This paper presents a de-novo computational design method driven by deep reinforcement learning to achieve reliable predictions and optimum properties for periodic microstructures.With recent developments in 3-D print...This paper presents a de-novo computational design method driven by deep reinforcement learning to achieve reliable predictions and optimum properties for periodic microstructures.With recent developments in 3-D printing,microstructures can have complex geometries and material phases fabricated to achieve targeted mechanical performance.These material property enhancements are promising in improving the mechanical,thermal,and dynamic performance in multiple engineering systems,ranging from energy harvesting applications to spacecraft components.The study investigates a novel and efficient computational framework that integrates deep reinforcement learning algorithms into finite element-based material simulations to quantitatively model and design 3-D printed periodic microstructures.These algorithms focus on improving the mechanical and thermal performance of engineering components by optimizing a microstructural architecture to meet different design requirements.Additionally,the machine learning solutions demonstrated equivalent results to the physics-based simulations while significantly improving the computational time efficiency.The outcomes of the project show promise to the automation of the design and manufacturing of microstructures to enable their fabrication in large quantities with the utilization of the 3-D printing technology.展开更多
This paper presents the design of a computational software system that enables solutions of multi-phase and multi-scale problems in mechanics. It demonstrated how mechanicians can design “process-driven” software sy...This paper presents the design of a computational software system that enables solutions of multi-phase and multi-scale problems in mechanics. It demonstrated how mechanicians can design “process-driven” software systems directly, and that such efforts are more suitable in solving multi-phase or multi-scale problems, rather than utilizing the “data-driven” approaches of legacy network systems. Specifically, this paper demonstrates how this approach can be used to solve problems in flexible dynamics. Then it suggests a view of mechanics algorithms as ‘state equilibrium’ enforcers residing as servers, rather than as computer programs that solve field equations. It puts forth the need for identical input/output files to ensure widespread deployment on laptops. Then it presents an assessment of the laptop platform. A software system such as the one presented here can also be used to supply virtual environments, animations and entertainment/education software with physics.展开更多
Water electrolyzers play a crucial role in green hydrogen production.However,their efficiency and scalability are often compromised by bubble dynamics across various scales,from nanoscale to macroscale components.This...Water electrolyzers play a crucial role in green hydrogen production.However,their efficiency and scalability are often compromised by bubble dynamics across various scales,from nanoscale to macroscale components.This review explores multi-scale modeling as a tool to visualize multi-phase flow and improve mass transport in water electrolyzers.At the nanoscale,molecular dynamics(MD)simulations reveal how electrode surface features and wettability influence nanobubble nucleation and stability.Moving to the mesoscale,models such as volume of fluid(VOF)and lattice Boltzmann method(LBM)shed light on bubble transport in porous transport layers(PTLs).These insights inform innovative designs,including gradient porosity and hydrophilic-hydrophobic patterning,aimed at minimizing gas saturation.At the macroscale,VOF simulations elucidate two-phase flow regimes within channels,showing how flow field geometry and wettability affect bubble discharging.Moreover,artificial intelligence(AI)-driven surrogate models expedite the optimization process,allowing for rapid exploration of structural parameters in channel-rib flow fields and porous flow field designs.By integrating these approaches,we can bridge theoretical insights with experimental validation,ultimately enhancing water electrolyzer performance,reducing costs,and advancing affordable,high-efficiency hydrogen production.展开更多
A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz ...A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.展开更多
The nitrate reduction via electrochemical catalysis offers an environmentally friendly method for sustainable ammonia production and wastewater remediation.However,conventional Co-based catalysts suffer from a major l...The nitrate reduction via electrochemical catalysis offers an environmentally friendly method for sustainable ammonia production and wastewater remediation.However,conventional Co-based catalysts suffer from a major limitation:their nitrate(NO_(3)^(-))adsorption capacity remains weak.This drawback severely restricts their catalytic efficiency.To overcome this limitation,we synthesized a triphasic interface material(Cu/Co/CoO@C)via rapid joule heating and elucidated its performance-enhancing mechanisms.The exceptional catalytic performance originates from the phase interface-induced multiscale structural regulation.At the microscopic scale,electronic structure modulation through interfacial charge redistribution between Cu and Co/CoO significantly reduces intermediate adsorption energies.Co 3d and O 2p orbitals coupling generates a localized polarized electric field,enhancing NO_(3)^(-)activation.At the macroscopic scale,defect-rich structures improve mass transfer and expose abundant active sites.With the Cu/Co/CoO@C,the yield of NH_(3) is achieved to 2.03 mmol h^(-1)cm^(-2)(-0.4 V vs.RHE,Faradaic efficiency(FE)98.4%).The assembled Zn-NO_(3)^(-)battery delivered a maximum power density of 52.09 mW cm^(-2)and a NH_(3) production rate of 297.5μmol h^(-1)cm^(-2)(FE 95.4%).Based on these results,this work offers new insights into multiphase interface design.展开更多
