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Electronic Structure Research on Lattice Stability of V, Nb, and Ta by Density Functional Theory
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作者 陶辉锦 万芳铭 陈伟民 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第1期69-72,I0002,共5页
The difference of energy and electronic structure of V, Nb, and Ta in different crystalline structures were investigated by different methods in density functional theory (DFT). Lattice constants, total energies, an... The difference of energy and electronic structure of V, Nb, and Ta in different crystalline structures were investigated by different methods in density functional theory (DFT). Lattice constants, total energies, and densities of states of these metals were calculated using the plane-wave pseudopotential method in DFT. Results were compared with those of projector augmented wave method, CALPHAD method, and experiments. Total energy and electronic structure analyses showed that valence electrons mostly transferred from s to p or d state, changing obviously with both the crystal structure and the elemental period number from V to Ta and leading to stronger cohesion, higher cohesive energy and more stable lattice of heavier metals. 展开更多
关键词 V NB TA Lattice stability Density functional theory
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Tailoring MXene Thickness and Functionalization for Enhanced Room‑Temperature Trace NO_(2) Sensing 被引量:4
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作者 Muhammad Hilal Woochul Yang +1 位作者 Yongha Hwang Wanfeng Xie 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第5期71-86,共16页
In this study,precise control over the thickness and termination of Ti3C2TX MXene flakes is achieved to enhance their electrical properties,environmental stability,and gas-sensing performance.Utilizing a hybrid method... In this study,precise control over the thickness and termination of Ti3C2TX MXene flakes is achieved to enhance their electrical properties,environmental stability,and gas-sensing performance.Utilizing a hybrid method involving high-pressure processing,stirring,and immiscible solutions,sub-100 nm MXene flake thickness is achieved within the MXene film on the Si-wafer.Functionalization control is achieved by defunctionalizing MXene at 650℃ under vacuum and H2 gas in a CVD furnace,followed by refunctionalization with iodine and bromine vaporization from a bubbler attached to the CVD.Notably,the introduction of iodine,which has a larger atomic size,lower electronegativity,reduce shielding effect,and lower hydrophilicity(contact angle:99°),profoundly affecting MXene.It improves the surface area(36.2 cm^(2) g^(-1)),oxidation stability in aqueous/ambient environments(21 days/80 days),and film conductivity(749 S m^(-1)).Additionally,it significantly enhances the gas-sensing performance,including the sensitivity(0.1119Ωppm^(-1)),response(0.2% and 23%to 50 ppb and 200 ppm NO_(2)),and response/recovery times(90/100 s).The reduced shielding effect of the–I-terminals and the metallic characteristics of MXene enhance the selectivity of I-MXene toward NO2.This approach paves the way for the development of stable and high-performance gas-sensing two-dimensional materials with promising prospects for future studies. 展开更多
关键词 Controlled MXene thickness Gaseous functionalization approach Lower electronegativity functional groups Enhanced MXene stability Trace NO_(2)sensing
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Density Functional Study on Structures and Relative Stability of Gd(H2O)n^3+ (n=8,9)
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作者 肖伟 夏琼琼 +2 位作者 章永凡 宁利新 崔执凤 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2009年第4期395-400,448,共7页
Density functional theory calculations were performed to study the structures and relative stability of the gadolinium complexes, Gd(H2O)n^3+ (n=8,9), in vacuo and in aqueous solution. The polarizable continuum m... Density functional theory calculations were performed to study the structures and relative stability of the gadolinium complexes, Gd(H2O)n^3+ (n=8,9), in vacuo and in aqueous solution. The polarizable continuum model with various radii for the solute cavity was used to study the relative stability in aqueous solution. The calculated molecular geometries for n=8 and 9 obtained in vacuo are consistent with those observed in experiments. It was found that while the nona-aqua complex is favored in the gas phase, in aqueous solution the octa-aqua conformation is preferred. This result, independent of the types of cavities employed, is in agreement with the experimental observation. The reliability of the present calculation was also addressed by comparing the calculated and experimental free energy of hydration, which revealed that the UA0, UAHF, and UAKS cavities are most appropriate when only the first solvation shell is treated explicitly. 展开更多
