Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to ...Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to the study of"Leadership in Adult Education Venues",here has a much more clear recognition of leadership:leadership is a process whereby an individual influences a group of individuals to achieve a common goal.There are many approaches of leadership throughout the study of this class,the three theories of leadership I choose to describe in this paper are:Leader-Member Exchange(LMX)Theory,Transformational Leadership,and Team Leadership.展开更多
The molecular geometries and electronic structures of 30 nitrobenzenes have been calculated by using semi-empirical MO AM1 and PM3 methods. EHOMO, ELUMO, ENHOMO, ENLUMO, AE, QNO2, Qc and V were selected as the structu...The molecular geometries and electronic structures of 30 nitrobenzenes have been calculated by using semi-empirical MO AM1 and PM3 methods. EHOMO, ELUMO, ENHOMO, ENLUMO, AE, QNO2, Qc and V were selected as the structural descriptors. The acute toxicity (-log/C50) of nitrobenzenes to tetrahymena pyriformis along with the above eight structural parameters was used to establish the quantitative structure-activity relationships (QSARs). The results indicate that the established model based on AM I method is superior to that on PM3 method not only for the stability but also for the predictive powers of the model. Based on AM1 parameters, a further classifying discussion was presented for the study of nitrobenzene toxic mechanism. The results show that the substituents, nitro group and halogen substituents on the aromatic ring are crucial to the chemicals' toxicity. For nitrobenzenes without halogen or other substituent, the reduction of nitro group is the main route. However, for those with halogen substituents, their next lowest unoccupied molecular orbital may take part in the toxic action betweeen the chemicals and macromolecules, and ENLUMO has the most important effect on these chemicals' toxicity.展开更多
内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965~1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也...内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965~1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也有自己的认识。该文通过对两者的比较,试图理清建筑理论的基本意义,那就是提出问题并引起思考。展开更多
Fault parameters are important in earthquake hazard analysis.In this paper,theoretical relationships between moment magnitude and fault parameters including subsurface rupture length,downdip rupture width,rupture area...Fault parameters are important in earthquake hazard analysis.In this paper,theoretical relationships between moment magnitude and fault parameters including subsurface rupture length,downdip rupture width,rupture area,and average slip over the fault surface are deduced based on seismological theory.These theoretical relationships are further simplified by applying similarity conditions and an unique form is established.Then,combining the simplified theoretical relationships between moment magnitude and fault parameters with seismic source data selected in this study,a practical semi-empirical relationship is established.The seismic source data selected is also to used to derive empirical relationships between moment magnitude and fault parameters by the ordinary least square regression method.Comparisons between semi-empirical relationships and empirical relationships show that the former depict distribution trends of data better than the latter.It is also observed that downdip rupture widths of strike slip faults are saturated when moment magnitude is more than 7.0,but downdip rupture widths of dip slip faults are not saturated in the molnent magnitude rangcs of this study.展开更多
The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theor...The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theory. The desired results for micromorphic continuum mechanics and couple stress theory are naturally obtained via direct transitions and reductions from the coupled conservation law of energy for micropolar continuum theory, respectively. The basic balance laws and equations for micromorphic continuum mechanics and couple stress theory are constituted by combining these results derived here and the traditional conservation laws and equations of mass and microinertia and the entropy inequality. The incomplete degrees of the former related continuum theories are clarified. Finally, some special cases are conveniently derived.展开更多
Sea ice thickness is one of the most important input parameters for the prevention and mitigation of sea ice disasters and the prediction of local sea environments and climates. Estimating the sea ice thickness is cur...Sea ice thickness is one of the most important input parameters for the prevention and mitigation of sea ice disasters and the prediction of local sea environments and climates. Estimating the sea ice thickness is currently the most important issue in the study of sea ice remote sensing. With the Bohai Sea as the study area, a semiempirical model of the sea ice thickness(SEMSIT) that can be used to estimate the thickness of first-year ice based on existing water depth estimation models and hyperspectral remote sensing data according to an optical radiative transfer process in sea ice is proposed. In the model, the absorption and scattering properties of sea ice in different bands(spectral dimension information) are utilized. An integrated attenuation coefficient at the pixel level is estimated using the height of the reflectance peak at 1 088 nm. In addition, the surface reflectance of sea ice at the pixel level is estimated using the 1 550–1 750 nm band reflectance. The model is used to estimate the sea ice thickness with Hyperion images. The first validation results suggest that the proposed model and parameterization scheme can effectively reduce the estimation error associated with the sea ice thickness that is caused by temporal and spatial heterogeneities in the integrated attenuation coefficient and sea ice surface. A practical semi-empirical model and parameterization scheme that may be feasible for the sea ice thickness estimation using hyperspectral remote sensing data are potentially provided.展开更多