Due to abrupt changes in the intrinsic degradation mechanism or shock from external environmental pressure,degradations of some equipment are characterized by multi-phase and jumps.Meanwhile,equipment is subject to in...Due to abrupt changes in the intrinsic degradation mechanism or shock from external environmental pressure,degradations of some equipment are characterized by multi-phase and jumps.Meanwhile,equipment is subject to inherent fluctuations,limited data and imperfect measurements resulting in aleatory,epistemic and measurement uncertainties of the degradation process.This paper proposes a degradation model and remaining useful life(RUL)prediction method under triple uncertainties for a category of complex equipment with multi-phase degradation and jumps.First,a multi-phase degradation model with random jumps and measurement errors is constructed based on uncertain random processes.Afterward,the analytic expression of RUL prediction considering the heterogeneity is derived by modeling the uncertainty of degradation states at change points under the concept of first hitting time.A stochastic uncertain approach is utilized for the proposed multi-phase degradation model to identify model parameters based on historical data.Furthermore,the implied degradation features are adaptively updated in online stage using similarity-based weighted stochastic uncertain maximum likelihood estimation and Kalman filtering.Finally,the effectiveness of the method is verified by simulation example and practical case.展开更多
Optimization of microstructure for new generation advanced high strength steels(AHSS)for automobiles was briefly reviewed.Two different heat treatments(quenching partitioning austempering/QPA and quenching partitionin...Optimization of microstructure for new generation advanced high strength steels(AHSS)for automobiles was briefly reviewed.Two different heat treatments(quenching partitioning austempering/QPA and quenching partitioning tempering/QPT)have been investigated to obtain optimal microstructures,which are made up of martensite(hard phase),retained austenite(soft phase),and carbide or nano-bainite.Combination of hot stamping and newly developed heat treatments is discussed.展开更多
Purpose-Interface management is the process of managing communications,responsibilities and coordination of project parties,phases or physical entities which are dependent on one another.Interface management is a cruc...Purpose-Interface management is the process of managing communications,responsibilities and coordination of project parties,phases or physical entities which are dependent on one another.Interface management is a crucial part of managing any construction project-but particularly important for high-speed railway projects that often have several contractual parties and stakeholders,very long project timelines and huge upfront cost overlays.This paper discusses how various project interfaces were managed during the design and construction of the civil engineering infrastructure for the High Speed Two(HS2)project in the United Kingdom.Design/methodology/approach-The paper uses the case study methodology.Key interfaces on the HS2 project are grouped into various categories and the paper discusses how they were managed within the Area North Integrated Project Team(IPT)of the HS2 project made up of contractor Balfour Beatty VINCI(BBV),the Mott MacDonald SYSTRA Design Joint Venture(DJV)and client HS2 Ltd.3 different case studies drawn from across the IPT are used,each of them highlighting different interfaces and how these interfaces were managed.Findings-The paper shows how innovative technical designs and modern methods of construction were used to address some of the unique and peculiar challenges of designing a brand-new railway in the United Kingdom.Addressing the contrasting and often competing requirements of different stakeholders,coupled with challenging physical constraints of the very limited land available for the project and the use of a rarely used Act of Parliament in the delivery of the project required different approach to interface management.Collaboration and proactive stakeholder engagement are necessary for successful interface management on megaprojects.The authors posit that adopting an integrated approach to engineering and construction management is an essential ingredient for the successful delivery of high-speed railway projects.Originality/value-With many high-speed railway projects around the world coming up in the next few years,understanding the context and challenges for each country will help engineering and design managers adopt appropriate approaches for their projects.The lessons learned on the HS2 project are also transferable to other mega infrastructure projects with complex project interfaces.展开更多
Against the backdrop of escalating global climate change and energy crises,the resource utilization of carbon dioxide(CO_(2)),a major greenhouse gas,has become a crucial pathway for achieving carbon peaking and carbon...Against the backdrop of escalating global climate change and energy crises,the resource utilization of carbon dioxide(CO_(2)),a major greenhouse gas,has become a crucial pathway for achieving carbon peaking and carbon neutrality goals.The hydrogenation of CO_(2)to methanol not only enables carbon sequestration and recycling,but also provides a route to produce high value-added fuels and basic chemical feedstocks,holding significant environmental and economic potential.However,this conversion process is thermodynamically and kinetically limited,and traditional catalyst systems(e.g.,Cu/ZnO/Al_(2)O_(3))exhibit inadequate activity,selectivity,and stability under mild conditions.Therefore,the development of novel high-performance catalysts with precisely tunable structures and functionalities is imperative.Metal-organic frameworks(MOFs),as crystalline porous materials with high surface area,tunable pore structures,and diverse metal-ligand compositions,have the great potential in CO_(2)hydrogenation catalysis.Their structural design flexibility allows for the construction of well-dispersed active sites,tailored electronic environments,and enhanced metal-support interactions.This review systematically summarizes the recent advances in MOF-based and MOF-derived catalysts for CO_(2)hydrogenation to methanol,focusing on four design strategies:(1)spatial confinement and in situ construction,(2)defect engineering and ion-exchange,(3)bimetallic synergy and hybrid structure design,and(4)MOF-derived nanomaterial synthesis.These approaches significantly improve CO_(2)conversion and methanol selectivity by optimizing metal dispersion,interfacial structures,and reaction pathways.The reaction mechanism is further explored by focusing on the three main reaction pathways:the formate pathway(HCOO*),the RWGS(Reverse Water Gas Shift reaction)+CO*hydrogenation pathway,and the trans-COOH pathway.In situ spectroscopic studies and density functional theory(DFT)calculations elucidate the formation and transformation of key intermediates,as well as the roles of active sites,metal-support interfaces,oxygen vacancies,and promoters.Additionally,representative catalytic performance data for MOFbased systems are compiled and compared,demonstrating their advantages over traditional catalysts in terms of CO_(2)conversion,methanol selectivity,and space-time yield.Future perspectives for MOF-based CO_(2)hydrogenation catalysts will prioritize two main directions:structural design and mechanistic understanding.The precise construction of active sites through multi-metallic synergy,defect engineering,and interfacial electronic modulation should be made to enhance catalyst selectivity and stability.In addition,advanced in situ characterization techniques combined with theoretical modeling are essential to unravel the detailed reaction mechanisms and intermediate behaviors,thereby guiding rational catalyst design.Moreover,to enable industrial application,challenges related to thermal/hydrothermal stability,catalyst recyclability,and cost-effective large-scale synthesis must be addressed.The development of green,scalable preparation methods and the integration of MOF catalysts into practical reaction systems(e.g.,flow reactors)will be crucial for bridging the gap between laboratory research and commercial deployment.Ultimately,multi-scale structure-performance optimization and catalytic system integration will be vital for accelerating the industrialization of MOF-based CO_(2)-to-methanol technologies.展开更多
