Ti-10V-2Fe-3Al alloy with fine-grainedβphases was fabricated by friction stir processing with opti-mized processing parameters.The superplastic behavior of the specimens was investigated by tensile deformation at dif...Ti-10V-2Fe-3Al alloy with fine-grainedβphases was fabricated by friction stir processing with opti-mized processing parameters.The superplastic behavior of the specimens was investigated by tensile deformation at different strain rates and temperatures,and an optimal superplastic elongation of 634%was achieved at 700℃ and 3×10^(-4)/s.An annealing treatment at 650℃ for 60 min showed a mi-crostructure withαprecipitates distributed in theβmatrix in the friction stir specimen.Such pre-heat treatment improves the superplasticity of the specimen,achieving an elongation of up to 807%at 750℃ and 3×10^(-4)/s.The influences of tensile temperatures and strain rates on the microstructural evolution,such as grain size variation,grain morphology,and phase transformations,were discussed.The super-plastic deformation behavior of fine-grained Ti-10V-2Fe-3Al alloy is controlled by grain boundary sliding and accompanied by dynamic phase transformation and recrystallization.展开更多
The grain boundary diffusion process(GBDP)has proven to be an effective method for enhancing the coercivity of sintered Nd-Fe-B magnets.However,the limited diffusion depth and thicker shell struc-ture have impeded the...The grain boundary diffusion process(GBDP)has proven to be an effective method for enhancing the coercivity of sintered Nd-Fe-B magnets.However,the limited diffusion depth and thicker shell struc-ture have impeded the further development of magnetic properties.Currently,the primary debates re-garding the mechanism of GBDP with Tb revolve around the dissolution-solidification mechanism and the atomic substitution mechanism.To clarify this mechanism,the microstructure evolution of sintered Nd-Fe-B magnets during the heating process of GBDP has been systematically studied by quenching at different tem peratures.In this study,it was found that the formation of TbFe_(2) phase is related to the dis-solution of _(2)Fe_(14)B grains during GBDP with Tb.The theory of mixing heat and phase separation further confirms that the Nd_(2)Fe_(14)B phase dissolves to form a mixed phase of Nd and TbFe_(2),which then solidifies into the(Nd,Tb)_(2)Fe_(14)B phase.Based on the discovery of the TbFe_(2) phase,the dissolution-solidification mechanism is considered the primary mechanism for GBDP.This is supported by the elemental content of the two typical core-shell structures observed.展开更多
Estimating the multi-year average air-sea CO_(2) flux over a large area usually involves the use of monthly mean variables from the atmosphere and ocean.Ignoring sub-monthly processes will blur the oceanic carbon cycl...Estimating the multi-year average air-sea CO_(2) flux over a large area usually involves the use of monthly mean variables from the atmosphere and ocean.Ignoring sub-monthly processes will blur the oceanic carbon cycle,especially when the synoptic and sub-seasonal scale processes are significant,like in the South China Sea(SCS).Based on an empirical relationship between the partial pressure of CO_(2) in water and the sea surface temperature(SST),we recalculated the air-sea CO_(2) flux of the SCS with daily products of atmospheric reanalysis and SST.Our results show that the sub-monthly process contributes 10%of the total CO_(2) flux of the SCS and can even alter the sign of the CO_(2) flux in the spring.In the near-surface coupling process,intramonthly variations in surface winds play the dominant role,except in regions with significant ocean eddies.The co-spectrum analysis of SST and wind speed reveals the most essential oscillation of>20 days.Therefore,a product of the sea surface environment for 10-day intervals can better estimate the air-sea CO_(2) flux over the SCS than monthly data.展开更多
The growing demand for carbon neutrality has heightened the focus on CO_(2)hydrogenation as a viable strategy for transforming carbon dioxide into valuable chemicals and fuels.Advanced machine learning(ML)approaches i...The growing demand for carbon neutrality has heightened the focus on CO_(2)hydrogenation as a viable strategy for transforming carbon dioxide into valuable chemicals and fuels.Advanced machine learning(ML)approaches integrate materials science with artificial intelligence,enabling scientists to identify hidden patterns in datasets,make informed decisions,and reduce the need for labor-intensive,repetitive experimentation.This review provides a comprehensive overview of ML applications in the thermocatalytic hydrogenation of