A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDO...A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more homogeneously.Besides,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress mitigation.This paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.展开更多
Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a la...Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a large irradiation spot simultaneously generated ultrasonic longitudinal and shear waves at the epicenter under the slight ablation regime.An optimized denoising technique based on wavelet thresholding and variational mode decomposition was applied to reduce noise in shear waves with a low signal-to-noise ratio.An approach for characterizing grain size was proposed using spectral central frequency ratio(SCFR)based on time-frequency analysis.The results demonstrate that the generation regime of ultrasonic waves is not solely determined by the laser power density;even at high power densities,a high energy with a large spot can generate an ultrasonic waveform dominated by the thermoelastic effect.This is ascribed to the intensification of the thermoelastic effect with the proportional increase in laser irradiation spot area for a given laser power density.Furthermore,both longitudinal and shear wave SCFRs are linearly related to grain size in polycrystalline materials;however,the shear wave SCFR is more sensitive to finer-grained materials.This study holds great significance for evaluating metal material properties using laser ultrasound.展开更多
Synthesis of ZSM-5 zeolite typically utilizes small molecule polyamines or quaternary ammonium salts as organic structure guiding agent(OSDA).By contrast,the OSDA-free hydrothermal synthesis system eliminates the use ...Synthesis of ZSM-5 zeolite typically utilizes small molecule polyamines or quaternary ammonium salts as organic structure guiding agent(OSDA).By contrast,the OSDA-free hydrothermal synthesis system eliminates the use of organic templates and the subsequent calcination procedure.This not only reduces the cost of synthesis,but also prevents environmental pollution from the combustion of organic templates,representing an eco-friendly approach.Despite this,literature suggests that even so-called template-free synthesis systems often involve trace amount of organic substances like alcohol.In the present work,a calcined commercial ZSM-5 zeolite was served as seed,with sodium aluminate as aluminum source and silica sol as silicon source,ensuring an entirely template-free synthesis system.Polycrystalline ZSM-5 aggregates consisted of rod-like nanocrystals were successfully prepared in the completely OSDA-free system.Effects of the Si/Al ratio in ZSM-5 seed,dosage and crystallization conditions such as crystallization temperature and crystallization time on ZSM-5 synthesis were investigated.The results show that a highly crystallinity ZSM-5 aggregate consisting of primary nano-sized crystals less than 100 nm is produced from a gel precursor with 5.6%(in mass)seed after hydrothermal treatment for 48 h.Furthermore,the Si/Al ratio in ZSM-5 seed has little effect on the topological structure and pore structure of the synthesized samples.However,the seeds with a low Si/Al ratio facilitate faster crystallization of zeolite and enhance the acidity,especially the strong acid centers,of the catalyst.The catalytic performance of the synthesized polycrystalline ZSM-5 was evaluated during dehydration of methanol and compared with a commercial reference ZSM-5r.The results exhibit that as compared with the reference catalyst,the fabricated sample has a longer catalytic lifetime(16 h vs 8 h)attributed to its hierarchical pores derived from the loosely packed primary nanoparticles.Additionally,the prepared polycrystalline catalyst also exhibits a higher aromatics selectivity(28.1%-29.8%vs 26.5%).展开更多
Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction technique.It is suggested that polycrystalline iron changes from an init...Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction technique.It is suggested that polycrystalline iron changes from an initial body-centered cubic structure to a hexagonal close-packed structure with increasing pressure(i.e.,a phase transition fromαtoε).The relationship between density and pressure for polycrystalline iron obtained from the present experiments is found to be in good agreement with the gas-gun Hugoniot data.Our results show that experiments with samples at lower temperatures under static loading,such as in a diamond anvil cell,lead to higher densities measured than those found under dynamic loading.This means that extrapolating results of static experiments may not predict the dynamic responses of materials accurately.In addition,neither the face-centered cubic structure seen in previous molecular-dynamics simulations or twophase coexistence are found within our experimental pressure range.展开更多
Polycrystalline materials are extensively employed in industry.Its surface roughness significantly affects the working performance.Material defects,particularly grain boundaries,have a great impact on the achieved sur...Polycrystalline materials are extensively employed in industry.Its surface roughness significantly affects the working performance.Material defects,particularly grain boundaries,have a great impact on the achieved surface roughness of polycrystalline materials.However,it is difficult to establish a purely theoretical model for surface roughness with consideration of the grain boundary effect using conventional analytical methods.In this work,a theoretical and deep learning hybrid model for predicting the surface roughness of diamond-turned polycrystalline materials is proposed.The kinematic–dynamic roughness component in relation to the tool profile duplication effect,work material plastic side flow,relative vibration between the diamond tool and workpiece,etc,is theoretically calculated.The material-defect roughness component is modeled with a cascade forward neural network.In the neural network,the ratio of maximum undeformed chip thickness to cutting edge radius RT S,work material properties(misorientation angle θ_(g) and grain size d_(g)),and spindle rotation speed n s are configured as input variables.The material-defect roughness component is set as the output variable.To validate the developed model,polycrystalline