With the aim of reducing the cost of developing internal combustion engines,while at the same time investigating different geometries,layouts and fuels,3D-CFD-CHT simulations represent an indispensable part for the de...With the aim of reducing the cost of developing internal combustion engines,while at the same time investigating different geometries,layouts and fuels,3D-CFD-CHT simulations represent an indispensable part for the development of new technologies.These tools are increasingly used by manufacturers,as a screening process before building the first prototype.This paper presents an innovative methodology for virtual engine development.The 3D-CFD tool QuickSim,developed at FKFS,allows both a significant reduction in computation time and an extension of the simulated domain for complete engine systems.This is possible thanks to a combination of coarse meshes and self-developed internal combustion engine models,which simultaneously ensure high predictability.The present work demonstrates the capabilities of this innovative methodology for the design and optimization of different engines and fuels with the goal of achieving the highest possible combustion efficiencies and pollutant reductions.The analysis focuses on the influence of different fuels such as hydrogen,methanol,synthetic gasolines and methane on different engine geometries,in combination with suitable injection and ignition systems,including passive and active pre-chambers.Lean operations as well as knock reduction are discussed,particularly for methane and hydrogen injection.Finally,it is shown how depending on the chosen fuel,an appropriate ad-hoc engine layout can be designed to increase the indicated efficiency of the respective engines.展开更多
A circular and sustainable economy for the private transport sector requires a holistic view of the emitted CO_(2) emissions.Looking at the energy supplied to the vehicle in terms of a circular economy leads to defoss...A circular and sustainable economy for the private transport sector requires a holistic view of the emitted CO_(2) emissions.Looking at the energy supplied to the vehicle in terms of a circular economy leads to defossilisation.The remaining energy sources or forms are renewable electric energy,green hydrogen and renewable fuels.A holistic view of the CO_(2) emissions of these energy sources and forms and the resulting powertrain technologies must take into account all cradle-to-grave emissions for both the vehicle and the energy supply.In order to compare the different forms of energy,the three most relevant forms of powertrain technology are considered and a configuration is chosen that allows for an appropriate comparison.For this purpose,data from the FVV project“Powertrain 2040”are used[1]and combined with research data on the energy supply chain for passenger cars.The three comparable powertrain configurations are a battery electric vehicle,a fuel cell electric vehicle and an internal combustion engine hybrid vehicle fueled with electric fuel.First,the three selected powertrain configurations are presented in terms of their performance,weight,technology and other characteristics.A comparative analysis is carried out for different CO_(2) emissions of the electricity mix.The electricity mix is used for both the production of the vehicle and the energy.The results are presented in the form of cradle-to-wheel emissions,which consider the total CO_(2) emissions of the vehicle over its life cycle.Finally,the results are analyzed and discussed to determine which powertrain technology fits best into which energy sector CO_(2) emissions window.展开更多
Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's func...Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's function method in combination with the density functionaltheory,the switching performance and spin filtering properties of dimethyldihydropyrene(DHP)/cyclophanediene(CPD)photoswitchable molecule connected by carbon atomic chains(CACs)to two zigzag graphene nanoribbon electrodes have been theoretically investigated.The results show that DHP is more conductive than CPD and therefore an evident switching effect is demonstrated,and the switching ratio(RON/OFF)can reach 4.5×103.It is further revealed that the RoON/OF of DHP/CPD closely depends on the length of CACs.More specifically,the RoN/OFF values of DHP/CPD with odd-numbered CACs are larger than those with even-numbered CACs.More interestingly,a high or even perfect spin filtering effect can be obtained in these investigated DHP/CPD single-molecule devices.Our study is helpful for future design of single-molecule switches and spin filters and provides a way to optimize their performance by means of varying the length of bridging CACs.展开更多