Salt-affected soils, caused by natural or human activities, are a common environmental hazard in semi-arid and arid landscapes. Excess salts in soils affect plant growth and production, soil and water quality and, the...Salt-affected soils, caused by natural or human activities, are a common environmental hazard in semi-arid and arid landscapes. Excess salts in soils affect plant growth and production, soil and water quality and, therefore, increase soil erosion and land degradation. This research investigates the performance of five different semi-empirical predictive models for soil salinity spatial distribution mapping in arid environment using OLI sensor image data. This is the first attempt to test remote sensing based semi-empirical salinity predictive models in this area: the Kingdom of Bahrain. To achieve our objectives, OLI data were standardized from the atmosphere interferences, the sensor radiometric drift, and the topographic and geometric distortions. Then, the five semi-empirical predictive models based on the Normalized Difference Salinity Index (NDSI), the Salinity Index-ASTER (SI-ASTER), the Salinity Index-1 (SI-1), the Soil Salinity and Sodicity Index-1 and Index-2 (SSSI-1 and SSSI-2), developed for slight and moderate salinity in agricultural land, were implemented and applied to OLI image data. For validation purposes, a fieldwork was organized and different important spots-locations representing different salinity levels were visited, photographed, and localized using an accurate GPS (σ ≤ ±30 cm). Based on this a priori knowledge of the soil salinity, six validation sites were selected to reflect non-saline, low, moderate, high and extreme salinity classes, descriptive statistics extracted from polygons and/or transects over these sites were used. The obtained results showed that the models based on NDSI, SI-1 and SI-ASTER all failed to detect salinity bounds for both extreme salinity (Sabkhah) and non-saline conditions. In Fact, NDSI and SI-ASTER gave respectively only 35% dS/m and 25% dS/m in extreme salinity validation site, while SI-1 and SI-ASTER indicated 38% dS/m and 39% dS/m in non-saline validation site. Therefore, these three models were deemed inadequate for the study site. However, both SSSI-1 and SSSI-2 allowed a detection of the previous salinity bounds and furthermore described similarly and correctly the urban-vegetation areas and the open-land areas. Their predicted EC is around 10% dS/m for non-saline urban soil, about 25% dS/m for low salinity urban-vegetation soil, approximately 30% to 75% dS/m, respectively, for moderate to high salinity soils. SSSI-2 based semi-empirical salinity models was able to differentiate the high salinity versus extreme salinity in areas where both exist and was very accurate to highlight the pure salt where SSSI-1 has reach saturation for both salinity classes. In conclusion, reliable salinity map was produced using the model based on SSSI-2 and OLI sensor data that allows a better characterization of the soil salinity problem in an Arid Environment.展开更多
Non-contact atomic force microscope is a powerful tool to investigate the surface topography with atomic resolution.Here we propose a new approach to estimate the interaction between its tips and samples,which combine...Non-contact atomic force microscope is a powerful tool to investigate the surface topography with atomic resolution.Here we propose a new approach to estimate the interaction between its tips and samples,which combines a semi-empirical model with density functional theory(DFT)calculations.The generated frequency shift images are consistent with the experiment for mapping organic molecules using CuCO,Cu,CuCl,and CuO_(x)tips.This approach achieves accuracy close to DFT calculation with much lower computational cost.展开更多
In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at ...In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.展开更多
A new semi-empirical formula for evaluating the residual strain of soils under earthquake loading is presented in this paper based on the incremental method and the increment model proposed by the authors.When the inc...A new semi-empirical formula for evaluating the residual strain of soils under earthquake loading is presented in this paper based on the incremental method and the increment model proposed by the authors.When the incident loading is uniform,the results calculated by the new formula are nearly the same as those by the existing formula.For excitation of the random earthquake loading,the results calculated by the new formula are compared to the results obtained by dynamic triaxial tests.The dynamic triaxial tests had been performed considering different seismic waves,confining stresses, consolidation ratios,and types of cohesive soils.The comparison between the calculated and tested results indicate that the presented formula can efficiently and practically describe the time-dependent process of the soil residual strains under actual seismic loads.展开更多