As unmanned underwater vehicles (UUVs) are increasingly designed to perform long-duration missions in highly complex and often extreme environments, traditional design methods face significant and growing challenges^(...As unmanned underwater vehicles (UUVs) are increasingly designed to perform long-duration missions in highly complex and often extreme environments, traditional design methods face significant and growing challenges^([1,2]).展开更多
Compact size,high brightness,and wide field of view(FOV)are key requirements for long-wave infrared imagers used in military surveillance or night navigation.However,to meet the imaging requirements of high resolution...Compact size,high brightness,and wide field of view(FOV)are key requirements for long-wave infrared imagers used in military surveillance or night navigation.However,to meet the imaging requirements of high resolution and wide FOV,infrared optical systems often adopt complex optical lens groups,which will increase the size and weight of the optical system.In this paper,a strategy based on wavefront coding(WFC)is proposed to design a compact wide-FOV infrared imager.A cubic phase mask is inserted into the pupil plane of the infrared imager to correct the aberration.The simulated results show that,the WFC infrared imager has good imaging quality in a wide FOV of±16°.In addition,the WFC infrared imager achieves compactness with its 40 mm×40 mm×40 mm size.A fast focal ratio of 1 combined with an entrance pupil diameter of 25 mm ensures brightness.This work is of significance for designing a compact wide-FOV infrared imager.展开更多
In recent years,the use of deep learning to replace traditional numerical methods for electromagnetic propagation has shown tremendous potential in the rapid design of photonic devices.However,most research on deep le...In recent years,the use of deep learning to replace traditional numerical methods for electromagnetic propagation has shown tremendous potential in the rapid design of photonic devices.However,most research on deep learning has focused on single-layer grating couplers,and the accuracy of multi-layer grating couplers has not yet reached a high level.This paper proposes and demonstrates a novel deep learning network-assisted strategy for inverse design.The network model is based on a multi-layer perceptron(MLP)and incorporates convolutional neural networks(CNNs)and transformers.Through the stacking of multiple layers,it achieves a high-precision design for both multi-layer and single-layer raster couplers with various functionalities.The deep learning network exhibits exceptionally high predictive accuracy,with an average absolute error across the full wavelength range of 1300–1700 nm being only 0.17%,and an even lower predictive absolute error below 0.09%at the specific wavelength of 1550 nm.By combining the deep learning network with the genetic algorithm,we can efficiently design grating couplers that perform different functions.Simulation results indicate that the designed single-wavelength grating couplers achieve coupling efficiencies exceeding 80%at central wavelengths of 1550 nm and 1310 nm.The performance of designed dual-wavelength and broadband grating couplers also reaches high industry standards.Furthermore,the network structure and inverse design method are highly scalable and can be applied not only to multi-layer grating couplers but also directly to the prediction and design of single-layer grating couplers,providing a new perspective for the innovative development of photonic devices.展开更多
In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey...In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.展开更多
In recent years,there have been fewer missions to detect neutrons in low Earth orbits(LEO),and the data obtained have been extremely limited.Studying the distribution of the neutron energy spectrum in LEO satellites t...In recent years,there have been fewer missions to detect neutrons in low Earth orbits(LEO),and the data obtained have been extremely limited.Studying the distribution of the neutron energy spectrum in LEO satellites through detection can help solve three major scientific problems:the source of particles in the inner radiation belt,information on solar-accelerated particles,and the proportion of neutrons from different sources in near-Earth space.The detection efficiency and accuracy of neutrons are affected by charged and primary particles in the environment and secondary neutrons produced by the spacecraft itself,which has been a hot research topic.The neutron spectrometer developed in this study adopts two combinations of 15 silicon detectors in terms of detector type and arrangement,which are used for neutron detection via the nuclear reaction method and recoil proton method,respectively,in which a 27μm-thick^(6)LiF conversion layer is used for thermal neutron detection up to 0.4 eV and a 300μm-thick high-density polyethylene conversion layer is used for fast-neutron detection up to 14 MeV and below.The design of the detector set can also remove the influence of primary charged particles and secondary neutrons in the detection environment to a certain extent,thereby improving the accuracy of neutron detection.In this study,the neutron spectrometer hardware,firmware,software design,and basic performance of the front-end readout chip SKIROC2A were tested.The readout circuit of each channel baseline ADC code was less than 17;thus,the channel consistency was good.The RMS noise of the channel baseline was only 7.1 mV and exhibited good stability.The maximum number of events that could be processed per second is 75.The overall power consumption was 3 W,the weight was 792 g,and the volume was less than 1 dm^(3).Furthermore,the neutron spectrometer was tested for principle and detection efficiency using various neutron sources,such as ^(241)Am-Be neutron source,2.5 MeV neutron beam,and 14 MeV neutron beam,and the experiments were analyzed with corresponding simulations.The experimental data and simulation results were in good agreement and met the design requirements.The intrinsic detection efficiency of the probes used in the neutron spectrometer was 1.05%for 14 MeV fast neutrons.展开更多
