Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction...Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.展开更多
According to the Fick＇s second law of diffusion, six analytical solutions of chloride profile in concrete were studied and discussed with regard to different boundary and initial conditions. In those analytical solut...According to the Fick＇s second law of diffusion, six analytical solutions of chloride profile in concrete were studied and discussed with regard to different boundary and initial conditions. In those analytical solutions, the most prevailing error-function solution which is based on semi-infinite assumption is the simple one, but may under-estimate the chloride content in concrete and over-rate the life time prediction of concrete structures. The experimental results show that compared with other solutions, the chloride content in concrete predicted by error-function model is the minimum, and the calculation difference produced by different analytical models should not be ignored. The influence of models on chloride content prediction is more than other environment and material coefficients in some time. In order to get a more realistic prediction model, modification to error-function model is suggested based on analysis and calculation examples concerning the boundary and edge effect.展开更多
A state-of-art review is given to the new advances on fatigue reliability design and analysis methods of Chinese railway vehicle's structures.First,the structures are subject to a complicated random fatigue stress...A state-of-art review is given to the new advances on fatigue reliability design and analysis methods of Chinese railway vehicle's structures.First,the structures are subject to a complicated random fatigue stressing history and this history should be determined by combining dynamic simulation and on-line inspection.Second,the random fatigue constitutions belong to an intrinsic fatigue phenomenon and a probabilistic model is developed to well describe them with two measurements of survival probability and confidence,similar model is also presented for the random stress-life rela-tions and extrapolated appropriately into Song fatigue life regime.Third,concept of the fatigue limit should be understood as the fatigue strength at a given fatigue life and a so-called local Basquin model method is proposed for measuring the random strengths.In addition,drawing and application methods of the Goodman-Smith diagram for integrally characterizing the random fatigue strengths are established in terms of ten kilometers.Fourth,a reliability stress-based method is constructed with a consideration of the random constitutive relations.These new advances form a new frame work for railway fatigue reliability design and analysis.展开更多
A design-of-experiments methodology is used to develop a statistical model for the prediction of the hydrodynamics of a liquid–solid circulating fluidized bed. To illustrate the multilevel factorial design approach, ...A design-of-experiments methodology is used to develop a statistical model for the prediction of the hydrodynamics of a liquid–solid circulating fluidized bed. To illustrate the multilevel factorial design approach, a step by step methodology is taken to study the effects of the interactions among the independent factors considered on the performance variables. A multilevel full factorial design with three levels of the two factors and five levels of the third factor has been studied. Various statistical models such as the linear, two-factor interaction, quadratic, and cubic models are tested. The model has been developed to predict responses, viz., average solids holdup and solids circulation rate. The validity of the developed regression model is verified using the analysis of variance. Furthermore, the model developed was compared with an experimental dataset to assess its adequacy and reliability. This detailed statistical design methodology for non-linear systems considered here provides a very important tool for design and optimization in a cost-effective approach展开更多
Topological materials are a new and rapidly expanding class of quantum matter. To date, identification of the topological nature of a given compound material demands specific determination of the appropriate topologic...Topological materials are a new and rapidly expanding class of quantum matter. To date, identification of the topological nature of a given compound material demands specific determination of the appropriate topological invariant through detailed electronic structure calculations. Here we present an efficient criterion that allows ready screening of potential topological materials, using topological insulators as prototypical examples. The criterion is inherently tied to the band inversion induced by spin-orbit coupling,and is uniquely defined by a minimal number of two elemental physical properties of the constituent elements: the atomic number and Pauling electronegativity. The validity and predictive power of the criterion is demonstrated by rationalizing many known topological insulators and potential candidates in the tetradymite and half-Heusler families, and the underlying design principle is naturally also extendable to predictive discoveries of other classes of topological materials.展开更多