CO_(2).Following an introduction to ML tools and workflows,various ML algorithms employed in CO_(2)hydrogenation are systematically categorized and reviewed.Next,the application of ML in catalyst discovery is discussed,highlighting its role in identifying optimal compositions and structures.Then,ML-driven strategies for process optimization,particularly in enhancing CO_(2)conversion and product selectivity,are examined.Studies modeling descriptors,spanning catalyst properties and reaction conditions,to predict catalytic performance are analyzed.Consequently,ML-based mechanistic studies are reviewed to elucidate reaction pathways,identify key intermediates,and optimize catalyst performance.Finally,key challenges and future perspectives in leveraging ML for advancing CO_(2)hydrogenation research are presented.展开更多
To solve the problems of deformation,micro-cracks,and residual tensile stress in laser cladding coatings,the technique of laser cladding with Fe-based memory alloy can be considered.However,the process of in-situ synt...To solve the problems of deformation,micro-cracks,and residual tensile stress in laser cladding coatings,the technique of laser cladding with Fe-based memory alloy can be considered.However,the process of in-situ synthesis of Fe-based memory alloy coatings is extremely complex.At present,there is no clear guidance scheme for its preparation process,which limits its promotion and application to some extent.Therefore,in this study,response surface methodology(RSM)was used to model the response surface between the target values and the cladding process parameters.The NSGA-2 algorithm was employed to optimize the process parameters.The results indicate that the composite optimization method consisting of RSM and the NSGA-2 algorithm can establish a more accurate model,with an error of less than 4.5%between the predicted and actual values.Based on this established model,the optimal scheme for process parameters corresponding to different target results can be rapidly obtained.The prepared coating exhibits a uniform structure,with no defects such as pores,cracks,and deformation.The surface roughness and microhardness of the coating are enhanced,the shaping quality of the coating is effectively improved,and the electrochemical corrosion performance of the coating in 3.5%NaCl solution is obviously better than that of the substrate,providing an important guide for engineering applications.展开更多
Low-salinity water(LSW)and CO_(2) could be combined to perform better in a hydrocarbon reservoir due to their synergistic advantages for enhanced oil recovery(EOR);however,its microscopic recovery mechanisms have not ...Low-salinity water(LSW)and CO_(2) could be combined to perform better in a hydrocarbon reservoir due to their synergistic advantages for enhanced oil recovery(EOR);however,its microscopic recovery mechanisms have not been well understood due to the nature of these two fluids and their physical reactions in the presence of reservoir fluids and porous media.In this work,well-designed and inte-grated experiments have been performed for the first time to characterize the in-situ formation of micro-dispersions and identify their EOR roles during a LSW-alternating-CO_(2)(CO_(2)-LSWAG)process under various conditions.Firstly,by measuring water concentration and performing the Fourier transform infrared spectroscopy(FT-IR)analysis,the in-situ formation of micro-dispersions induced by polar and acidic materials was identified.Then,displacement experiments combining with nuclear magnetic resonance(NMR)analysis were performed with two crude oil samples,during which wettability,interfacial tension(IFT),CO_(2) dissolution,and CO_(2) diffusion were quantified.During a CO_(2)-LSWAG pro-cess,the in-situ formed micro-dispersions dictate the oil recovery,while the presence of clay minerals,electrical double-layer(EDL)expansion and multiple ion exchange(MIE)are found to contribute less.Such formed micro-dispersions are induced by CO_(2) via diffusion to mobilize the CO_(2)-diluted oil,alter the rock wettability towards more water-wet,and minimize the density contrast between crude oil and water.展开更多