Mangenese oxides were synthesized using two new methods,a novel solvent‐free reaction and a reflux technique,that produced cryptomelane‐type products(K‐OMS‐2).Oxides were also synthesized using conventional method...Mangenese oxides were synthesized using two new methods,a novel solvent‐free reaction and a reflux technique,that produced cryptomelane‐type products(K‐OMS‐2).Oxides were also synthesized using conventional methods and all specimens were applied to the oxidation of ethyl acetate and butyl acetate,acting as models for the volatile organic compounds found in industrial emissions.The catalysts were also characterized using N2adsorption,X‐ray diffraction,scanning electron microscopy,temperature programmed reduction and X‐ray photoelectron spectroscopy.Each of the manganese oxides was found to be very active during the oxidation of both esters to CO2,and the synthesis methodology evidently had a significant impact on catalytic performance.The K‐OMS‐2nanorods synthesized by the solvent‐free method showed higher activity than K‐OMS‐2materials prepared by the reflux technique,and samples with cryptomelane were more active than those prepared by the conventional methods.The catalyst with the highest performance also exhibited good stability and allowed90%conversion of ethyl and butyl acetate to CO2at213and202°C,respectively.Significant differences in the catalyst performance were observed,clearly indicating that K‐OMS‐2nanorods prepared by the solvent‐free reaction were better catalysts for the selected VOC oxidations than the mixtures of manganese oxides traditionally obtained with conventional synthesis methods.The superior performance of the K‐OMS‐2catalysts might be related to the increased average oxidation state of the manganese in these structures.Significant correlations between the catalytic performance and the surface chemical properties were also identified,hig-hlighting the K‐OMS‐2properties associated with the enhanced catalytic performance of the materials.?2018,Dalian Institute of Chemical Physics,Chinese Academy of Sciences.Published by Elsevier B.V.All rights reserved.展开更多
The generation of multifunctional isolated active sites in zeolite supports is an attractive method for integrating multistep sequential reactions into a single‐pass tandem catalytic reaction.In this study,bifunction...The generation of multifunctional isolated active sites in zeolite supports is an attractive method for integrating multistep sequential reactions into a single‐pass tandem catalytic reaction.In this study,bifunctional TiSn‐Beta zeolite was prepared by a simple and scalable post‐synthesis approach,and it was utilized as an efficient heterogeneous catalyst for the tandem conversion of alkenes to 1,2‐diols.The isolated Ti and Sn Lewis acid sites within the TiSn‐Beta zeolite can efficiently integrate alkene epoxidation and epoxide hydration in tandem in a zeolite microreactor to achieve one‐step conversion of alkenes to 1,2‐diols with a high selectivity of>90%.Zeolite confinement effects result in high tandem rates of alkene epoxidation and epoxide hydration as well as high selectivity toward the desired product.Further,the novel method demonstrated herein can be employed to other tandem catalytic reactions for sustainable chemical production.展开更多
Four-dimensional trajectory based operation(4D-TBO)is believed to enhance the planning and execution of efficient flights,reduce potential conflicts and resolve upcoming tremendous flight demand.Most of the 4D traject...Four-dimensional trajectory based operation(4D-TBO)is believed to enhance the planning and execution of efficient flights,reduce potential conflicts and resolve upcoming tremendous flight demand.Most of the 4D trajectory planning related studies have focused on manned aircraft instead of unmanned aerial vehicles(UAVs).This paper focuses on planning conflict-free 4D trajectories for fixed-wing UAVs before the departure or during the flight planning.A 4D trajectory generation technique based on Tau theory is developed,which can incorporate the time constraints over the waypoint sequence in the flight plan.Then the 4D trajectory is optimized by the particle swarm optimization(PSO)algorithm.Further simulations are performed to demonstrate the effectiveness of the proposed method,which would offer a good chance for integrating UAV into civil airspace in the future.展开更多
今年的日本优良设计大赛（GOODD ESIGN AWARD 2011）启动时间，恰在日本遭受大地震之后不久。灾难阻挡不了人类积极向上的脚步，却能指引人们前进的方向。日本工业设计促进组织的主席饭冢和典在大赛启动之时发表申明，在为受难人民祈祷...今年的日本优良设计大赛（GOODD ESIGN AWARD 2011）启动时间，恰在日本遭受大地震之后不久。灾难阻挡不了人类积极向上的脚步，却能指引人们前进的方向。日本工业设计促进组织的主席饭冢和典在大赛启动之时发表申明，在为受难人民祈祷之时，亦提出现今许多人的生活和工作方式都已经改变，日本的工业、经济和政治正在经历一个戏剧性的变化，展开更多