Lithium-sulfur batteries(LSBs)represent a next-generation energy storage technology,but widespread applications are restricted by the shuttle of lithium polysulfides(LiPSs).The rational design of separators has been d...Lithium-sulfur batteries(LSBs)represent a next-generation energy storage technology,but widespread applications are restricted by the shuttle of lithium polysulfides(LiPSs).The rational design of separators has been demonstrated to be one of the most efficient and cost-effective strategies to curb the shuttle effect,and tremendous research progress has been achieved.The efficiency of a separator depends on its interaction with LiPSs,which is governed by the surface energy and binding strength.Despite several review works that have been reported to advance the separators,most of them primarily focus on active material innovation and construction.The most crucial issues of surface binding energy have not been systematically reviewed,limiting the precise design of efficient separators.In this review,fundamentals related to surface energy and binding interactions with LiPSs are comprehensively analyzed and discussed.With surface binding and energy main lines,the advancements in separator engineering strategies are elaborately summarized and discussed.Moreover,techniques for evaluating affinity to LiPSs are thoroughly analyzed to avoid any ambiguities in measurement.Based on the research context,valuable research directions are suggested to construct efficient separators.This work provides guidelines to regulate the surface binding and energy of separators for high-performance LSBs.展开更多
Machine learning(ML)is recognized as a potent tool for the inverse design of environmental functional material,particularly for complex entities like biochar-based catalysts(BCs).Thus,the tailored BCs can have a disti...Machine learning(ML)is recognized as a potent tool for the inverse design of environmental functional material,particularly for complex entities like biochar-based catalysts(BCs).Thus,the tailored BCs can have a distinct ability to trigger the nonradical pathway in advance oxidation processes(AOPs),promising a stable,rapid and selective degradation of persistent contaminants.However,due to the inherent“black box”nature and limitations of input features,results and conclusions derived from ML may not always be intuitively understood or comprehensively validated.To tackle this challenge,we linked the front-point interpretable analysis approaches with back-point density functional theory(DFT)calculations to form a chained learning strategy for deeper sight into the intrinsic activation mechanism of BCs in AOPs.At the front point,we conducted an easy-to-interpret meta-analysis to validate two strategies for enhancing nonradical pathways by increasing oxygen content and specific surface area(SSA),and prepared oxidized biochar(OBC500)and SSA-increased biochar(SBC900)by controlling pyrolysis conditions and modification methods.Subsequently,experimental results showed that OBC500 and SBC900 had distinct dominant degradation pathways for 1O2 generation and electron transfer,respectively.Finally,at the end point,DFT calculations revealed their active sites and degradation mechanisms.This chained learning strategy elucidates fundamental principles for BC inverse design and showcases the exceptional capacity to integrate computational techniques to accelerate catalyst inverse design.展开更多
From an engineering feasibility standpoint, what level of performance metrics can be ultimately achieved when designing a reactor using well-established nuclear fuels and structural materials that have already undergo...From an engineering feasibility standpoint, what level of performance metrics can be ultimately achieved when designing a reactor using well-established nuclear fuels and structural materials that have already undergone irradiation testing? The irradiation capability, which hinges on parameters like neutron flux level, irradiation channels' volume, and fuel cycle duration, is a core indicator for high-flux reactors. We propose a conceptual design of an ultra-high flux fast reactor(UFFR) with strong irradiation capability, which utilizes U-20Pu-10Zr alloy fuel and employs lead-bismuth as the coolant. The maximum neutron flux in the core reaches 1.32×10^(16) cm^(-2)s^(-1), while the average neutron flux in the irradiation channels attains 1.19×10^(16) cm^(-2)s^(-1). The volume of the central irradiation channel exceeds 10000 cm^(3), and the fuel cycle duration is 165 d, placing all its performance indicators among the top in the world. Based on the analyses of reactor physics and thermalhydraulics, it has been demonstrated that all reactivity coefficients are negative and all physical parameters meet the design criteria, ensuring the inherent safety of UFFR. An assessment of the irradiation capability has been carried out based on californium-252(^(252)Cf) production, indicating that the irradiation capability of UFFR surpasses that of the high flux isotope reactor(HFIR). The yield of ^(252)Cf from UFFR is 14.39 times that of HFIR, and its nuclei conversion rate is 3.21 times that of HFIR.展开更多
Cases of widespread bone hydatid infection are relatively rare in clinical practice.In this study,we reported for the first time a validated integrated repair therapy for multiple bone tissues,including the hip,femur,...Cases of widespread bone hydatid infection are relatively rare in clinical practice.In this study,we reported for the first time a validated integrated repair therapy for multiple bone tissues,including the hip,femur,and knee,caused by echinococ cosis.Artificial intelligence(AI)was used to develop a targeted surgical plan and to design a personalized prosthesis.Finite element analysis(FEA)was used to optimize the mechanical effectiveness of a customized integrated replacement prosthesis and to model stress distribution in the surrounding bone.Three-dimensional(3 D)printing was used to fabricate a customized prosthesis.With the assistance of AI,FEA,and 3 D printing technology,a personalized surgical plan and customized prosthesis were successfully constructed based on the patient’s disease.This approach achieved a successful therapeutic effect,demonstrating that AI-assisted personalized medicine holds great promise for the future.展开更多
基金funded by the NASA Virginia Space Grant Consortium Grant(Project Title:“Deep Reinforcement Learning for De-Novo Computational Design of Meta-Materials”).