The alloying process of Mg-La in NaCl-KCl-MgCl_(2)-LaCl_(3)(NKML)melts during electroreduction was elucidated using electrochemical techniques and deep potential molecular dynamics(DPMD)simulations.In the NKML system,...The alloying process of Mg-La in NaCl-KCl-MgCl_(2)-LaCl_(3)(NKML)melts during electroreduction was elucidated using electrochemical techniques and deep potential molecular dynamics(DPMD)simulations.In the NKML system,the Mg^(2+)/La^(3+)electrodeposition on the tungsten(W)electrode at 973 K was found to be a one-step process.The nucleation of metal ions on the electrode surface followed an instantaneous nucleation mode and was not influenced by the alloying process.The redox potential and underpotential deposition behavior of the metal ions in the NKML system were accurately predicted by the DPMD simulations,confirming the alloying process of the Mg-La.Additionally,scanning electron microscopy with energy dispersive spectroscopy(SEM-EDS)analysis results confirmed that the cathodic deposits consisted of a bright phase and a dark phase,corresponding to the Mg-La alloys and Mg,respectively.The distribution of electrolytic products suggests that the cathodic deposit initially favors the Mg phase,with the Mg-La alloy forming more easily when the Mg source in the melt is depleted.展开更多
A series of Al-Ti-B master alloys were prepared by different preparation routes,and the TiB2 particles in the master alloys were extracted and analyzed.It is found that the forming process has significant influence on...A series of Al-Ti-B master alloys were prepared by different preparation routes,and the TiB2 particles in the master alloys were extracted and analyzed.It is found that the forming process has significant influence on the three-dimensional morphology of TiB2 particles.Different preparation routes result in different reaction forms,which accounts for the morphology variation of TiB2 particles.When the Al-Ti-B master alloy is prepared using ＂halide salt＂ route,TiB2 particles exhibit hexagonal platelet morphology and are independent with each other.In addition,the reaction temperature almost does not have influence on the morphology of TiB2 particles.However,TiB2 particles exhibit different morphologies at different reaction temperatures when the master alloys are prepared with Al-3B and Ti sponge.When the master alloy is prepared at 850 ℃,a kind of TiB2 particle agglomeration forms with a size larger than 5 μm.The TiB2 particles change to layered stacking morphology even dendritic morphology with the reaction temperature reaching up to 1200 ℃.展开更多
基金financially supported by the National Natural Science Foundation of China(No.52105373)the China Scholarship Council(No.202106020094).
文摘Ti-10V-2Fe-3Al alloy with fine-grainedβphases was fabricated by friction stir processing with opti-mized processing parameters.The superplastic behavior of the specimens was investigated by tensile deformation at different strain rates and temperatures,and an optimal superplastic elongation of 634%was achieved at 700℃ and 3×10^(-4)/s.An annealing treatment at 650℃ for 60 min showed a mi-crostructure withαprecipitates distributed in theβmatrix in the friction stir specimen.Such pre-heat treatment improves the superplasticity of the specimen,achieving an elongation of up to 807%at 750℃ and 3×10^(-4)/s.The influences of tensile temperatures and strain rates on the microstructural evolution,such as grain size variation,grain morphology,and phase transformations,were discussed.The super-plastic deformation behavior of fine-grained Ti-10V-2Fe-3Al alloy is controlled by grain boundary sliding and accompanied by dynamic phase transformation and recrystallization.
基金supported by the National Key Research and Development Program of China(2022YFB3505503)the National Natural Science Foundation of China(52201230)+2 种基金the Key R&D Program of Shandong Province(2022CXGC020307)the China Postdoctoral Science Foundation(2022M71204)the Beijing NOVA Program(Z211100002121092).
文摘The grain boundary diffusion process(GBDP)has proven to be an effective method for enhancing the coercivity of sintered Nd-Fe-B magnets.However,the limited diffusion depth and thicker shell struc-ture have impeded the further development of magnetic properties.Currently,the primary debates re-garding the mechanism of GBDP with Tb revolve around the dissolution-solidification mechanism and the atomic substitution mechanism.To clarify this mechanism,the microstructure evolution of sintered Nd-Fe-B magnets during the heating process of GBDP has been systematically studied by quenching at different tem peratures.In this study,it was found that the formation of TbFe_(2) phase is related to the dis-solution of _(2)Fe_(14)B grains during GBDP with Tb.The theory of mixing heat and phase separation further confirms that the Nd_(2)Fe_(14)B phase dissolves to form a mixed phase of Nd and TbFe_(2),which then solidifies into the(Nd,Tb)_(2)Fe_(14)B phase.Based on the discovery of the TbFe_(2) phase,the dissolution-solidification mechanism is considered the primary mechanism for GBDP.This is supported by the elemental content of the two typical core-shell structures observed.