copper with a gradient distribution of grains prepared by friction stir processing is machined with various processing parameters and different diamond tools.Compared with the previously developed model,obvious improvement in the prediction accuracy is observed with this hybrid prediction model.Based on this model,the influences of different factors on the surface roughness of polycrystalline materials are discussed.The influencing mechanism of the misorientation angle and grain size is quantitatively analyzed.Two fracture modes,including transcrystalline and intercrystalline fractures at different RTS values,are observed.Meanwhile,optimal processing parameters are obtained with a simulated annealing algorithm.Cutting experiments are performed with the optimal parameters,and a flat surface finish with Sa 1.314 nm is finally achieved.The developed model and corresponding new findings in this work are beneficial for accurately predicting the surface roughness of polycrystalline materials and understanding the impacting mechanism of material defects in diamond turning.展开更多
Oxygen and carbon behaviors and minority-carrier lifetimes in multi-crystalline silicon （mc-Si） used for solar cells are investigated by FTIR and QSSPCD before and after annealing at 750～ 1150℃ in N2 and O2 ambien...Oxygen and carbon behaviors and minority-carrier lifetimes in multi-crystalline silicon （mc-Si） used for solar cells are investigated by FTIR and QSSPCD before and after annealing at 750～ 1150℃ in N2 and O2 ambient. For comparison, the annealing of CZ silicon with nearly the same oxygen and carbon concentrations is also carried out under the same conditions. The results reveal that the oxygen and carbon concentrations of mc-Si and CZ-Si have a lesser decrease,which means oxygen precipitates are not generated,and grain boundaries in mc-Si do not affect carbon behavior. Bulk lifetime of mc-Si increases in N2 and O2 ambient at 850,950,and 1150℃ ,and the lifetime of mc-Si wafers annealed in 02 are higher than those annealed in N2, which shows that a lot of impurities in mc-Si at high temperature annealing diffuse to grain boundaries,greatly reducing recombination centers. Interstitial Si atoms filling vacancies or recombination centers increases lifetime.展开更多
基金the National Research Foundation of Korea(Nos.2018R1A5A7023490 and 2022R1A2C1003003)。
文摘A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more homogeneously.Besides,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress mitigation.This paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.
基金supported in part by the Natural Science Foundation of Shandong Province,China (Grant No.ZR2023ME073)the National Natural Science Foundation of China (Grant No.51805304)+1 种基金the Education Department of Shandong Province,China (Grant No.2022KJ130)Qilu University of Technology (Shandong Academy of Sciences),China (Grant Nos.2023PY009,2021JC02008 and 2022GH005)。
文摘Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a large irradiation spot simultaneously generated ultrasonic longitudinal and shear waves at the epicenter under the slight ablation regime.An optimized denoising technique based on wavelet thresholding and variational mode decomposition was applied to reduce noise in shear waves with a low signal-to-noise ratio.An approach for characterizing grain size was proposed using spectral central frequency ratio(SCFR)based on time-frequency analysis.The results demonstrate that the generation regime of ultrasonic waves is not solely determined by the laser power density;even at high power densities,a high energy with a large spot can generate an ultrasonic waveform dominated by the thermoelastic effect.This is ascribed to the intensification of the thermoelastic effect with the proportional increase in laser irradiation spot area for a given laser power density.Furthermore,both longitudinal and shear wave SCFRs are linearly related to grain size in polycrystalline materials;however,the shear wave SCFR is more sensitive to finer-grained materials.This study holds great significance for evaluating metal material properties using laser ultrasound.
基金National Natural Science Foundation of China(U19B2003,21706177,21975174)Foundation Supported by China Petroleum&Chemical Corporation(121014-2)。
文摘Synthesis of ZSM-5 zeolite typically utilizes small molecule polyamines or quaternary ammonium salts as organic structure guiding agent(OSDA).By contrast,the OSDA-free hydrothermal synthesis system eliminates the use of organic templates and the subsequent calcination procedure.This not only reduces the cost of synthesis,but also prevents environmental pollution from the combustion of organic templates,representing an eco-friendly approach.Despite this,literature suggests that even so-called template-free synthesis systems often involve trace amount of organic substances like alcohol.In the present work,a calcined commercial ZSM-5 zeolite was served as seed,with sodium aluminate as aluminum source and silica sol as silicon source,ensuring an entirely template-free synthesis system.Polycrystalline ZSM-5 aggregates consisted of rod-like nanocrystals were successfully prepared in the completely OSDA-free system.Effects of the Si/Al ratio in ZSM-5 seed,dosage and crystallization conditions such as crystallization temperature and crystallization time on ZSM-5 synthesis were investigated.The results show that a highly crystallinity ZSM-5 aggregate consisting of primary nano-sized crystals less than 100 nm is produced from a gel precursor with 5.6%(in mass)seed after hydrothermal treatment for 48 h.Furthermore,the Si/Al ratio in ZSM-5 seed has little effect on the topological structure and pore structure of the synthesized samples.However,the seeds with a low Si/Al ratio facilitate faster crystallization of zeolite and enhance the acidity,especially the strong acid centers,of the catalyst.The catalytic performance of the synthesized polycrystalline ZSM-5 was evaluated during dehydration of methanol and compared with a commercial reference ZSM-5r.The results exhibit that as compared with the reference catalyst,the fabricated sample has a longer catalytic lifetime(16 h vs 8 h)attributed to its hierarchical pores derived from the loosely packed primary nanoparticles.Additionally,the prepared polycrystalline catalyst also exhibits a higher aromatics selectivity(28.1%-29.8%vs 26.5%).