Objective To compare the performance of five machine learning models and SAPSⅡ score in predicting the 30-day mortality amongst patients with sepsis.Methods The sepsis patient-related data were extracted from the MIM...Objective To compare the performance of five machine learning models and SAPSⅡ score in predicting the 30-day mortality amongst patients with sepsis.Methods The sepsis patient-related data were extracted from the MIMIC-Ⅳ database.Clinical features were generated and selected by mutual information and grid search.Logistic regression,Random forest,LightGBM,XGBoost,and other machine learning models were constructed to predict the mortality probability.Five measurements including accuracy,precision,recall,F1 score,and area under curve(AUC) were acquired for model evaluation.An external validation was implemented to avoid conclusion bias.Results LightGBM outperformed other methods,achieving the highest AUC(0.900),accuracy(0.808),and precision(0.559).All machine learning models performed better than SAPSⅡ score(AUC=0.748).LightGBM achieved 0.883 in AUC in the external data validation.Conclusions The machine learning models are more effective in predicting the 30-day mortality of patients with sepsis than the traditional SAPS Ⅱ score.展开更多
文摘With the aim of reducing the cost of developing internal combustion engines,while at the same time investigating different geometries,layouts and fuels,3D-CFD-CHT simulations represent an indispensable part for the development of new technologies.These tools are increasingly used by manufacturers,as a screening process before building the first prototype.This paper presents an innovative methodology for virtual engine development.The 3D-CFD tool QuickSim,developed at FKFS,allows both a significant reduction in computation time and an extension of the simulated domain for complete engine systems.This is possible thanks to a combination of coarse meshes and self-developed internal combustion engine models,which simultaneously ensure high predictability.The present work demonstrates the capabilities of this innovative methodology for the design and optimization of different engines and fuels with the goal of achieving the highest possible combustion efficiencies and pollutant reductions.The analysis focuses on the influence of different fuels such as hydrogen,methanol,synthetic gasolines and methane on different engine geometries,in combination with suitable injection and ignition systems,including passive and active pre-chambers.Lean operations as well as knock reduction are discussed,particularly for methane and hydrogen injection.Finally,it is shown how depending on the chosen fuel,an appropriate ad-hoc engine layout can be designed to increase the indicated efficiency of the respective engines.
文摘A circular and sustainable economy for the private transport sector requires a holistic view of the emitted CO_(2) emissions.Looking at the energy supplied to the vehicle in terms of a circular economy leads to defossilisation.The remaining energy sources or forms are renewable electric energy,green hydrogen and renewable fuels.A holistic view of the CO_(2) emissions of these energy sources and forms and the resulting powertrain technologies must take into account all cradle-to-grave emissions for both the vehicle and the energy supply.In order to compare the different forms of energy,the three most relevant forms of powertrain technology are considered and a configuration is chosen that allows for an appropriate comparison.For this purpose,data from the FVV project“Powertrain 2040”are used[1]and combined with research data on the energy supply chain for passenger cars.The three comparable powertrain configurations are a battery electric vehicle,a fuel cell electric vehicle and an internal combustion engine hybrid vehicle fueled with electric fuel.First,the three selected powertrain configurations are presented in terms of their performance,weight,technology and other characteristics.A comparative analysis is carried out for different CO_(2) emissions of the electricity mix.The electricity mix is used for both the production of the vehicle and the energy.The results are presented in the form of cradle-to-wheel emissions,which consider the total CO_(2) emissions of the vehicle over its life cycle.Finally,the results are analyzed and discussed to determine which powertrain technology fits best into which energy sector CO_(2) emissions window.
基金This work is supported by the National Natural Sci-ence Foundation China(No.22173052 of and No.11974217).
文摘Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's function method in combination with the density functionaltheory,the switching performance and spin filtering properties of dimethyldihydropyrene(DHP)/cyclophanediene(CPD)photoswitchable molecule connected by carbon atomic chains(CACs)to two zigzag graphene nanoribbon electrodes have been theoretically investigated.The results show that DHP is more conductive than CPD and therefore an evident switching effect is demonstrated,and the switching ratio(RON/OFF)can reach 4.5×103.It is further revealed that the RoON/OF of DHP/CPD closely depends on the length of CACs.More specifically,the RoN/OFF values of DHP/CPD with odd-numbered CACs are larger than those with even-numbered CACs.More interestingly,a high or even perfect spin filtering effect can be obtained in these investigated DHP/CPD single-molecule devices.Our study is helpful for future design of single-molecule switches and spin filters and provides a way to optimize their performance by means of varying the length of bridging CACs.