基金supported by the National Key Research and Development Program of China (Grant No. 2023YFF0805502)the Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (Grant No. SML2022SP401)+1 种基金the Ocean Negative Carbon Emissions (ONCE) Programthe National Natural Science Foundation of China (Grant No. 42305078)
文摘Estimating the multi-year average air-sea CO_(2) flux over a large area usually involves the use of monthly mean variables from the atmosphere and ocean.Ignoring sub-monthly processes will blur the oceanic carbon cycle,especially when the synoptic and sub-seasonal scale processes are significant,like in the South China Sea(SCS).Based on an empirical relationship between the partial pressure of CO_(2) in water and the sea surface temperature(SST),we recalculated the air-sea CO_(2) flux of the SCS with daily products of atmospheric reanalysis and SST.Our results show that the sub-monthly process contributes 10%of the total CO_(2) flux of the SCS and can even alter the sign of the CO_(2) flux in the spring.In the near-surface coupling process,intramonthly variations in surface winds play the dominant role,except in regions with significant ocean eddies.The co-spectrum analysis of SST and wind speed reveals the most essential oscillation of>20 days.Therefore,a product of the sea surface environment for 10-day intervals can better estimate the air-sea CO_(2) flux over the SCS than monthly data.
文摘The growing demand for carbon neutrality has heightened the focus on CO_(2)hydrogenation as a viable strategy for transforming carbon dioxide into valuable chemicals and fuels.Advanced machine learning(ML)approaches integrate materials science with artificial intelligence,enabling scientists to identify hidden patterns in datasets,make informed decisions,and reduce the need for labor-intensive,repetitive experimentation.This review provides a comprehensive overview of ML applications in the thermocatalytic hydrogenation of CO_(2).Following an introduction to ML tools and workflows,various ML algorithms employed in CO_(2)hydrogenation are systematically categorized and reviewed.Next,the application of ML in catalyst discovery is discussed,highlighting its role in identifying optimal compositions and structures.Then,ML-driven strategies for process optimization,particularly in enhancing CO_(2)conversion and product selectivity,are examined.Studies modeling descriptors,spanning catalyst properties and reaction conditions,to predict catalytic performance are analyzed.Consequently,ML-based mechanistic studies are reviewed to elucidate reaction pathways,identify key intermediates,and optimize catalyst performance.Finally,key challenges and future perspectives in leveraging ML for advancing CO_(2)hydrogenation research are presented.
基金financial supports from the National Natural Science Foundation of China-Youth Project(51801076)the Provincial Colleges and Universities Natural Science Research Project of Jiangsu Province(18KJB430009)+1 种基金the Postdoctoral Research Support Project of Jiangsu Province(1601055C)the Senior Talents Research Startup of Jiangsu University(14JDG126)。
文摘To solve the problems of deformation,micro-cracks,and residual tensile stress in laser cladding coatings,the technique of laser cladding with Fe-based memory alloy can be considered.However,the process of in-situ synthesis of Fe-based memory alloy coatings is extremely complex.At present,there is no clear guidance scheme for its preparation process,which limits its promotion and application to some extent.Therefore,in this study,response surface methodology(RSM)was used to model the response surface between the target values and the cladding process parameters.The NSGA-2 algorithm was employed to optimize the process parameters.The results indicate that the composite optimization method consisting of RSM and the NSGA-2 algorithm can establish a more accurate model,with an error of less than 4.5%between the predicted and actual values.Based on this established model,the optimal scheme for process parameters corresponding to different target results can be rapidly obtained.The prepared coating exhibits a uniform structure,with no defects such as pores,cracks,and deformation.The surface roughness and microhardness of the coating are enhanced,the shaping quality of the coating is effectively improved,and the electrochemical corrosion performance of the coating in 3.5%NaCl solution is obviously better than that of the substrate,providing an important guide for engineering applications.