Pressure drop and liquid hold-up are two very important fluid flow parameters in design and control of multiphase flow pipelines.Friction factors play an important role in the accurate calculation of pressure drop.Var...Pressure drop and liquid hold-up are two very important fluid flow parameters in design and control of multiphase flow pipelines.Friction factors play an important role in the accurate calculation of pressure drop.Various empirical and semi-empirical closure relations exist in the literature to calculate the liquid-wall,gas-wall and interfacial friction in two-phase pipe flow.However most of them are empirical correlations found under special experimental conditions.In this paper by modification of a friction model available in the literature,an improved semiempirical model is proposed.The proposed model is incorporated in the two-fluid correlations under equilibrium conditions and solved.Pressure gradient and velocity profiles are validated against experimental data.Using the improved model,the pressure gradient deviation from experiments diminishes by about 3%;the no-slip condition at the interface is satisfied and the velocity profile is predicted in better agreement with the experimental data.展开更多
Diesel engines have proven over the years important in terms of efficiency and fuel consumption to power generation ratio. Many research works show the potential of biodiesel as a substitute for conventional gasoil. M...Diesel engines have proven over the years important in terms of efficiency and fuel consumption to power generation ratio. Many research works show the potential of biodiesel as a substitute for conventional gasoil. Mainly, previous and recent researches have focused on experimental investigation of diesel engine performance fuelled by biodiesel. Researches on the mathematical description of diesel engine process running on biodiesel are scarce, and mostly about chemical and thermodynamic description of the combustion process of biodiesel rather than performance studies. This work describes a numerical investigation on the performance analysis of a diesel engine fuelled by palm oil biodiesel. The numerical investigation was made using a semi empirical 0D model based on Wiebe’s and Watson’s model which was implemented via the open access numerical calculation software Scilab. The model was validated first by comparing with experimental pressure and performance data of a one cylinder engine at rated speed and secondly by comparing with a six cylinders engine performance data at various crankshaft rotational speeds. Simulations were then made to analyze the engine performance when running on biodiesel. The calculations were made at constant combustion duration and constant coefficient of excess air. Results showed that the model matches the overall experimental data, such as the power output and peak cylinder pressure. The ignition delay was somehow underestimated by the model for the first experiment, which caused a slight gap on in cylinder pressure curve, whereas it predicted the average ignition delay fairly well for the second set of validation. The simulations of engine performance when running on biodiesel confirmed results obtained in previous experimental researches on biodiesel. The model will be further investigated for engine control when shifting to biodiesel fuel.展开更多
By basic equations, two basic theories are presented: 1.Theory of stock's value v *(t)=v *(0) exp (ar * 2t); 2. Theory of conservation of stock's energy. Let stock's energy be defined as a q...By basic equations, two basic theories are presented: 1.Theory of stock's value v *(t)=v *(0) exp (ar * 2t); 2. Theory of conservation of stock's energy. Let stock's energy be defined as a quadratic function of stock's price v and its derivative , =Av 2+ Bv+C 2+Dv, under the constraint of basic equation, the problem was reduced to a problem of constrained optimization along optimal path. Using Lagrange multiplier and Euler equation of variation method, it can be proved that keeps conservation for any v,. The application of these equations and theories on judgement and analysis of tendency of stock market are given, and the judgement is checked to be correct by the recorded tendency of Shenzhen and Shanghai stock markets.展开更多
Volatile components in the extracts of basil leaves (Ocimum basilicum L.) were identified by gas chromatography/mass spectrometry (GC/MS) with electron ionization (EI) mode. The major volatile components of basil unde...Volatile components in the extracts of basil leaves (Ocimum basilicum L.) were identified by gas chromatography/mass spectrometry (GC/MS) with electron ionization (EI) mode. The major volatile components of basil under investigation are α-pinene, sabinene, β-pinene, d-limonene, eucalyptol, l-linalool and estragole. Electron ionization mass spectra of these compounds have been obtained and investigated. Furthermore, the semi-empirical MNDO [Modified Neglect of Diatomic Overlap] method was used to calculate the thermochemical data for the structural properties of these compounds.展开更多
This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhe...This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhering to evidence-based principles.Utilizing the System Function Decoding Model(SFDM),the research progresses through define,quantify,infer,and validate phases to systematically explore TCM’s material basis.It employs a dual analytical approach that combines top-down,systems theory-guided perspectives with bottom-up,elements-structure-function methodologies,provides comprehensive insights into TCM’s holistic material basis.Moreover,the research examines AI’s role in quantitative assessment and predictive analysis of TCM’s material components,proposing two specific AIdriven technical applications.This interdisciplinary effort underscores AI’s potential to enhance our understanding of TCM’s holistic material basis and establishes a foundation for future research at the intersection of traditional wisdom and modern technology.展开更多