关键词 Density functional theory Gadolinium hydrate Relative stability Polarizable continuum model Solute cavity
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STABILITY OF A PREDATOR-PREY SYSTEM WITH PREY TAXIS IN A GENERAL CLASS OF FUNCTIONAL RESPONSES 被引量:2
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作者 M.YOUSEFNEZHAD S.A.MOHAMMADI 《Acta Mathematica Scientia》 SCIE CSCD 2016年第1期62-72,共11页
In this paper, a diffusive predator-prey system with general functional responses and prey-tactic sensitivities is studied. Providing such generality, we construct a Lyapunov function and we show that the positive con... In this paper, a diffusive predator-prey system with general functional responses and prey-tactic sensitivities is studied. Providing such generality, we construct a Lyapunov function and we show that the positive constant steady state is locally and globally asymptotically stable. With an eye on the biological interpretations, a numerical simulation is performed to illustrate the feasibility of the analytical findings. 展开更多
关键词 PREDATOR-PREY global stability steady state Lyapunov function
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Existence of asymptotically almost periodic solutions and stability properties for functional difference equations 被引量:4
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作者 吴中华 《Journal of Chongqing University》 CAS 2012年第2期97-102,共6页
For functional difference equations with unbounded delay,we characterized the existence of totally stable and asymptotically almost periodic solution by using stability properties of a bounded solution in a certain li... For functional difference equations with unbounded delay,we characterized the existence of totally stable and asymptotically almost periodic solution by using stability properties of a bounded solution in a certain limiting equation. 展开更多
关键词 functional difference equations asymptotically almost periodic solutions total stability properties
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STABILITY OF FUNCTIONAL DIFFERENTIAL EQUATIONS WITH INFINITE DELAYS 被引量:2
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作者 LuoZhiguo ShenJianhua 《Applied Mathematics(A Journal of Chinese Universities)》 SCIE CSCD 2005年第2期142-150,共9页
In this paper,the stability of a class of impulsive functional differential equations with infinite delays is investigated.A uniform stability theorem and a uniform asymptotic stability theorem are established.
关键词 stabilITY Razumikhin technique Lyapunov function.
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Stability of a Neutral Stochastic Functional Differential Equations 被引量:2
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作者 LI Bi-wen~1,21. Department of Mathematics, Hubei Normal University, Huangshi 435002, Hubei, China 2. Department of Mathematics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China 《Wuhan University Journal of Natural Sciences》 EI CAS 2005年第6期957-960,共4页
Sufficient condition for stochastic unifrom stability of a neutral stochastic functional differential equation is given, especially, new techniques are developed to cope with the neutral delay case, we obtained the su... Sufficient condition for stochastic unifrom stability of a neutral stochastic functional differential equation is given, especially, new techniques are developed to cope with the neutral delay case, we obtained the sufficient condition for asymptotic stability of neutral stochastic differential delay equations. Due to the new techniques developed in this paper, the results obtained arc very general and useful. The theory developed here gives a unified treatment for various asymptotic estimates e.g. exponential and polynomial bounds. 展开更多
关键词 Lyapunov function D operator It's formula stochastic unifrom stabillty asymptotic stability
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Global Asymptotic Stability and Hopf Bifurcation in a Homogeneous Diffusive Predator-Prey System with Holling Type II Functional Response 被引量:3
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作者 Shuangte Wang Hengguo Yu +1 位作者 Chuanjun Dai Min Zhao 《Applied Mathematics》 2020年第5期389-406,共18页
