPS KAKENHI Nos.JP23K13599,JP23K13703,JP22H01803,and JP18H05513+2 种基金the Center for Computational Materials Science,Institute for Materials Research,Tohoku University for the use of MASAMUNEIMR(Nos.202212-SCKXX0204 and 202208-SCKXX-0212)the Institute for Solid State Physics(ISSP)at the University of Tokyo for the use of their supercomputersthe China Scholarship Council(CSC)fund to pursue studies in Japan.
文摘All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.
文摘The new model Hitachi fully automatic washing machine is made by the Shanghai Hitachi Shangling Machinery Co. Ltd, using Japanese Hitachi technology and equipment. The product adopts a smooth, clean and abrasion-corrosion-proof tub made of stainless titanium alloy steel. The wash tub has a large capacity and does not damage the clothing. The rotation speed is 900 per minute. The drying ability is 10% higher than original
文摘To meet the demands for highly advanced components with ultra precise contour accuracy and optical surface quality arising in the fields of photonics and optics, automotive, medical applications and biotechnology, consumer electronics and renewable energy, more advanced production machines and processes have to be developed. As the complexity of machine tools rises steadily, the automation of manufacture increases rapidly, processes become more integrated and cycle times have to be reduced significantly, challenges of engineering efficient machine tools with respect to these demands expand every day. Especially the manufacture of freeform geometries with non-continuous and asymmetric surfaces requires advanced diamond machining strategies involving highly dynamic axes movements with a high bandwidth and position accuracy. Ultra precision lathes additionally equipped with Slow Tool and Fast Tool systems can be regarded as state-of-the-art machines achieving the objectives of high quality optical components. The mechanical design of such ultra precision machine tools as well as the mechanical integration of additional highly dynamic axes are very well understood today. In contrast to that, neither advanced control strategies for ultra precision machining nor the control integration of additional Fast Tool systems have been sufficiently developed yet. Considering a complex machine setup as a mechatronic system, it becomes obvious that enhancements to further increase the achievable form accuracy and surface quality and at the same time decrease cycle times and error sensitivity can only be accomplished by innovative, integrated control systems. At the Fraunhofer Institute for Production Technology IPT a novel, fully integrated control approach has been developed to overcome the drawbacks of state-of-the-art machine controls for ultra precision processes. Current control systems are often realized as decentralized solutions consisting of various computational hardware components for setpoint generation, machine control, HMI (human machine interface), Slow Tool control and Fast Tool control. While implementing such a distributed control strategy, many disadvantages arise in terms of complex communication interfaces, discontinuous safety structures, synchronization of cycle times and the machining accuracy as a whole. The novel control approach has been developed as a fully integrated machine control including standard CNC (computer numerical control) and PLC (programmable logic controller) functionality, advanced setpoint generation methods, an extended HMI as well as an FPGA (field programmable gate array)-based controller for a voice coil driven Slow Tool and a piezo driven Fast Tool axis. As the new control system has been implemented as a fully integrated platform using digital communication via EtherCAT, a continuous safety strategy could be realized, the error sensitivity and EMC susceptibility could be significantly decreased and the overall process accuracy from setpoint generation over path interpolation to axes movements could be enhanced. The novel control at the same time offers additional possibilities of automation, process integration, online data acquisition and evaluation as well as error compensation methods.
基金National Natureal Science Foundation of China(No.51305076)
文摘The knitting industry CAD/CAM system's development needs a solution of computer representation of the designed objects. One of them is a transformation of knitting rows and stitches form knitting pattern and its automatic analysis is to control data from the knitting design data. A method of the pattern CAD system including the analyzing and the compiling of the pattern data was developed in this paper. By rasterizing the pattern map, the drafted pattern could be compiled into knitting row data and stitches. The storage format of knitting rows data and stitches data could be defined by analyzing the motion of computerized fiat knitting machine. By reassembling the control data, it could be analyzed into the execute data of the controller in computerized fiat knitting machine. This method mainly focused on the weak areas of multi-needle-bed technology and fully-fashioned knitting technology in inland and could be applied to most of control systems in the master-slave mode. The knitting row data and pattern row data in a " *. ptn" format file were integrated. Giving a corresponding analytic calculation process of control data and realizing independent development of the upper machine and the lower machine, the final knitting control data not only have low computation and transmission cost but also have fast transfer speeds.