Calculations of secondary electron yield(SEY) by physical formula can hardly accord with experimental results precisely. Simplified descriptions of internal electron movements in the calculation and complex surface ...Calculations of secondary electron yield(SEY) by physical formula can hardly accord with experimental results precisely. Simplified descriptions of internal electron movements in the calculation and complex surface contamination states of real sample result in notable difference between simulations and experiments. In this paper, in order to calculate SEY of metal under complicated surface state accurately, we propose a synthetic semi-empirical physical model. The processes of excitation of internal secondary electron(SE) and movement toward surface can be simulated using this model.This model also takes into account the influences of incident angle and backscattering electrons as well as the surface gas contamination. In order to describe internal electronic states accurately, the penetration coefficient of incident electron is described as a function of material atom number. Directions of internal electrons are set to be uniform in each angle. The distribution of internal SEs is proposed by considering both the integration convergence and the cascade scattering process.In addition, according to the experiment data, relationship among desorption gas quantities, sample ultimate temperature and SEY is established. Comparing with experiment results, this synthetic semi-empirical physical model can describe the SEY of metal better than former formulas, especially in the aspect of surface contaminated states. The proposed synthetic semi-empirical physical model and presented results in this paper can be helpful for further studying SE emission, and offer an available method for estimating and taking advantage of SE emission accurately.展开更多
The aim of this research is to map the salt-affected soil in an arid environment using an advanced semi-empirical predictive model, Operational Land Imager (OLI) data, a digital elevation model (DEM), field soil sampl...The aim of this research is to map the salt-affected soil in an arid environment using an advanced semi-empirical predictive model, Operational Land Imager (OLI) data, a digital elevation model (DEM), field soil sampling, and laboratory and statistical analyses. To achieve our objectives, the OLI data were atmospherically corrected, radiometric sensor drift was calibrated, and distortions of topography and geometry were corrected using a DEM. Then, the soil salinity map was derived using a semi-empirical predictive model based on the Soil Salinity and Sodicity Index-2 (SSSI-2). The vegetation cover map was extracted from the Transformed Difference Vegetation Index (TDVI). In addition, accurate DEM of 5-m pixels was used to derive topographic attributes (elevation and slope). Visual comparisons and statistical validation of the semi-empirical model using ground truth were undertaken in order to test its capability in an arid environment for moderate and strong salinity mapping. To accomplish this step, fieldwork was organized and 120 soil samples were collected with various degrees of salinity, including non-saline soil samples. Each one was automatically labeled using a digital camera and an accurate global positioning system (GPS) survey (σ ≤ ± 30 cm) connected in real time to the geographic information system (GIS) database. Subsequently, in the laboratory, the major exchangeable cations (Ca2+, Mg2+, Na+, K+, Cl- and SO42-), pH and the electrical conductivity (EC-Lab) were extracted from a saturated soil paste, as well as the sodium adsorption ratio (SAR) being calculated. The EC-Lab, which is generally accepted as the most effective method for soil salinity quantification was used for statistical analysis and validation purposes. The obtained results demonstrated a very good conformity between the derived soil salinity map from OLI data and the ground truth, highlighting six major salinity classes: Extreme, very high, high, moderate, low and non-saline. The laboratory chemical analyses corroborate these results. Furthermore, the semi-empirical predictive model provides good global results in comparison to the ground truth and laboratory analysis (EC-Lab), with correlation coefficient (R2) of 0.97, an index of agreement (D) of 0.84 (p < 0.05), and low overall root mean square error (RMSE) of 11%. Moreover, we found that topographic attributes have a substantial impact on the spatial distribution of salinity. The areas at a relatively high altitude and with hard bedrock are less susceptible to salinity, while areas at a low altitude and slope (≤2%) composed of Quaternary soil are prone to it. In these low areas, the water table is very close to the surface (≤1 m), and the absence of an adequate drainage network contributes significantly to waterlogging. Consequently, the intrusion and emergence of seawater at the surface, coupled with high temperature and high evaporation rates, contribute extensively to the soil salinity in the study area.展开更多