文摘This paper presents a de-novo computational design method driven by deep reinforcement learning to achieve reliable predictions and optimum properties for periodic microstructures.With recent developments in 3-D printing,microstructures can have complex geometries and material phases fabricated to achieve targeted mechanical performance.These material property enhancements are promising in improving the mechanical,thermal,and dynamic performance in multiple engineering systems,ranging from energy harvesting applications to spacecraft components.The study investigates a novel and efficient computational framework that integrates deep reinforcement learning algorithms into finite element-based material simulations to quantitatively model and design 3-D printed periodic microstructures.These algorithms focus on improving the mechanical and thermal performance of engineering components by optimizing a microstructural architecture to meet different design requirements.Additionally,the machine learning solutions demonstrated equivalent results to the physics-based simulations while significantly improving the computational time efficiency.The outcomes of the project show promise to the automation of the design and manufacturing of microstructures to enable their fabrication in large quantities with the utilization of the 3-D printing technology.
文摘This paper presents the design of a computational software system that enables solutions of multi-phase and multi-scale problems in mechanics. It demonstrated how mechanicians can design “process-driven” software systems directly, and that such efforts are more suitable in solving multi-phase or multi-scale problems, rather than utilizing the “data-driven” approaches of legacy network systems. Specifically, this paper demonstrates how this approach can be used to solve problems in flexible dynamics. Then it suggests a view of mechanics algorithms as ‘state equilibrium’ enforcers residing as servers, rather than as computer programs that solve field equations. It puts forth the need for identical input/output files to ensure widespread deployment on laptops. Then it presents an assessment of the laptop platform. A software system such as the one presented here can also be used to supply virtual environments, animations and entertainment/education software with physics.
基金supported by a grant from the Research Grants Council of the Hong Kong Special Administrative Region,China(Project No.15308024)a grant from Research Centre for Carbon-Strategic Catalysis,The Hong Kong Polytechnic University(CE2X).
文摘Water electrolyzers play a crucial role in green hydrogen production.However,their efficiency and scalability are often compromised by bubble dynamics across various scales,from nanoscale to macroscale components.This review explores multi-scale modeling as a tool to visualize multi-phase flow and improve mass transport in water electrolyzers.At the nanoscale,molecular dynamics(MD)simulations reveal how electrode surface features and wettability influence nanobubble nucleation and stability.Moving to the mesoscale,models such as volume of fluid(VOF)and lattice Boltzmann method(LBM)shed light on bubble transport in porous transport layers(PTLs).These insights inform innovative designs,including gradient porosity and hydrophilic-hydrophobic patterning,aimed at minimizing gas saturation.At the macroscale,VOF simulations elucidate two-phase flow regimes within channels,showing how flow field geometry and wettability affect bubble discharging.Moreover,artificial intelligence(AI)-driven surrogate models expedite the optimization process,allowing for rapid exploration of structural parameters in channel-rib flow fields and porous flow field designs.By integrating these approaches,we can bridge theoretical insights with experimental validation,ultimately enhancing water electrolyzer performance,reducing costs,and advancing affordable,high-efficiency hydrogen production.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12205023,U2230401,12374056,U23A20537,11904027)。
文摘A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.
基金financial support provided by the National Natural Science Foundation of Yunnan Province(202301AS070040,202301AU070209)the Major Science and Technology Projects of Yunnan Province(202302AB080019-3)+3 种基金the Scientific Research Fund Project of Yunnan Provincial Department of Education(2023J0033)the Laboratory of Solid-State Ions for Green Energy of Yunnan Universitythe Analysis and Measurements Center of Yunnan University for the sample testing servicethe Electron Microscope Center of Yunnan University for the support of this work。
文摘The nitrate reduction via electrochemical catalysis offers an environmentally friendly method for sustainable ammonia production and wastewater remediation.However,conventional Co-based catalysts suffer from a major limitation:their nitrate(NO_(3)^(-))adsorption capacity remains weak.This drawback severely restricts their catalytic efficiency.To overcome this limitation,we synthesized a triphasic interface material(Cu/Co/CoO@C)via rapid joule heating and elucidated its performance-enhancing mechanisms.The exceptional catalytic performance originates from the phase interface-induced multiscale structural regulation.At the microscopic scale,electronic structure modulation through interfacial charge redistribution between Cu and Co/CoO significantly reduces intermediate adsorption energies.Co 3d and O 2p orbitals coupling generates a localized polarized electric field,enhancing NO_(3)^(-)activation.At the macroscopic scale,defect-rich structures improve mass transfer and expose abundant active sites.With the Cu/Co/CoO@C,the yield of NH_(3) is achieved to 2.03 mmol h^(-1)cm^(-2)(-0.4 V vs.RHE,Faradaic efficiency(FE)98.4%).The assembled Zn-NO_(3)^(-)battery delivered a maximum power density of 52.09 mW cm^(-2)and a NH_(3) production rate of 297.5μmol h^(-1)cm^(-2)(FE 95.4%).Based on these results,this work offers new insights into multiphase interface design.
基金supported by the National Key Research and Development Program of China(2021YFB3301200)the National Natural Science Foundation of China(NSFC)(U21A20483,62373040,62203042).