基金supported by the National Natural Science Foundation of China (Grant No.10101010)
文摘In this paper, a parallel machine scheduling problem was considered , where the processing time of a job is a simple linear function of its starting time. The objective is to minimize makespan. A fully polynomial time approximation scheme for the problem of scheduling n deteriorating jobs on two identical machines was worked out. Furthermore, the result was generalized to the case of a fixed number of machines.
文摘This paper reviews the performances of some newly developed reluctance machines with different winding configurations,excitation methods,stator and rotor structures,and slot/pole number combinations.Both the double layer conventional(DLC-),double layer mutually-coupled(DLMC),single layer conventional(SLC-),and single layer mutually-coupled(SLMC-),as well as fully-pitched(FP)winding configurations have been considered for both rectangular wave and sinewave excitations.Different conduction angles such as unipolar120°elec.,unipolar/bipolar180°elec.,bipolar240°elec.and bipolar360°elec.have been adopted and the most appropriate conduction angles have been obtained for the SRMs with different winding configurations.In addition,with appropriate conduction angles,the 12-slot/14-pole SRMs with modular stator structure is found to produce similar average torque,but lower torque ripple and iron loss when compared to non-modular 12-slot/8-pole SRMs.With sinewave excitation,the doubly salient synchronous reluctance machines with the DLMC winding can produce the highest average torque at high currents and achieve the highest peak efficiency as well.In order to compare with the conventional synchronous reluctance machines(SynRMs)having flux barriers inside the rotor,the appropriate rotor topologies to obtain the maximum average torque have been investigated for different winding configurations and slot/pole number combinations.Furthermore,some prototypes have been built with different winding configurations,stator structures,and slot/pole combinations to validate the predictions.
基金The National Basic Research Program of China(973Program)(No.2013CB338003)
文摘A scheme that can realize homomorphic Turing- equivalent privacy-preserving computations is proposed, where the encoding of the Turing machine is independent of its inputs and running time. Several extended private information retrieval protocols based on fully homomorphic encryption are designed, so that the reading and writing of the tape of the Turing machine, as well as the evaluation of the transition function of the Turing machine, can be performed by the permitted Boolean circuits of fully homomorphic encryption schemes. This scheme overwhelms the Turing-machine-to- circuit conversion approach, which also implements the Turing-equivalent computation. The encoding of a Turing- machine-to-circuit conversion approach is dependent on both the input data and the worst-case runtime. The proposed scheme efficiently provides the confidentiality of both program and data of the delegator in the delegator-worker model of outsourced computation against semi-honest workers.
基金the financial support from National Key Research and Development Program of China(No.2021YFF0500600)Henan Natural Science Foundation(No.212300410282).
文摘Lithium-ion batteries(LIBs)are a promising energy storage system for green energy applications.However,the use of liquid electrolytes in LIBs results in safety and lifespan issues.To address these challenges,researchers have been focusing on the development of all-solid-state batteries that use solid electrolytes.Unfortunately,traditional methods are time-consuming and expensive for exploring solid-state batteries,limiting their ability to keep up with growing social demand.In recent years,the development of big data has opened up new avenues for materials discovery,allowing for large-scale materials screening through computer simulations and machine learning models that can disclose the structure-activity relationship of materials.This review provides an overview of the basic procedures and common algorithms used in machine learning for designing solid-state batteries,with particular emphasis on recent research progress in applying machine learning to cathode materials and solid electrolytes,as well as predicting the condition of solid-state batteries.Additionally,this review offers a brief outlook on the challenges and opportunities facing machine learning methods in the realm of solid-state batteries.
基金supported by Umicore and is part of R&D&I project PID2019-106519RB-I00 funded by MCIN/AEI,Spain/10.13039/501100011033.
