The atomic size of each element, described by the ionic radius, is one category of "material genes" and can facilitate our understanding of atomic arrangements in compounds. Most of the ionic radii currently...The atomic size of each element, described by the ionic radius, is one category of "material genes" and can facilitate our understanding of atomic arrangements in compounds. Most of the ionic radii currently used to measure the sizes of cations and anions in ionic crystals are derived from hard-sphere model based on the coordination numbers, or the soft-sphere model incorporating the effect of ionic polarization. Herein we take a first step towards a novel "effective atomic size"(EAS) model,which takes into consideration the impact of the types and number of neighboring atoms on the relationship between ionic radii and interatomic distances. Taking the binary compounds between Group IA/IIA and VIA/VIIA elements gathered from the latest databases as an example, we show that the proposed EAS model can yield excellent agreement between the predicted and the DFT-calculated interatomic distances, with deviation of less than 0.1 ?. A set of EAS radii for ionic crystals has been compiled and the role of coordination numbers, geometric symmetry and distortion of structural units has been examined. Thanks to its superior predictability, the EAS model can serve as a foundation to analyze the structure of newly-discovered compounds and to accelerate materials screening processes in the future works.展开更多
Size reduction can generally enhance the surface reactivity of inorganic nanomaterials.The origin of this nano-effect has been ascribed to ultrasmall size,large specific surface area,or abundant defects,but the most i...Size reduction can generally enhance the surface reactivity of inorganic nanomaterials.The origin of this nano-effect has been ascribed to ultrasmall size,large specific surface area,or abundant defects,but the most intrinsic electronic-level principles are still not fully understood yet.By combining experimental explorations and mathematical modeling,herein we propose an electronic-level model to reveal the physicochemical nature of size-dependent nanomaterial surface reactivity.Experimentally,we reveal that competitive redistribution of surface atomic orbitals from extended energy band states into localized surface chemical bonds is the critical electronic process of surface chemical interactions,using H_(2)O_(2)-TiO_(2)chemisorption as a model reaction.Theoretically,we define a concept,orbital potential(G),to describe the electronic feature determining the tendency of orbital redistribution,and deduce a mathematical model to reveal how size modulates surface reactivity.We expose the dual roles of size reduction in enhancing nanomaterial surface reactivity-inversely correlating to orbital potential and amplifying the effects of other structural factors on surface reactivity.展开更多
Crushing characteristics of single particles are the basis of granular material simulation with discrete element method(DEM).To improve the universality and precision of crushable DEM model,inhomogeneous stiffness and...Crushing characteristics of single particles are the basis of granular material simulation with discrete element method(DEM).To improve the universality and precision of crushable DEM model,inhomogeneous stiffness and strength properties are introduced into the bonded particle method,with which the Weibull distribution and size effect of particle strength can be reproduced without deleting elementary balls.The issues of particle strength and carrying capacity under complex contact conditions are investigated in this work by symmetric loading tests,asymmetric loading tests,and ball-ball loading tests.Results of numerical experiments indicate that particle carrying capacity is significantly influenced by coordination numbers,the symmetry of contact points,as well as the relative size of its neighbors.Contact conditions also show impact on single-particle crushing categories and the origin position of inner particle cracks.The existing stress indexes and assumptions of particle crushing criterion are proved to be inappropriate for general loading cases.Both the inherent inhomogeneity and contact conditions of particles should be taken into consideration in the simulation of granular materials.展开更多
Studies on breeding biology enable us to broaden our understanding of the evolution of life history strategies.We studied the breeding biology of the Green-backed Tit(Parus monticolus)to provide comprehensive data on ...Studies on breeding biology enable us to broaden our understanding of the evolution of life history strategies.We studied the breeding biology of the Green-backed Tit(Parus monticolus)to provide comprehensive data on nest and egg characteristics,parental behavior throughout egg laying and nestling periods,and reproductive outcome.Our study reveals adaptive behavioral patterns and reproductive strategies for P.monticolus.展开更多