In this paper, we considered a homogeneous reaction-diffusion predator-prey system with Holling type II functional response subject to Neumann boundary conditions. Some new sufficient conditions were analytically esta... In this paper, we considered a homogeneous reaction-diffusion predator-prey system with Holling type II functional response subject to Neumann boundary conditions. Some new sufficient conditions were analytically established to ensure that this system has globally asymptotically stable equilibria and Hopf bifurcation surrounding interior equilibrium. In the analysis of Hopf bifurcation, based on the phenomenon of Turing instability and well-done conditions, the system undergoes a Hopf bifurcation and an example incorporating with numerical simulations to support the existence of Hopf bifurcation is presented. We also derived a useful algorithm for determining direction of Hopf bifurcation and stability of bifurcating periodic solutions correspond to j &#8800;0 and j = 0, respectively. Finally, all these theoretical results are expected to be useful in the future study of dynamical complexity of ecological environment. 展开更多
关键词 HOLLING Type II functional Response REACTION-DIFFUSION PREDATOR-PREY System Global stability TURING Instability Hopf Bifurcation
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Improved plane layout of stabilizing piles based on the piecewise function expression of the irregular driving force 被引量:3
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作者 LIU Wen-qiang LI Qun +3 位作者 LU Jian LI Chang-dong YAO Wen-min ZENG Jiang-bo 《Journal of Mountain Science》 SCIE CSCD 2018年第4期871-881,共11页
The paper presents an improved plane layout for stabilizing piles based on a proposed piecewise function expression for the irregular driving force. Based on the specific morphological characteristics of a highway lan... The paper presents an improved plane layout for stabilizing piles based on a proposed piecewise function expression for the irregular driving force. Based on the specific morphological characteristics of a highway landslide, the piecewise function is used to calculate the irregular driving force by dividing the landslide into several sub-areas.Furthermore, the reasonable layout range and pile spacing can be obtained based on the piecewise function expression of the irregular driving force and on relevant research results of the plane layout for stabilizing piles. Therefore, an improved plane layout of stabilizing piles is presented in consideration of a piecewise function expression of the irregular driving force. A highway landslide located in eastern Guizhou Province, China, is analyzed as a case study using the proposed method. The results demonstrate that the theory presented in this paper provides improved economic benefits and can reduce the requirednumber of stabilizing piles by 28.6% compared with the conventional plane layout scheme. 展开更多
关键词 Highway landslide Driving force Piecewise function stabilizing pile Plane layout
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STUDY ON DYNAMICS, STABILITY AND CONTROL OF MULTI-BODY FLEXIBLE STRUCTURE SYSTEM IN FUNCTIONAL SPACE 被引量:1
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作者 XU Jian-guo(徐建国) +1 位作者 JIA Jun-guo(贾军国) 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2001年第12期1410-1421,共12页
The dynamics, stability and control problem of a kind of infinite dimensional system are studied in the functional space with the method of modern Mathematics. First, the dynamical control model of the distributed par... The dynamics, stability and control problem of a kind of infinite dimensional system are studied in the functional space with the method of modern Mathematics. First, the dynamical control model of the distributed parameter system with multi-body flexible and multi-topological structure was established which has damping, gyroscopic parts and constrained damping. Secondly, the necessary and sufficient condition of controllability and observability, the stability theory and asymptotic property of the system were obtained. These results expand the theory of the field about the dynamics and control of the system with multi-body flexible structure, and have important engineering significance. 展开更多
关键词 multi-body flexible system DYNAMICS stabilITY CONTROL functional space
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Asymptotic stability for impulsive functional differential equations 被引量:1
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作者 罗治国 罗艳 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2009年第10期1317-1324,共8页
In this paper, we investigate the stability of a class of impulsive functional differential equations by using Lyapunov functional and Jensen's inequality. Some new stability theorems are obtained. Examples are given... In this paper, we investigate the stability of a class of impulsive functional differential equations by using Lyapunov functional and Jensen's inequality. Some new stability theorems are obtained. Examples are given to demonstrate the advantage of the obtained results. 展开更多
关键词 stabilITY impulsive functional differential equation Lyapunov functional Jensen's inequality
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Oasis Functional Stability Evaluation Based on Multiple Indicators, Northwest China 被引量:3