In this paper, a novel engineering platform for throughflow analysis based on streamline curvature approach is developed for the research of a 5-stage compressor. The method includes several types of improved loss and...In this paper, a novel engineering platform for throughflow analysis based on streamline curvature approach is developed for the research of a 5-stage compressor. The method includes several types of improved loss and deviation angle models, which are combined with the authors' adjustments for the purpose of reflecting the influences of three-dimensional internal flow in high-loaded multistage compressors with higher accuracy. In order to validate the reliability and robustness of the method, a series of test cases, including a subsonic compressor P&W 3S1, a transonic rotor NASA Rotor 1B and especially an advanced high pressure core compressor GE E^3 HPC, are conducted. Then the computation procedure is applied to the research of a 5-stage compressor which is designed for developing an industrial gas turbine. The overall performance and aerodynamic configuration predicted by the procedure, both at design- and part-speed conditions, are analyzed and compared with experimental results, which show a good agreement. Further discussion regarding the universality of the method compared with CFD is made afterwards. The throughflow method is verified as a reliable and convenient tool for aerodynamic design and performance prediction of modern high-loaded compressors. This method is also qualified for use in the further optimization of the 5-stage compressor.展开更多
The catalytic coordinate is essentially the evolving frontier orbital interaction while feeding with catalytic materials and adsorbates under proper reaction conditions.The heterogeneous catalytic reaction mechanism i...The catalytic coordinate is essentially the evolving frontier orbital interaction while feeding with catalytic materials and adsorbates under proper reaction conditions.The heterogeneous catalytic reaction mechanism involves the initial adsorption and activation of reactants,subsequent intermediate transformation,final target product desorption,and regeneration of catalytic materials.In these catalytic processes,interaction modulations in terms of orbital hybridization/coupling allow an intrinsic control on both thermodynamics and kinetics.Concerned charge transfer and redistribution,orbital splitting and rearrangement with specific orientation,and spin change and crossover pose a formidable challenge on mechanism elucidation;it is hard to precisely correlate the apparent activity and selectivity,let alone rational modulations on it.Therefore,deciphering the orbital couplings inside a catalytic round is highly desirable and the dependent descriptor further provides in-depth insights into catalyst design at the molecule orbital level.This review hopes to provide a comprehensive understanding on orbital hybridizations,modulations,and correlated descriptors in heterogeneous catalysis.展开更多
基金S.G.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 52272144,51972076)the Heilongjiang Provincial Natural Science Foundation of China(JQ2022E001)+4 种基金the Natural Science Foundation of Shandong Province(ZR2020ZD42)the Fundamental Research Funds for the Central Universities.H.D.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 22205048)China Postdoctoral Science Foundation(2022M710931 and 2023T160154)Heilongjiang Postdoctoral Science Foundation(LBH-Z22010)G.Y.acknowledges the financial support from the National Science Foundation of Heilongjiang Education Department(324022075).
文摘Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.
基金Funded by the National Key Technology R&D Program(No.2011BAG07B04)
文摘According to the Fick＇s second law of diffusion, six analytical solutions of chloride profile in concrete were studied and discussed with regard to different boundary and initial conditions. In those analytical solutions, the most prevailing error-function solution which is based on semi-infinite assumption is the simple one, but may under-estimate the chloride content in concrete and over-rate the life time prediction of concrete structures. The experimental results show that compared with other solutions, the chloride content in concrete predicted by error-function model is the minimum, and the calculation difference produced by different analytical models should not be ignored. The influence of models on chloride content prediction is more than other environment and material coefficients in some time. In order to get a more realistic prediction model, modification to error-function model is suggested based on analysis and calculation examples concerning the boundary and edge effect.
基金Selected from Proceedings of the 7th International Conference on Frontiers of Design and Manufacturing(ICFDM'2006)This project is supported by National Natural Science Foundation of China(No.50375130,No.50575189)+1 种基金Foundation for the Author of National Excellent Doctoral Dissertation of China(No.2002034)Program for New Century Excellent Talents in University,China(No.040890).
文摘A state-of-art review is given to the new advances on fatigue reliability design and analysis methods of Chinese railway vehicle's structures.First,the structures are subject to a complicated random fatigue stressing history and this history should be determined by combining dynamic simulation and on-line inspection.Second,the random fatigue constitutions belong to an intrinsic fatigue phenomenon and a probabilistic model is developed to well describe them with two measurements of survival probability and confidence,similar model is also presented for the random stress-life rela-tions and extrapolated appropriately into Song fatigue life regime.Third,concept of the fatigue limit should be understood as the fatigue strength at a given fatigue life and a so-called local Basquin model method is proposed for measuring the random strengths.In addition,drawing and application methods of the Goodman-Smith diagram for integrally characterizing the random fatigue strengths are established in terms of ten kilometers.Fourth,a reliability stress-based method is constructed with a consideration of the random constitutive relations.These new advances form a new frame work for railway fatigue reliability design and analysis.