Investigating natural-inspired applications is a perennially appealing subject for scientists. The current increase in the speed of natural-origin structure growth may be linked to their superior mechanical properties...Investigating natural-inspired applications is a perennially appealing subject for scientists. The current increase in the speed of natural-origin structure growth may be linked to their superior mechanical properties and environmental resilience. Biological composite structures with helicoidal schemes and designs have remarkable capacities to absorb impact energy and withstand damage. However, there is a dearth of extensive study on the influence of fiber redirection and reorientation inside the matrix of a helicoid structure on its mechanical performance and reactivity. The present study aimed to explore the static and transient responses of a bio-inspired helicoid laminated composite(B-iHLC) shell under the influence of an explosive load using an isomorphic method. The structural integrity of the shell is maintained by a viscoelastic basis known as the Pasternak foundation, which encompasses two coefficients of stiffness and one coefficient of damping. The equilibrium equations governing shell dynamics are obtained by using Hamilton's principle and including the modified first-order shear theory,therefore obviating the need to employ a shear correction factor. The paper's model and approach are validated by doing numerical comparisons with respected publications. The findings of this study may be used in the construction of military and civilian infrastructure in situations when the structure is subjected to severe stresses that might potentially result in catastrophic collapse. The findings of this paper serve as the foundation for several other issues, including geometric optimization and the dynamic response of similar mechanical structures.展开更多
Malicious attacks against data are unavoidable in the interconnected,open and shared Energy Internet(EI),Intrusion tolerant techniques are critical to the data security of EI.Existing intrusion tolerant techniques suf...Malicious attacks against data are unavoidable in the interconnected,open and shared Energy Internet(EI),Intrusion tolerant techniques are critical to the data security of EI.Existing intrusion tolerant techniques suffered from problems such as low adaptability,policy lag,and difficulty in determining the degree of tolerance.To address these issues,we propose a novel adaptive intrusion tolerance model based on game theory that enjoys two-fold ideas:(1)it constructs an improved replica of the intrusion tolerance model of the dynamic equation evolution game to induce incentive weights;and (2)it combines a tournament competition model with incentive weights to obtain optimal strategies for each stage of the game process.Extensive experiments are conducted in the IEEE 39-bus system,whose results demonstrate the feasibility of the incentive weights,confirm the proposed strategy strengthens the system’s ability to tolerate aggression,and improves the dynamic adaptability and response efficiency of the aggression-tolerant system in the case of limited resources.展开更多
BACKGROUND The comprehension and utilization of timing theory and behavior change can offer a more extensive and individualized provision of support and treatment alternatives for primipara.This has the potential to e...BACKGROUND The comprehension and utilization of timing theory and behavior change can offer a more extensive and individualized provision of support and treatment alternatives for primipara.This has the potential to enhance the psychological well-being and overall quality of life for primipara,while also furnishing healthcare providers with efficacious interventions to tackle the psychological and physiological obstacles encountered during the stages of pregnancy and postpartum.AIM To explore the effect of timing theory combined with behavior change on selfefficacy,negative emotions and quality of life in patients with primipara.METHODS A total of 80 primipara cases were selected and admitted to our hospital between August 2020 and May 2022.These cases were divided into two groups,namely the observation group and the control group,with 40 cases in each group.The nursing interventions differed between the two groups,with the control group receiving routine nursing and the observation group receiving integrated nursing based on the timing theory and behavior change.The study aimed to compare the pre-and post-nursing scores of Chinese Perceived Stress Scale(CPSS),Edinburgh Postpartum Depression Scale(EPDS),Self-rating Anxiety Scale(SAS),breast milk knowledge,self-efficacy,and SF-36 quality of life in both groups.RESULTS After nursing,the CPSS,EPDS,and SAS scores of the two groups was significantly lower than that before nursing,and the CPSS,EPDS,and SAS scores of the observation group was significantly lower than that of the control group(P=0.002,P=0.011,and P=0.001 respectively).After nursing,the breastfeeding knowledge mastery,selfefficacy,and SF-36 quality of life scores was significantly higher than that before nursing,and the breastfeeding knowledge mastery(P=0.013),self-efficacy(P=0.008),and SF-36 quality of life(P=0.011)scores of the observation group was significantly higher than that of the control group.CONCLUSION The integration of timing theory and behavior change integrated theory has been found to be an effective approach in alleviating negative mood and stress experienced by primipara individuals,while also enhancing their selfefficacy and overall quality of life.This study focuses on the key concepts of timing theory,behavior change,primipara individuals,negative mood,and quality of life.展开更多
文摘Leadership is a complex process.It is one of the most researched areas around the world.It has gained importance in every walk of life from politics to business and from education to social organizations.According to the study of"Leadership in Adult Education Venues",here has a much more clear recognition of leadership:leadership is a process whereby an individual influences a group of individuals to achieve a common goal.There are many approaches of leadership throughout the study of this class,the three theories of leadership I choose to describe in this paper are:Leader-Member Exchange(LMX)Theory,Transformational Leadership,and Team Leadership.