文摘High-throughput approaches in computational materials discovery often yield a combinatorial explosionthat makes the exhaustive rendering of complete structural and chemical spaces impractical. A commonbottleneck when screening new compounds with archetypal crystal structures is the lack of fast and reliabledecision-making schemes to quantitatively classify the computed candidates as inliers or outliers (too distortedstructures). Machine learning-aided workflows can solve this problem and make geometrical optimizationprocedures more efficient. However, for this to occur, there is still a lack of appropriate combinations ofsuitable geometrical descriptors and accurate unsupervised models which are capable of accurately differentiating between systems with subtle structural changes. Here, considering as a case study the compositionalscreening of cubic Li-argyrodites solid electrolytes, we tackle this problem head on. We find that Steinhardtorder parameters are very accurate descriptors of the cubic argyrodite structure to train a range of commonunsupervised outlier detection models. And, most importantly, the approach enables us to automatically classifycrystal structures with uncertainty control. The resulting models can then be used to screen computed structureswith respect to an user-defined error threshold and discard too distorted structures during geometricaloptimization procedures. Implemented as a decision node in computer-aided materials discovery workflows,this approach can be employed to perform autonomous high-throughput screening methods and make the useof computational and data storage resources more efficient.
文摘与传统列控系统相比,全自动无人驾驶运营场景更加复杂多变,潜在的危险及致因具有更强的隐蔽性和复杂性,给运营安全带来了新的挑战。针对以上问题,提出一种STAMP(Systems-Theoretic Accident Model and Process)与模型检验相结合的复杂运营场景安全验证方法。首先,基于STAMP理论构建运营场景分层控制结构模型,辨识潜在的不安全控制行为、分析危险致因和安全约束;其次,定义分层控制结构模型与安全状态机模型间的基本转换规则,基于分层控制结构模型、安全约束和转换规则,构建运营场景安全状态机模型;最后,针对提取的安全约束,利用数据流图建立安全属性验证模型,结合模型检验技术,对运营场景安全状态机模型进行形式化验证。以全自动无人驾驶运营场景中列车自动进站停车为例,对方法进行验证分析。结果表明,当STAMP理论提取的安全约束通过了场景安全状态机模型的验证时,表示在该场景中对应的不安全控制行为没有发生且不导致相应危险。该方法结合系统安全分析与形式化建模验证的优势,降低了运营场景建模的难度,构建的运营场景形式化模型满足系统安全约束,可以作为全自动无人驾驶系统安全设计和安全改进的重要基础。
基金The authors greatly thanked the financial support from the National Key Research and Development Program of China(funded by National Natural Science Foundation of China,No.2019YFA0708300)the Strategic Cooperation Technology Projects of CNPC and CUPB(funded by China National Petroleum Corporation,No.ZLZX2020-03)+1 种基金the National Science Fund for Distinguished Young Scholars(funded by National Natural Science Foundation of China,No.52125401)Science Foundation of China University of Petroleum,Beijing(funded by China University of petroleum,Beijing,No.2462022SZBH002).
文摘Accurate prediction of the rate of penetration(ROP)is significant for drilling optimization.While the intelligent ROP prediction model based on fully connected neural networks(FNN)outperforms traditional ROP equations and machine learning algorithms,its lack of interpretability undermines its credibility.This study proposes a novel interpretation and characterization method for the FNN ROP prediction model using the Rectified Linear Unit(ReLU)activation function.By leveraging the derivative of the ReLU function,the FNN function calculation process is transformed into vector operations.The FNN model is linearly characterized through further simplification,enabling its interpretation and analysis.The proposed method is applied in ROP prediction scenarios using drilling data from three vertical wells in the Tarim Oilfield.The results demonstrate that the FNN ROP prediction model with ReLU as the activation function performs exceptionally well.The relative activation frequency curve of hidden layer neurons aids in analyzing the overfitting of the FNN ROP model and determining drilling data similarity.In the well sections with similar drilling data,averaging the weight parameters enables linear characterization of the FNN ROP prediction model,leading to the establishment of a corresponding linear representation equation.Furthermore,the quantitative analysis of each feature's influence on ROP facilitates the proposal of drilling parameter optimization schemes for the current well section.The established linear characterization equation exhibits high precision,strong stability,and adaptability through the application and validation across multiple well sections.