文摘Due to abrupt changes in the intrinsic degradation mechanism or shock from external environmental pressure,degradations of some equipment are characterized by multi-phase and jumps.Meanwhile,equipment is subject to inherent fluctuations,limited data and imperfect measurements resulting in aleatory,epistemic and measurement uncertainties of the degradation process.This paper proposes a degradation model and remaining useful life(RUL)prediction method under triple uncertainties for a category of complex equipment with multi-phase degradation and jumps.First,a multi-phase degradation model with random jumps and measurement errors is constructed based on uncertain random processes.Afterward,the analytic expression of RUL prediction considering the heterogeneity is derived by modeling the uncertainty of degradation states at change points under the concept of first hitting time.A stochastic uncertain approach is utilized for the proposed multi-phase degradation model to identify model parameters based on historical data.Furthermore,the implied degradation features are adaptively updated in online stage using similarity-based weighted stochastic uncertain maximum likelihood estimation and Kalman filtering.Finally,the effectiveness of the method is verified by simulation example and practical case.
文摘Optimization of microstructure for new generation advanced high strength steels(AHSS)for automobiles was briefly reviewed.Two different heat treatments(quenching partitioning austempering/QPA and quenching partitioning tempering/QPT)have been investigated to obtain optimal microstructures,which are made up of martensite(hard phase),retained austenite(soft phase),and carbide or nano-bainite.Combination of hot stamping and newly developed heat treatments is discussed.
文摘Purpose-Interface management is the process of managing communications,responsibilities and coordination of project parties,phases or physical entities which are dependent on one another.Interface management is a crucial part of managing any construction project-but particularly important for high-speed railway projects that often have several contractual parties and stakeholders,very long project timelines and huge upfront cost overlays.This paper discusses how various project interfaces were managed during the design and construction of the civil engineering infrastructure for the High Speed Two(HS2)project in the United Kingdom.Design/methodology/approach-The paper uses the case study methodology.Key interfaces on the HS2 project are grouped into various categories and the paper discusses how they were managed within the Area North Integrated Project Team(IPT)of the HS2 project made up of contractor Balfour Beatty VINCI(BBV),the Mott MacDonald SYSTRA Design Joint Venture(DJV)and client HS2 Ltd.3 different case studies drawn from across the IPT are used,each of them highlighting different interfaces and how these interfaces were managed.Findings-The paper shows how innovative technical designs and modern methods of construction were used to address some of the unique and peculiar challenges of designing a brand-new railway in the United Kingdom.Addressing the contrasting and often competing requirements of different stakeholders,coupled with challenging physical constraints of the very limited land available for the project and the use of a rarely used Act of Parliament in the delivery of the project required different approach to interface management.Collaboration and proactive stakeholder engagement are necessary for successful interface management on megaprojects.The authors posit that adopting an integrated approach to engineering and construction management is an essential ingredient for the successful delivery of high-speed railway projects.Originality/value-With many high-speed railway projects around the world coming up in the next few years,understanding the context and challenges for each country will help engineering and design managers adopt appropriate approaches for their projects.The lessons learned on the HS2 project are also transferable to other mega infrastructure projects with complex project interfaces.
基金Supported by the National Key Research and Development Program of China(2023YFB4104500,2023YFB4104502)the National Natural Science Foundation of China(22138013)the Taishan Scholar Project(ts201712020).
文摘Against the backdrop of escalating global climate change and energy crises,the resource utilization of carbon dioxide(CO_(2)),a major greenhouse gas,has become a crucial pathway for achieving carbon peaking and carbon neutrality goals.The hydrogenation of CO_(2)to methanol not only enables carbon sequestration and recycling,but also provides a route to produce high value-added fuels and basic chemical feedstocks,holding significant environmental and economic potential.However,this conversion process is thermodynamically and kinetically limited,and traditional catalyst systems(e.g.,Cu/ZnO/Al_(2)O_(3))exhibit inadequate activity,selectivity,and stability under mild conditions.Therefore,the development of novel high-performance catalysts with precisely tunable structures and functionalities is imperative.Metal-organic frameworks(MOFs),as crystalline porous materials with high surface area,tunable pore structures,and diverse metal-ligand compositions,have the great potential in CO_(2)hydrogenation catalysis.Their structural design flexibility allows for the construction of well-dispersed active sites,tailored electronic environments,and enhanced metal-support interactions.This review systematically summarizes the recent advances in MOF-based and MOF-derived catalysts for CO_(2)hydrogenation to methanol,focusing on four design strategies:(1)spatial confinement and in situ construction,(2)defect engineering and ion-exchange,(3)bimetallic synergy and hybrid structure design,and(4)MOF-derived nanomaterial synthesis.These approaches significantly improve CO_(2)conversion and methanol selectivity by optimizing metal dispersion,interfacial structures,and reaction pathways.The reaction mechanism is further explored by focusing on the three main reaction pathways:the formate pathway(HCOO*),the RWGS(Reverse Water Gas Shift reaction)+CO*hydrogenation pathway,and the trans-COOH pathway.In situ spectroscopic studies and density functional theory(DFT)calculations elucidate the formation and transformation of key intermediates,as well as the roles of active sites,metal-support interfaces,oxygen vacancies,and promoters.Additionally,representative catalytic performance data for MOFbased systems are compiled and compared,demonstrating their advantages over traditional catalysts in terms of CO_(2)conversion,methanol selectivity,and space-time yield.Future perspectives for MOF-based CO_(2)hydrogenation catalysts will prioritize two main directions:structural design and mechanistic understanding.The precise construction of active sites through multi-metallic synergy,defect engineering,and interfacial electronic modulation should be made to enhance catalyst selectivity and stability.In addition,advanced in situ characterization techniques combined with theoretical modeling are essential to unravel the detailed reaction mechanisms and intermediate behaviors,thereby guiding rational catalyst design.Moreover,to enable industrial application,challenges related to thermal/hydrothermal stability,catalyst recyclability,and cost-effective large-scale synthesis must be addressed.The development of green,scalable preparation methods and the integration of MOF catalysts into practical reaction systems(e.g.,flow reactors)will be crucial for bridging the gap between laboratory research and commercial deployment.Ultimately,multi-scale structure-performance optimization and catalytic system integration will be vital for accelerating the industrialization of MOF-based CO_(2)-to-methanol technologies.