基金This work was supported by project “AIProcMat@N2020‐Advanced Industrial Processes and Materials for a Sustainable Northern Region of Portugal 2020”, with the reference NORTE‐01‐0145‐FEDER‐000006, supported by Norte Portugal Regional Operational Programme
文摘Mangenese oxides were synthesized using two new methods,a novel solvent‐free reaction and a reflux technique,that produced cryptomelane‐type products(K‐OMS‐2).Oxides were also synthesized using conventional methods and all specimens were applied to the oxidation of ethyl acetate and butyl acetate,acting as models for the volatile organic compounds found in industrial emissions.The catalysts were also characterized using N2adsorption,X‐ray diffraction,scanning electron microscopy,temperature programmed reduction and X‐ray photoelectron spectroscopy.Each of the manganese oxides was found to be very active during the oxidation of both esters to CO2,and the synthesis methodology evidently had a significant impact on catalytic performance.The K‐OMS‐2nanorods synthesized by the solvent‐free method showed higher activity than K‐OMS‐2materials prepared by the reflux technique,and samples with cryptomelane were more active than those prepared by the conventional methods.The catalyst with the highest performance also exhibited good stability and allowed90%conversion of ethyl and butyl acetate to CO2at213and202°C,respectively.Significant differences in the catalyst performance were observed,clearly indicating that K‐OMS‐2nanorods prepared by the solvent‐free reaction were better catalysts for the selected VOC oxidations than the mixtures of manganese oxides traditionally obtained with conventional synthesis methods.The superior performance of the K‐OMS‐2catalysts might be related to the increased average oxidation state of the manganese in these structures.Significant correlations between the catalytic performance and the surface chemical properties were also identified,hig-hlighting the K‐OMS‐2properties associated with the enhanced catalytic performance of the materials.?2018,Dalian Institute of Chemical Physics,Chinese Academy of Sciences.Published by Elsevier B.V.All rights reserved.
文摘The generation of multifunctional isolated active sites in zeolite supports is an attractive method for integrating multistep sequential reactions into a single‐pass tandem catalytic reaction.In this study,bifunctional TiSn‐Beta zeolite was prepared by a simple and scalable post‐synthesis approach,and it was utilized as an efficient heterogeneous catalyst for the tandem conversion of alkenes to 1,2‐diols.The isolated Ti and Sn Lewis acid sites within the TiSn‐Beta zeolite can efficiently integrate alkene epoxidation and epoxide hydration in tandem in a zeolite microreactor to achieve one‐step conversion of alkenes to 1,2‐diols with a high selectivity of>90%.Zeolite confinement effects result in high tandem rates of alkene epoxidation and epoxide hydration as well as high selectivity toward the desired product.Further,the novel method demonstrated herein can be employed to other tandem catalytic reactions for sustainable chemical production.
文摘Four-dimensional trajectory based operation(4D-TBO)is believed to enhance the planning and execution of efficient flights,reduce potential conflicts and resolve upcoming tremendous flight demand.Most of the 4D trajectory planning related studies have focused on manned aircraft instead of unmanned aerial vehicles(UAVs).This paper focuses on planning conflict-free 4D trajectories for fixed-wing UAVs before the departure or during the flight planning.A 4D trajectory generation technique based on Tau theory is developed,which can incorporate the time constraints over the waypoint sequence in the flight plan.Then the 4D trajectory is optimized by the particle swarm optimization(PSO)algorithm.Further simulations are performed to demonstrate the effectiveness of the proposed method,which would offer a good chance for integrating UAV into civil airspace in the future.
文摘今年的日本优良设计大赛（GOODD ESIGN AWARD 2011）启动时间，恰在日本遭受大地震之后不久。灾难阻挡不了人类积极向上的脚步，却能指引人们前进的方向。日本工业设计促进组织的主席饭冢和典在大赛启动之时发表申明，在为受难人民祈祷之时，亦提出现今许多人的生活和工作方式都已经改变，日本的工业、经济和政治正在经历一个戏剧性的变化，
文摘Objective To compare the performance of five machine learning models and SAPSⅡ score in predicting the 30-day mortality amongst patients with sepsis.Methods The sepsis patient-related data were extracted from the MIMIC-Ⅳ database.Clinical features were generated and selected by mutual information and grid search.Logistic regression,Random forest,LightGBM,XGBoost,and other machine learning models were constructed to predict the mortality probability.Five measurements including accuracy,precision,recall,F1 score,and area under curve(AUC) were acquired for model evaluation.An external validation was implemented to avoid conclusion bias.Results LightGBM outperformed other methods,achieving the highest AUC(0.900),accuracy(0.808),and precision(0.559).All machine learning models performed better than SAPSⅡ score(AUC=0.748).LightGBM achieved 0.883 in AUC in the external data validation.Conclusions The machine learning models are more effective in predicting the 30-day mortality of patients with sepsis than the traditional SAPS Ⅱ score.