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作者 LI Sen ZHANG Zhishan +2 位作者 WANG Tao YAN Changzhen DU Heqiang 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2020年第3期624-636,共13页
We produced and analyzed oasis structure information, and evaluated oasis functional stability using the multiple indicators based on Remote Sensing(RS) and Geographical Information System(GIS) in the arid region of C... We produced and analyzed oasis structure information, and evaluated oasis functional stability using the multiple indicators based on Remote Sensing(RS) and Geographical Information System(GIS) in the arid region of China in 2015. The results showed that the oases area was 193,734 km^2, accounting for 8.17% of the arid region of China. The spatial difference in the functional stability of oases was obvious. The Beijiang zone had the highest functional stability and was relatively stable state, and the Hexi Corridor-Alashan Plateau zone had the lowest functional stability and was relatively unstable. The functional stability is dominated by production and ecological functions, which have regional differences. Increasing oasis agricultural output, strengthening highway infrastructure construction and paying attention to education will become important ways to improve oasis functional stability. Water resources determine the ecological function, thus affecting the oasis functional stability. The results provide references for the formulation of related policies according to local conditions. 展开更多
关键词 oasis land cover oasis function stability remote sensing arid regions of China
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Relaxed Stability Criteria for Time-Delay Systems:A Novel Quadratic Function Convex Approximation Approach
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作者 Shenquan Wang Wenchengyu Ji +2 位作者 Yulian Jiang Yanzheng Zhu Jian Sun 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2024年第4期996-1006,共11页
This paper develops a quadratic function convex approximation approach to deal with the negative definite problem of the quadratic function induced by stability analysis of linear systems with time-varying delays.By i... This paper develops a quadratic function convex approximation approach to deal with the negative definite problem of the quadratic function induced by stability analysis of linear systems with time-varying delays.By introducing two adjustable parameters and two free variables,a novel convex function greater than or equal to the quadratic function is constructed,regardless of the sign of the coefficient in the quadratic term.The developed lemma can also be degenerated into the existing quadratic function negative-determination(QFND)lemma and relaxed QFND lemma respectively,by setting two adjustable parameters and two free variables as some particular values.Moreover,for a linear system with time-varying delays,a relaxed stability criterion is established via our developed lemma,together with the quivalent reciprocal combination technique and the Bessel-Legendre inequality.As a result,the conservatism can be reduced via the proposed approach in the context of constructing Lyapunov-Krasovskii functionals for the stability analysis of linear time-varying delay systems.Finally,the superiority of our results is illustrated through three numerical examples. 展开更多
关键词 Equivalent reciprocal combination technique quadratic function convex approximation approach stabilITY timevarying delay
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Three-in-one LaNiO_(3) functionalized separator boosting electrochemical stability and redox kinetics for high-performance Li-S battery 被引量:2
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作者 Weiyu Wang Mingxiu Hou +6 位作者 Fangqian Han Di Yu Jie Liu Qian Zhang Fengli Yu Lei Wang Maoshuai He 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第7期581-591,I0013,共12页
The lithium-sulfur(Li-S)battery,as one of the energy storage devices,has been in the limelight due to its high theoretical energy density.However,the poor redox kinetics and the"shuttle effect"of polysulfide... The lithium-sulfur(Li-S)battery,as one of the energy storage devices,has been in the limelight due to its high theoretical energy density.However,the poor redox kinetics and the"shuttle effect"of polysulfides severely restrict the use of Li-S batteries in practical applications.Herein,a novel bimetallic LaNiO_(3) functional material with high electrical conductivity and catalytic property is prepared to act as a high-efficiency polysulfide shuttling stopper.The three LaNiO_(3) samples with different physical/chemical characteristics are obtained by controlling the calcination temperature.In conjunction with the high electrical conductivity and excellent catalytic properties of the as-prepared materials,the appropriate chemisorption toward polysulfides offers great potential to enhance electrochemical stability for highperformance Li-S batteries.Particularly,the Li-S cell with the separator modified by such functional material gives a specific capacity of 658 mA h g^(-1) after 500 cycles at a high current density of 2 C.Even with high sulfur loading of 6.05 mg cm^(-2),the Li-S battery still exhibits an areal specific capacity of 2.81 m A h cm^(-2)after 150 cycles.This work paves a new avenue for the rational design of materials for separator modification in high-performance Li-S batteries. 展开更多