基金supported by the National Natural Science Foundation of China (Grant No.52405033)。
文摘As unmanned underwater vehicles (UUVs) are increasingly designed to perform long-duration missions in highly complex and often extreme environments, traditional design methods face significant and growing challenges^([1,2]).
文摘Compact size,high brightness,and wide field of view(FOV)are key requirements for long-wave infrared imagers used in military surveillance or night navigation.However,to meet the imaging requirements of high resolution and wide FOV,infrared optical systems often adopt complex optical lens groups,which will increase the size and weight of the optical system.In this paper,a strategy based on wavefront coding(WFC)is proposed to design a compact wide-FOV infrared imager.A cubic phase mask is inserted into the pupil plane of the infrared imager to correct the aberration.The simulated results show that,the WFC infrared imager has good imaging quality in a wide FOV of±16°.In addition,the WFC infrared imager achieves compactness with its 40 mm×40 mm×40 mm size.A fast focal ratio of 1 combined with an entrance pupil diameter of 25 mm ensures brightness.This work is of significance for designing a compact wide-FOV infrared imager.
基金sponsored by the National Key Scientific Instrument and Equipment Development Projects of China(Grant No.62027823)the National Natural Science Foun-dation of China(Grant No.61775048).
文摘In recent years,the use of deep learning to replace traditional numerical methods for electromagnetic propagation has shown tremendous potential in the rapid design of photonic devices.However,most research on deep learning has focused on single-layer grating couplers,and the accuracy of multi-layer grating couplers has not yet reached a high level.This paper proposes and demonstrates a novel deep learning network-assisted strategy for inverse design.The network model is based on a multi-layer perceptron(MLP)and incorporates convolutional neural networks(CNNs)and transformers.Through the stacking of multiple layers,it achieves a high-precision design for both multi-layer and single-layer raster couplers with various functionalities.The deep learning network exhibits exceptionally high predictive accuracy,with an average absolute error across the full wavelength range of 1300–1700 nm being only 0.17%,and an even lower predictive absolute error below 0.09%at the specific wavelength of 1550 nm.By combining the deep learning network with the genetic algorithm,we can efficiently design grating couplers that perform different functions.Simulation results indicate that the designed single-wavelength grating couplers achieve coupling efficiencies exceeding 80%at central wavelengths of 1550 nm and 1310 nm.The performance of designed dual-wavelength and broadband grating couplers also reaches high industry standards.Furthermore,the network structure and inverse design method are highly scalable and can be applied not only to multi-layer grating couplers but also directly to the prediction and design of single-layer grating couplers,providing a new perspective for the innovative development of photonic devices.
基金the financial supports from National Key R&D Program for Young Scientists of China(Grant No.2022YFC3080900)National Natural Science Foundation of China(Grant No.52374181)+1 种基金BIT Research and Innovation Promoting Project(Grant No.2024YCXZ017)supported by Science and Technology Innovation Program of Beijing institute of technology under Grant No.2022CX01025。
文摘In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.
基金supported by the National Natural Science Foundation of China(NSFC)(Nos.42225405 and U2106202)。
文摘In recent years,there have been fewer missions to detect neutrons in low Earth orbits(LEO),and the data obtained have been extremely limited.Studying the distribution of the neutron energy spectrum in LEO satellites through detection can help solve three major scientific problems:the source of particles in the inner radiation belt,information on solar-accelerated particles,and the proportion of neutrons from different sources in near-Earth space.The detection efficiency and accuracy of neutrons are affected by charged and primary particles in the environment and secondary neutrons produced by the spacecraft itself,which has been a hot research topic.The neutron spectrometer developed in this study adopts two combinations of 15 silicon detectors in terms of detector type and arrangement,which are used for neutron detection via the nuclear reaction method and recoil proton method,respectively,in which a 27μm-thick^(6)LiF conversion layer is used for thermal neutron detection up to 0.4 eV and a 300μm-thick high-density polyethylene conversion layer is used for fast-neutron detection up to 14 MeV and below.The design of the detector set can also remove the influence of primary charged particles and secondary neutrons in the detection environment to a certain extent,thereby improving the accuracy of neutron detection.In this study,the neutron spectrometer hardware,firmware,software design,and basic performance of the front-end readout chip SKIROC2A were tested.The readout circuit of each channel baseline ADC code was less than 17;thus,the channel consistency was good.The RMS noise of the channel baseline was only 7.1 mV and exhibited good stability.The maximum number of events that could be processed per second is 75.The overall power consumption was 3 W,the weight was 792 g,and the volume was less than 1 dm^(3).Furthermore,the neutron spectrometer was tested for principle and detection efficiency using various neutron sources,such as ^(241)Am-Be neutron source,2.5 MeV neutron beam,and 14 MeV neutron beam,and the experiments were analyzed with corresponding simulations.The experimental data and simulation results were in good agreement and met the design requirements.The intrinsic detection efficiency of the probes used in the neutron spectrometer was 1.05%for 14 MeV fast neutrons.