基金This work was supported by the National Natural Science Foundation of China (No.10576030)
文摘The molecular geometries and electronic structures of 30 nitrobenzenes have been calculated by using semi-empirical MO AM1 and PM3 methods. EHOMO, ELUMO, ENHOMO, ENLUMO, AE, QNO2, Qc and V were selected as the structural descriptors. The acute toxicity (-log/C50) of nitrobenzenes to tetrahymena pyriformis along with the above eight structural parameters was used to establish the quantitative structure-activity relationships (QSARs). The results indicate that the established model based on AM I method is superior to that on PM3 method not only for the stability but also for the predictive powers of the model. Based on AM1 parameters, a further classifying discussion was presented for the study of nitrobenzene toxic mechanism. The results show that the substituents, nitro group and halogen substituents on the aromatic ring are crucial to the chemicals' toxicity. For nitrobenzenes without halogen or other substituent, the reduction of nitro group is the main route. However, for those with halogen substituents, their next lowest unoccupied molecular orbital may take part in the toxic action betweeen the chemicals and macromolecules, and ENLUMO has the most important effect on these chemicals' toxicity.
文摘内斯比特(KateNesbitt)在她的Theorizing A New Agenda for Architecture,An Anthology of Architectural Theory,1965~1995一书中较为全面地介绍了当代西方建筑理论界所关心的主要问题及其相关的思考。对于这些问题,国内建筑理论界也有自己的认识。该文通过对两者的比较,试图理清建筑理论的基本意义,那就是提出问题并引起思考。
基金Ministry of Science and Technology of China(Grant No.2002DIB30076)China Seismological Bureau(Grant No.201009)
文摘Fault parameters are important in earthquake hazard analysis.In this paper,theoretical relationships between moment magnitude and fault parameters including subsurface rupture length,downdip rupture width,rupture area,and average slip over the fault surface are deduced based on seismological theory.These theoretical relationships are further simplified by applying similarity conditions and an unique form is established.Then,combining the simplified theoretical relationships between moment magnitude and fault parameters with seismic source data selected in this study,a practical semi-empirical relationship is established.The seismic source data selected is also to used to derive empirical relationships between moment magnitude and fault parameters by the ordinary least square regression method.Comparisons between semi-empirical relationships and empirical relationships show that the former depict distribution trends of data better than the latter.It is also observed that downdip rupture widths of strike slip faults are saturated when moment magnitude is more than 7.0,but downdip rupture widths of dip slip faults are not saturated in the molnent magnitude rangcs of this study.
文摘The purpose is to reestablish the balance laws of momentum, angular momentum and energy and to derive the corresponding local and nonlocal balance equations for micromorphic continuum mechanics and couple stress theory. The desired results for micromorphic continuum mechanics and couple stress theory are naturally obtained via direct transitions and reductions from the coupled conservation law of energy for micropolar continuum theory, respectively. The basic balance laws and equations for micromorphic continuum mechanics and couple stress theory are constituted by combining these results derived here and the traditional conservation laws and equations of mass and microinertia and the entropy inequality. The incomplete degrees of the former related continuum theories are clarified. Finally, some special cases are conveniently derived.