关键词 Li-S battery functional separator Catalytic property Electrochemical stability Redox kinetics
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The Global Stability of Predator-Prey System of Gause-Type with Holling Ⅲ Functional Response 被引量:1
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作者 Feng Jian\|wen, Zen Xian\|wu College of Mathematics and Computer Sicence, Wuhan University, Wuhan 430072,China 《Wuhan University Journal of Natural Sciences》 CAS 2000年第3期271-277,共7页
This paper deals with the questio n of global stability of the positive locally asymptotically stable equilibrium in a class of predator\|prey system of Gause\|typ e with Holling Ⅲ functional response. The Dulac'... This paper deals with the questio n of global stability of the positive locally asymptotically stable equilibrium in a class of predator\|prey system of Gause\|typ e with Holling Ⅲ functional response. The Dulac's criterion is applied and lia punov functions are constructed to establish the global stability. 展开更多
关键词 global stability functional response predtor\|prey system limit cycle
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Stability of a cubic functional equation in intuitionistic random normed spaces 被引量:1
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作者 张石生 John Michael RASSIAS Reza SAADATI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2010年第1期21-26,共6页
In this paper, the stability of a cubic functional equation in the setting of intuitionistic random normed spaces is proved. We first introduce the notation of intuitionistic random normed spaces. Then, by virtue of t... In this paper, the stability of a cubic functional equation in the setting of intuitionistic random normed spaces is proved. We first introduce the notation of intuitionistic random normed spaces. Then, by virtue of this notation, we study the stability of a cubic functional equation in the setting of these spaces under arbitrary triangle norms. Furthermore, we present the interdisciplinary relation among the theory of random spaces, the theory of intuitionistic spaces, and the theory of functional equations. 展开更多
关键词 stabilITY cubic functional equation random normed space intuitionistic random normed spaces
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ON HYPERSTABILITY OF THE BIADDITIVE FUNCTIONAL EQUATION 被引量:1
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作者 Iz-iddine EL-FASSI Janusz BRZDEK +1 位作者 Abdellatif CHAHBI Samir KABBAJ 《Acta Mathematica Scientia》 SCIE CSCD 2017年第6期1727-1739,共13页
We present results on approximate solutions to the biadditive equationf(x+y,z-w)+f(x-y,z+w)=2f(x,z)-2f(y,w)on a restricted domain. The proof is based on a quite recent fixed point theorem in some function s... We present results on approximate solutions to the biadditive equationf(x+y,z-w)+f(x-y,z+w)=2f(x,z)-2f(y,w)on a restricted domain. The proof is based on a quite recent fixed point theorem in some function spaces. Our main results state that, under some weak natural assumptions, functions satisfying the equation approximately (in some sense) must be actually solutions to it. In this way we obtain inequalities characterizing biadditive mappings and inner product spaces. Our outcomes are connected with the well known issues of Ulam stability and hyperstability. 展开更多
关键词 HYPERstabilITY Ulam stability biadditive functional equation fixed point the-orem characterization of inner product space
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A Fixed Point Approach to the Fuzzy Stability of a Mixed Type Functional Equation 被引量:1
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作者 Cheng Li-hua Zhang Jun-min 《Communications in Mathematical Research》 CSCD 2016年第2期122-130,共9页
Through the paper, a general solution of a mixed type functional equation in fuzzy Banach space is obtained and by using the fixed point method a generalized Hyers-Ulam-Rassias stability of the mixed type functional e... Through the paper, a general solution of a mixed type functional equation in fuzzy Banach space is obtained and by using the fixed point method a generalized Hyers-Ulam-Rassias stability of the mixed type functional equation in fuzzy Banach space is proved. 展开更多