基金support by The CO_(2) Flooding and Storage Safety Monitoring Technology(Grant 2023YFB4104200)The Dynamic Evolution of Marine CO_(2) Geological Sequestration Bodies and The Mechanism of Sequestration Efficiency Enhancement(Grant U23B2090)The Efficient Development Technology and Demonstration Project of Offshore CO_(2) Flooding(Grant KJGG-2022-12-CCUS-0203).
文摘Low-salinity water(LSW)and CO_(2) could be combined to perform better in a hydrocarbon reservoir due to their synergistic advantages for enhanced oil recovery(EOR);however,its microscopic recovery mechanisms have not been well understood due to the nature of these two fluids and their physical reactions in the presence of reservoir fluids and porous media.In this work,well-designed and inte-grated experiments have been performed for the first time to characterize the in-situ formation of micro-dispersions and identify their EOR roles during a LSW-alternating-CO_(2)(CO_(2)-LSWAG)process under various conditions.Firstly,by measuring water concentration and performing the Fourier transform infrared spectroscopy(FT-IR)analysis,the in-situ formation of micro-dispersions induced by polar and acidic materials was identified.Then,displacement experiments combining with nuclear magnetic resonance(NMR)analysis were performed with two crude oil samples,during which wettability,interfacial tension(IFT),CO_(2) dissolution,and CO_(2) diffusion were quantified.During a CO_(2)-LSWAG pro-cess,the in-situ formed micro-dispersions dictate the oil recovery,while the presence of clay minerals,electrical double-layer(EDL)expansion and multiple ion exchange(MIE)are found to contribute less.Such formed micro-dispersions are induced by CO_(2) via diffusion to mobilize the CO_(2)-diluted oil,alter the rock wettability towards more water-wet,and minimize the density contrast between crude oil and water.
基金support from the National Natural Science Foundation of China(No.U20A20147).
文摘The alloying process of Mg-La in NaCl-KCl-MgCl_(2)-LaCl_(3)(NKML)melts during electroreduction was elucidated using electrochemical techniques and deep potential molecular dynamics(DPMD)simulations.In the NKML system,the Mg^(2+)/La^(3+)electrodeposition on the tungsten(W)electrode at 973 K was found to be a one-step process.The nucleation of metal ions on the electrode surface followed an instantaneous nucleation mode and was not influenced by the alloying process.The redox potential and underpotential deposition behavior of the metal ions in the NKML system were accurately predicted by the DPMD simulations,confirming the alloying process of the Mg-La.Additionally,scanning electron microscopy with energy dispersive spectroscopy(SEM-EDS)analysis results confirmed that the cathodic deposits consisted of a bright phase and a dark phase,corresponding to the Mg-La alloys and Mg,respectively.The distribution of electrolytic products suggests that the cathodic deposit initially favors the Mg phase,with the Mg-La alloy forming more easily when the Mg source in the melt is depleted.
基金Project(50625101) supported by the National Science Fund for Distinguished Young Scholars of ChinaProject supported by Graduate Independent Innovation Foundation of Shandong University(GIIFSDU),ChinaProject(51071097) supported by the National Natural Science Foundation of China
文摘A series of Al-Ti-B master alloys were prepared by different preparation routes,and the TiB2 particles in the master alloys were extracted and analyzed.It is found that the forming process has significant influence on the three-dimensional morphology of TiB2 particles.Different preparation routes result in different reaction forms,which accounts for the morphology variation of TiB2 particles.When the Al-Ti-B master alloy is prepared using ＂halide salt＂ route,TiB2 particles exhibit hexagonal platelet morphology and are independent with each other.In addition,the reaction temperature almost does not have influence on the morphology of TiB2 particles.However,TiB2 particles exhibit different morphologies at different reaction temperatures when the master alloys are prepared with Al-3B and Ti sponge.When the master alloy is prepared at 850 ℃,a kind of TiB2 particle agglomeration forms with a size larger than 5 μm.The TiB2 particles change to layered stacking morphology even dendritic morphology with the reaction temperature reaching up to 1200 ℃.