基金supported by the National Natural Science Foundation of China (52172228)the Natural Science Foundation of Fujian Province (2024J01475 and 2023J05127)
文摘Lithium-sulfur batteries(LSBs)represent a next-generation energy storage technology,but widespread applications are restricted by the shuttle of lithium polysulfides(LiPSs).The rational design of separators has been demonstrated to be one of the most efficient and cost-effective strategies to curb the shuttle effect,and tremendous research progress has been achieved.The efficiency of a separator depends on its interaction with LiPSs,which is governed by the surface energy and binding strength.Despite several review works that have been reported to advance the separators,most of them primarily focus on active material innovation and construction.The most crucial issues of surface binding energy have not been systematically reviewed,limiting the precise design of efficient separators.In this review,fundamentals related to surface energy and binding interactions with LiPSs are comprehensively analyzed and discussed.With surface binding and energy main lines,the advancements in separator engineering strategies are elaborately summarized and discussed.Moreover,techniques for evaluating affinity to LiPSs are thoroughly analyzed to avoid any ambiguities in measurement.Based on the research context,valuable research directions are suggested to construct efficient separators.This work provides guidelines to regulate the surface binding and energy of separators for high-performance LSBs.
基金supported by Project of National and Local Joint Engineering Research Center for Biomass Energy Development and Utilization(Harbin Institute of Technology,No.2021A004).
文摘Machine learning(ML)is recognized as a potent tool for the inverse design of environmental functional material,particularly for complex entities like biochar-based catalysts(BCs).Thus,the tailored BCs can have a distinct ability to trigger the nonradical pathway in advance oxidation processes(AOPs),promising a stable,rapid and selective degradation of persistent contaminants.However,due to the inherent“black box”nature and limitations of input features,results and conclusions derived from ML may not always be intuitively understood or comprehensively validated.To tackle this challenge,we linked the front-point interpretable analysis approaches with back-point density functional theory(DFT)calculations to form a chained learning strategy for deeper sight into the intrinsic activation mechanism of BCs in AOPs.At the front point,we conducted an easy-to-interpret meta-analysis to validate two strategies for enhancing nonradical pathways by increasing oxygen content and specific surface area(SSA),and prepared oxidized biochar(OBC500)and SSA-increased biochar(SBC900)by controlling pyrolysis conditions and modification methods.Subsequently,experimental results showed that OBC500 and SBC900 had distinct dominant degradation pathways for 1O2 generation and electron transfer,respectively.Finally,at the end point,DFT calculations revealed their active sites and degradation mechanisms.This chained learning strategy elucidates fundamental principles for BC inverse design and showcases the exceptional capacity to integrate computational techniques to accelerate catalyst inverse design.
基金supported by the National Natural Science Foundation of China (Grant No.12575180)the Lingchuang Research Project of China National Nuclear Corporation (CNNC)。
文摘From an engineering feasibility standpoint, what level of performance metrics can be ultimately achieved when designing a reactor using well-established nuclear fuels and structural materials that have already undergone irradiation testing? The irradiation capability, which hinges on parameters like neutron flux level, irradiation channels' volume, and fuel cycle duration, is a core indicator for high-flux reactors. We propose a conceptual design of an ultra-high flux fast reactor(UFFR) with strong irradiation capability, which utilizes U-20Pu-10Zr alloy fuel and employs lead-bismuth as the coolant. The maximum neutron flux in the core reaches 1.32×10^(16) cm^(-2)s^(-1), while the average neutron flux in the irradiation channels attains 1.19×10^(16) cm^(-2)s^(-1). The volume of the central irradiation channel exceeds 10000 cm^(3), and the fuel cycle duration is 165 d, placing all its performance indicators among the top in the world. Based on the analyses of reactor physics and thermalhydraulics, it has been demonstrated that all reactivity coefficients are negative and all physical parameters meet the design criteria, ensuring the inherent safety of UFFR. An assessment of the irradiation capability has been carried out based on californium-252(^(252)Cf) production, indicating that the irradiation capability of UFFR surpasses that of the high flux isotope reactor(HFIR). The yield of ^(252)Cf from UFFR is 14.39 times that of HFIR, and its nuclei conversion rate is 3.21 times that of HFIR.
基金partially supported by the National Natural Science Foundation of China(Nos.32471474 and 82102574)the Precision Medicine Project of People’s Hospital of Xinjiang Uygur Autonomous Region(No.20220305)+4 种基金Chengdu Advanced Metal Materials Industry Technology Research Institute Co.,Ltd.Support Project(No.24H0802)Sichuan Science and Technology Program(Nos.2025YFHZ0086,2023YFS0053,2024YFHZ0125,and 2025ZNSFSC0381)Project of Tianfu Jincheng Laboratory(No.2025ZH009)Guangdong Basic and Applied Basic Research Foundation(No.2023A1515220102)Xinjiang Autonomous Region Science and Technology Support Project Plan(Directive)Project(No.2024E02049)。
文摘Cases of widespread bone hydatid infection are relatively rare in clinical practice.In this study,we reported for the first time a validated integrated repair therapy for multiple bone tissues,including the hip,femur,and knee,caused by echinococ cosis.Artificial intelligence(AI)was used to develop a targeted surgical plan and to design a personalized prosthesis.Finite element analysis(FEA)was used to optimize the mechanical effectiveness of a customized integrated replacement prosthesis and to model stress distribution in the surrounding bone.Three-dimensional(3 D)printing was used to fabricate a customized prosthesis.With the assistance of AI,FEA,and 3 D printing technology,a personalized surgical plan and customized prosthesis were successfully constructed based on the patient’s disease.This approach achieved a successful therapeutic effect,demonstrating that AI-assisted personalized medicine holds great promise for the future.