文摘A design-of-experiments methodology is used to develop a statistical model for the prediction of the hydrodynamics of a liquid–solid circulating fluidized bed. To illustrate the multilevel factorial design approach, a step by step methodology is taken to study the effects of the interactions among the independent factors considered on the performance variables. A multilevel full factorial design with three levels of the two factors and five levels of the third factor has been studied. Various statistical models such as the linear, two-factor interaction, quadratic, and cubic models are tested. The model has been developed to predict responses, viz., average solids holdup and solids circulation rate. The validity of the developed regression model is verified using the analysis of variance. Furthermore, the model developed was compared with an experimental dataset to assess its adequacy and reliability. This detailed statistical design methodology for non-linear systems considered here provides a very important tool for design and optimization in a cost-effective approach
基金financial support from the National Natural Science Foundation of China (11574236, 51671193, and 61434002)support from the National Science Fund for Distinguished Young Scholars (No. 51725103)
文摘Topological materials are a new and rapidly expanding class of quantum matter. To date, identification of the topological nature of a given compound material demands specific determination of the appropriate topological invariant through detailed electronic structure calculations. Here we present an efficient criterion that allows ready screening of potential topological materials, using topological insulators as prototypical examples. The criterion is inherently tied to the band inversion induced by spin-orbit coupling,and is uniquely defined by a minimal number of two elemental physical properties of the constituent elements: the atomic number and Pauling electronegativity. The validity and predictive power of the criterion is demonstrated by rationalizing many known topological insulators and potential candidates in the tetradymite and half-Heusler families, and the underlying design principle is naturally also extendable to predictive discoveries of other classes of topological materials.
基金supported by SEDRIand the National Natural Science Foundation of China(Grant No.51136003)
文摘In this paper, a novel engineering platform for throughflow analysis based on streamline curvature approach is developed for the research of a 5-stage compressor. The method includes several types of improved loss and deviation angle models, which are combined with the authors' adjustments for the purpose of reflecting the influences of three-dimensional internal flow in high-loaded multistage compressors with higher accuracy. In order to validate the reliability and robustness of the method, a series of test cases, including a subsonic compressor P&W 3S1, a transonic rotor NASA Rotor 1B and especially an advanced high pressure core compressor GE E^3 HPC, are conducted. Then the computation procedure is applied to the research of a 5-stage compressor which is designed for developing an industrial gas turbine. The overall performance and aerodynamic configuration predicted by the procedure, both at design- and part-speed conditions, are analyzed and compared with experimental results, which show a good agreement. Further discussion regarding the universality of the method compared with CFD is made afterwards. The throughflow method is verified as a reliable and convenient tool for aerodynamic design and performance prediction of modern high-loaded compressors. This method is also qualified for use in the further optimization of the 5-stage compressor.
基金Sichuan Science and Technology Program,Grant/Award Numbers:2022ZYD0039,2022NSFSC1213,2023NSFSC1069National Natural Science Foundation of China,Grant/Award Number:22272019。
文摘The catalytic coordinate is essentially the evolving frontier orbital interaction while feeding with catalytic materials and adsorbates under proper reaction conditions.The heterogeneous catalytic reaction mechanism involves the initial adsorption and activation of reactants,subsequent intermediate transformation,final target product desorption,and regeneration of catalytic materials.In these catalytic processes,interaction modulations in terms of orbital hybridization/coupling allow an intrinsic control on both thermodynamics and kinetics.Concerned charge transfer and redistribution,orbital splitting and rearrangement with specific orientation,and spin change and crossover pose a formidable challenge on mechanism elucidation;it is hard to precisely correlate the apparent activity and selectivity,let alone rational modulations on it.Therefore,deciphering the orbital couplings inside a catalytic round is highly desirable and the dependent descriptor further provides in-depth insights into catalyst design at the molecule orbital level.This review hopes to provide a comprehensive understanding on orbital hybridizations,modulations,and correlated descriptors in heterogeneous catalysis.