Urban resilience is an emerging research topic of urban studies, and its essence is described by the ability of cities to resist, recover, and adapt to uncertain disturbances. This paper constructs a "Size-Densit...Urban resilience is an emerging research topic of urban studies, and its essence is described by the ability of cities to resist, recover, and adapt to uncertain disturbances. This paper constructs a "Size-Density-Morphology" urban ecological resilience evaluation system, uses a coupling coordination degree model to measure the degree of coupling coordination between urbanization and ecological resilience in the Pearl River Delta from 2000 to 2015, and conducts an in-depth discussion on its spatiotemporal characteristics. The results show the following.(1) From 2000 to 2015, the urbanization level of cities in the study area generally increased while the level of ecological resilience declined. The coupling coordination degree between the two systems decreased from basic coordination to basic imbalance.(2) In terms of spatial distribution, the coupling coordination degree between urbanization and ecological resilience of cities presented a circular pattern that centered on the cities at the estuary of the Pearl River and increased toward the periphery.(3) Ecological resilience sub-systems played variable roles in the coupling coordination between urbanization and ecological resilience. Specifically, size resilience mainly played a reverse blocking role;the influence of morphology resilience was generally positive and continued to increase over time;the effect of density resilience was positive and continued to decline and further became negative after falling below zero. The main pathways for achieving coordinated and sustainable development of future urbanization and ecological resilience in the Pearl River Delta include: leading the coordinated development of regions with new urbanization, improving ecological resilience by strictly observing the three areas and three lines, adapting to ecological carrying capacity, and rationally arranging urban green spaces.展开更多
Discrete element modeling was used to investigate the effect of particle size distribution on the small strain shear stiffness of granular soils and explore the fundamental mechanism controlling this small strain shea...Discrete element modeling was used to investigate the effect of particle size distribution on the small strain shear stiffness of granular soils and explore the fundamental mechanism controlling this small strain shear stiffness at the particle level. The results indicate that the mean particle size has a negligible effect on the small strain shear modulus. The observed increase of the shear modulus with increasing particle size is caused by a scale effect. It is suggested that the ratio of sample size to the mean particle size should be larger than 11.5 to avoid this possible scale effect. At the same confining pressure and void ratio, the small strain shear modulus decreases as the coefficient of uniformity of the soil increases. The Poisson＇s ratio decreases with decreasing void ratio and increasing confining pressure instead of being constant as is commonly assumed. Microscopic analyses indicate that the small strain shear stiffness and Poisson＇s ratio depend uniquely on the soil＇s coordination number.展开更多
基金supported by the National Key R&D Program of China(Grant No.2016YFB0700600)the Shenzhen Science and Technology Research(Grant No.ZDSYS201707281026184)the Guangdong Key-Lab Project(Grant No.2017B0303010130)
文摘The atomic size of each element, described by the ionic radius, is one category of "material genes" and can facilitate our understanding of atomic arrangements in compounds. Most of the ionic radii currently used to measure the sizes of cations and anions in ionic crystals are derived from hard-sphere model based on the coordination numbers, or the soft-sphere model incorporating the effect of ionic polarization. Herein we take a first step towards a novel "effective atomic size"(EAS) model,which takes into consideration the impact of the types and number of neighboring atoms on the relationship between ionic radii and interatomic distances. Taking the binary compounds between Group IA/IIA and VIA/VIIA elements gathered from the latest databases as an example, we show that the proposed EAS model can yield excellent agreement between the predicted and the DFT-calculated interatomic distances, with deviation of less than 0.1 ?. A set of EAS radii for ionic crystals has been compiled and the role of coordination numbers, geometric symmetry and distortion of structural units has been examined. Thanks to its superior predictability, the EAS model can serve as a foundation to analyze the structure of newly-discovered compounds and to accelerate materials screening processes in the future works.
基金This research was supported by the National Natural Science Foundation of China(No.21801012).
文摘Size reduction can generally enhance the surface reactivity of inorganic nanomaterials.The origin of this nano-effect has been ascribed to ultrasmall size,large specific surface area,or abundant defects,but the most intrinsic electronic-level principles are still not fully understood yet.By combining experimental explorations and mathematical modeling,herein we propose an electronic-level model to reveal the physicochemical nature of size-dependent nanomaterial surface reactivity.Experimentally,we reveal that competitive redistribution of surface atomic orbitals from extended energy band states into localized surface chemical bonds is the critical electronic process of surface chemical interactions,using H_(2)O_(2)-TiO_(2)chemisorption as a model reaction.Theoretically,we define a concept,orbital potential(G),to describe the electronic feature determining the tendency of orbital redistribution,and deduce a mathematical model to reveal how size modulates surface reactivity.We expose the dual roles of size reduction in enhancing nanomaterial surface reactivity-inversely correlating to orbital potential and amplifying the effects of other structural factors on surface reactivity.