基金supported by the National Natural Science Foundation of China(Grant Nos.12304033,12072328,and 11991073).
文摘Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction technique.It is suggested that polycrystalline iron changes from an initial body-centered cubic structure to a hexagonal close-packed structure with increasing pressure(i.e.,a phase transition fromαtoε).The relationship between density and pressure for polycrystalline iron obtained from the present experiments is found to be in good agreement with the gas-gun Hugoniot data.Our results show that experiments with samples at lower temperatures under static loading,such as in a diamond anvil cell,lead to higher densities measured than those found under dynamic loading.This means that extrapolating results of static experiments may not predict the dynamic responses of materials accurately.In addition,neither the face-centered cubic structure seen in previous molecular-dynamics simulations or twophase coexistence are found within our experimental pressure range.
基金National Natural Science Foundation of China(Nos.52175430,51935008 and 52105478)China National Postdoctoral Program for Innovative Talents(BX20200234)Open Fund of Tianjin Key Laboratory of Equipment Design and Manufacturing Technology(EDMT)for the support of this work。
文摘Polycrystalline materials are extensively employed in industry.Its surface roughness significantly affects the working performance.Material defects,particularly grain boundaries,have a great impact on the achieved surface roughness of polycrystalline materials.However,it is difficult to establish a purely theoretical model for surface roughness with consideration of the grain boundary effect using conventional analytical methods.In this work,a theoretical and deep learning hybrid model for predicting the surface roughness of diamond-turned polycrystalline materials is proposed.The kinematic–dynamic roughness component in relation to the tool profile duplication effect,work material plastic side flow,relative vibration between the diamond tool and workpiece,etc,is theoretically calculated.The material-defect roughness component is modeled with a cascade forward neural network.In the neural network,the ratio of maximum undeformed chip thickness to cutting edge radius RT S,work material properties(misorientation angle θ_(g) and grain size d_(g)),and spindle rotation speed n s are configured as input variables.The material-defect roughness component is set as the output variable.To validate the developed model,polycrystalline copper with a gradient distribution of grains prepared by friction stir processing is machined with various processing parameters and different diamond tools.Compared with the previously developed model,obvious improvement in the prediction accuracy is observed with this hybrid prediction model.Based on this model,the influences of different factors on the surface roughness of polycrystalline materials are discussed.The influencing mechanism of the misorientation angle and grain size is quantitatively analyzed.Two fracture modes,including transcrystalline and intercrystalline fractures at different RTS values,are observed.Meanwhile,optimal processing parameters are obtained with a simulated annealing algorithm.Cutting experiments are performed with the optimal parameters,and a flat surface finish with Sa 1.314 nm is finally achieved.The developed model and corresponding new findings in this work are beneficial for accurately predicting the surface roughness of polycrystalline materials and understanding the impacting mechanism of material defects in diamond turning.
文摘Oxygen and carbon behaviors and minority-carrier lifetimes in multi-crystalline silicon （mc-Si） used for solar cells are investigated by FTIR and QSSPCD before and after annealing at 750～ 1150℃ in N2 and O2 ambient. For comparison, the annealing of CZ silicon with nearly the same oxygen and carbon concentrations is also carried out under the same conditions. The results reveal that the oxygen and carbon concentrations of mc-Si and CZ-Si have a lesser decrease,which means oxygen precipitates are not generated,and grain boundaries in mc-Si do not affect carbon behavior. Bulk lifetime of mc-Si increases in N2 and O2 ambient at 850,950,and 1150℃ ,and the lifetime of mc-Si wafers annealed in 02 are higher than those annealed in N2, which shows that a lot of impurities in mc-Si at high temperature annealing diffuse to grain boundaries,greatly reducing recombination centers. Interstitial Si atoms filling vacancies or recombination centers increases lifetime.