关键词 mixed functional equation Hyers-Ulam stability Fuzzy Banach space fixed point
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Non-Monotonic Lyapunov-Krasovskii Functional Approach to Stability Analysis and Stabilization of Discrete Time-Delay Systems 被引量:2
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作者 Younes Solgi Alireza Fatehi Ala Shariati 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2020年第3期752-763,共12页
In this paper, a novel non-monotonic Lyapunov-Krasovskii functional approach is proposed to deal with the stability analysis and stabilization problem of linear discrete time-delay systems. This technique is utilized ... In this paper, a novel non-monotonic Lyapunov-Krasovskii functional approach is proposed to deal with the stability analysis and stabilization problem of linear discrete time-delay systems. This technique is utilized to relax the monotonic requirement of the Lyapunov-Krasovskii theorem. In this regard, the Lyapunov-Krasovskii functional is allowed to increase in a few steps, while being forced to be overall decreasing. As a result, it relays on a larger class of Lyapunov-Krasovskii functionals to provide stability of a state-delay system. To this end, using the non-monotonic Lyapunov-Krasovskii theorem, new sufficient conditions are derived regarding linear matrix inequalities(LMIs)to study the global asymptotic stability of state-delay systems.Moreover, new stabilization conditions are also proposed for time-delay systems in this article. Both simulation and experimental results on a p H neutralizing process are provided to demonstrate the efficacy of the proposed method. 展开更多
关键词 Linear matrix inequality(LMI) non-monotonic LYAPUNOV-KRASOVSKII functional(NMLKF) pH NEUTRALIZATION plant stabilIZATION STATE-DELAY SYSTEM time-delay SYSTEM
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Forest biodiversity, relationships to structural and functional attributes, and stability in New England forests 被引量:1
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作者 Yude Pan Kevin McCullough David Y. Hollinger 《Forest Ecosystems》 SCIE CSCD 2018年第2期177-188,共12页
Background: Forest biodiversity is the foundation of many ecosystem services, and the effect of biodiversity on ecosystem functioning and processes (BEF) has been a central issue in biodiversity studies. Although m... Background: Forest biodiversity is the foundation of many ecosystem services, and the effect of biodiversity on ecosystem functioning and processes (BEF) has been a central issue in biodiversity studies. Although many hypotheses have been developed to interpret global gradients of biodiversity, there has not been complete agreement on mechanisms controlling biodiversity patterns and distributions. Differences may be due to limited observation data and inconsistencies of spatial scales in analysis. Methods: In this study, we take advantage of USDA Forest Service forest inventory and analysis (FIA) data for exploring regional forest biodiversity and BEF in New England forests. The FIA data provide detailed information of sampled plots and trees for the region, including 6000 FIA plots and more than 33,000 individual trees. Biodiversity models were used to analyze the data. Results: Tree species diversity increases from the north to the south at a rate about 2-3 species per latitudinal degree. Tree species diversity is better predicted by tree height than forest age or biomass. Very different distribution patterns of two common maple species, sugar maple (Acer sdcchorum) and red maple (Acer rubrum), highlight the vulnerability of sugar maple and its potential replacement by red maple on New England landscapes. Red maple generally already outperforms sugar maple, and will likely and continuously benefit from a changing climate in New England. Conclusions: We conclude that forest structure (height) and resources (biomass) are more likely foundational characteristics supporting biodiversity rather than biodiversity determining forest productivity and/or biomass. The potential replacement of red maple for sugar maple in the New England areas could affect biodiversity and stability of forest ecosystem functioning because sugar maple plays important ecological roles distinct from red maple that are beneficial to other tree species in northern hardwood forests. Such a change may not affect forest resilience in terms of forest productivity and biomass as these are similar in red maple and sugar maple, however, it would almost certainly alter forest structure across the landscape. 展开更多
关键词 Forest biodiversity Biodiversity effect on function (BEF) New England Forest inventory data Species diversity Latitudinal diversity gradient Forest stability of ecosystem functioning Forest resilience Sugar maple Red maple Changing climate
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