基金the National Natural Science Foundation of China(No.11772117)for financial support.
文摘Crushing characteristics of single particles are the basis of granular material simulation with discrete element method(DEM).To improve the universality and precision of crushable DEM model,inhomogeneous stiffness and strength properties are introduced into the bonded particle method,with which the Weibull distribution and size effect of particle strength can be reproduced without deleting elementary balls.The issues of particle strength and carrying capacity under complex contact conditions are investigated in this work by symmetric loading tests,asymmetric loading tests,and ball-ball loading tests.Results of numerical experiments indicate that particle carrying capacity is significantly influenced by coordination numbers,the symmetry of contact points,as well as the relative size of its neighbors.Contact conditions also show impact on single-particle crushing categories and the origin position of inner particle cracks.The existing stress indexes and assumptions of particle crushing criterion are proved to be inappropriate for general loading cases.Both the inherent inhomogeneity and contact conditions of particles should be taken into consideration in the simulation of granular materials.
基金provided by Hainan Provincial Natural Science Foundation of China(320CXTD437 and 2019RC189 to CY)National Natural Science Foundation of China(31672303 to CY)Hainan Provincial Innovative Research Program for Graduates(Hyb2020-48 to PY)。
文摘Studies on breeding biology enable us to broaden our understanding of the evolution of life history strategies.We studied the breeding biology of the Green-backed Tit(Parus monticolus)to provide comprehensive data on nest and egg characteristics,parental behavior throughout egg laying and nestling periods,and reproductive outcome.Our study reveals adaptive behavioral patterns and reproductive strategies for P.monticolus.
基金Ministry of Education Humanities Social Sciences Research Project,No.21YJAZH087Guangdong Special Support ProgramPearl River S&T Nova Program of Guangzhou,No.201806010187。
文摘Urban resilience is an emerging research topic of urban studies, and its essence is described by the ability of cities to resist, recover, and adapt to uncertain disturbances. This paper constructs a "Size-Density-Morphology" urban ecological resilience evaluation system, uses a coupling coordination degree model to measure the degree of coupling coordination between urbanization and ecological resilience in the Pearl River Delta from 2000 to 2015, and conducts an in-depth discussion on its spatiotemporal characteristics. The results show the following.(1) From 2000 to 2015, the urbanization level of cities in the study area generally increased while the level of ecological resilience declined. The coupling coordination degree between the two systems decreased from basic coordination to basic imbalance.(2) In terms of spatial distribution, the coupling coordination degree between urbanization and ecological resilience of cities presented a circular pattern that centered on the cities at the estuary of the Pearl River and increased toward the periphery.(3) Ecological resilience sub-systems played variable roles in the coupling coordination between urbanization and ecological resilience. Specifically, size resilience mainly played a reverse blocking role;the influence of morphology resilience was generally positive and continued to increase over time;the effect of density resilience was positive and continued to decline and further became negative after falling below zero. The main pathways for achieving coordinated and sustainable development of future urbanization and ecological resilience in the Pearl River Delta include: leading the coordinated development of regions with new urbanization, improving ecological resilience by strictly observing the three areas and three lines, adapting to ecological carrying capacity, and rationally arranging urban green spaces.
基金The work presented in this paper was supported by the National Natural Science Foundation of China （Grant Nos. 51308408, 41272291,51238009） and the Fundamental Research Funds for the Central Universities, and the Open Foundation of State Key Labo- ratory of Hydrology-Water Resources and Hydraulic Engineering （Grant No. 2014492311 ）.
文摘Discrete element modeling was used to investigate the effect of particle size distribution on the small strain shear stiffness of granular soils and explore the fundamental mechanism controlling this small strain shear stiffness at the particle level. The results indicate that the mean particle size has a negligible effect on the small strain shear modulus. The observed increase of the shear modulus with increasing particle size is caused by a scale effect. It is suggested that the ratio of sample size to the mean particle size should be larger than 11.5 to avoid this possible scale effect. At the same confining pressure and void ratio, the small strain shear modulus decreases as the coefficient of uniformity of the soil increases. The Poisson＇s ratio decreases with decreasing void ratio and increasing confining pressure instead of being constant as is commonly assumed. Microscopic analyses indicate that the small strain shear stiffness and Poisson＇s ratio depend uniquely on the soil＇s coordination number.