基金The National Natural Science Fundation of China under contract No.41306091the Public Science and Technology Research Funds Projects of Ocean under contract Nos 201105016 and 201505019
文摘Sea ice thickness is one of the most important input parameters for the prevention and mitigation of sea ice disasters and the prediction of local sea environments and climates. Estimating the sea ice thickness is currently the most important issue in the study of sea ice remote sensing. With the Bohai Sea as the study area, a semiempirical model of the sea ice thickness(SEMSIT) that can be used to estimate the thickness of first-year ice based on existing water depth estimation models and hyperspectral remote sensing data according to an optical radiative transfer process in sea ice is proposed. In the model, the absorption and scattering properties of sea ice in different bands(spectral dimension information) are utilized. An integrated attenuation coefficient at the pixel level is estimated using the height of the reflectance peak at 1 088 nm. In addition, the surface reflectance of sea ice at the pixel level is estimated using the 1 550–1 750 nm band reflectance. The model is used to estimate the sea ice thickness with Hyperion images. The first validation results suggest that the proposed model and parameterization scheme can effectively reduce the estimation error associated with the sea ice thickness that is caused by temporal and spatial heterogeneities in the integrated attenuation coefficient and sea ice surface. A practical semi-empirical model and parameterization scheme that may be feasible for the sea ice thickness estimation using hyperspectral remote sensing data are potentially provided.
文摘Salt-affected soils, caused by natural or human activities, are a common environmental hazard in semi-arid and arid landscapes. Excess salts in soils affect plant growth and production, soil and water quality and, therefore, increase soil erosion and land degradation. This research investigates the performance of five different semi-empirical predictive models for soil salinity spatial distribution mapping in arid environment using OLI sensor image data. This is the first attempt to test remote sensing based semi-empirical salinity predictive models in this area: the Kingdom of Bahrain. To achieve our objectives, OLI data were standardized from the atmosphere interferences, the sensor radiometric drift, and the topographic and geometric distortions. Then, the five semi-empirical predictive models based on the Normalized Difference Salinity Index (NDSI), the Salinity Index-ASTER (SI-ASTER), the Salinity Index-1 (SI-1), the Soil Salinity and Sodicity Index-1 and Index-2 (SSSI-1 and SSSI-2), developed for slight and moderate salinity in agricultural land, were implemented and applied to OLI image data. For validation purposes, a fieldwork was organized and different important spots-locations representing different salinity levels were visited, photographed, and localized using an accurate GPS (σ ≤ ±30 cm). Based on this a priori knowledge of the soil salinity, six validation sites were selected to reflect non-saline, low, moderate, high and extreme salinity classes, descriptive statistics extracted from polygons and/or transects over these sites were used. The obtained results showed that the models based on NDSI, SI-1 and SI-ASTER all failed to detect salinity bounds for both extreme salinity (Sabkhah) and non-saline conditions. In Fact, NDSI and SI-ASTER gave respectively only 35% dS/m and 25% dS/m in extreme salinity validation site, while SI-1 and SI-ASTER indicated 38% dS/m and 39% dS/m in non-saline validation site. Therefore, these three models were deemed inadequate for the study site. However, both SSSI-1 and SSSI-2 allowed a detection of the previous salinity bounds and furthermore described similarly and correctly the urban-vegetation areas and the open-land areas. Their predicted EC is around 10% dS/m for non-saline urban soil, about 25% dS/m for low salinity urban-vegetation soil, approximately 30% to 75% dS/m, respectively, for moderate to high salinity soils. SSSI-2 based semi-empirical salinity models was able to differentiate the high salinity versus extreme salinity in areas where both exist and was very accurate to highlight the pure salt where SSSI-1 has reach saturation for both salinity classes. In conclusion, reliable salinity map was produced using the model based on SSSI-2 and OLI sensor data that allows a better characterization of the soil salinity problem in an Arid Environment.
基金Project supported by the National Nature Science Foundation of China(Grant No.11804247)。
文摘Non-contact atomic force microscope is a powerful tool to investigate the surface topography with atomic resolution.Here we propose a new approach to estimate the interaction between its tips and samples,which combines a semi-empirical model with density functional theory(DFT)calculations.The generated frequency shift images are consistent with the experiment for mapping organic molecules using CuCO,Cu,CuCl,and CuO_(x)tips.This approach achieves accuracy close to DFT calculation with much lower computational cost.
基金supported by the National Natural Science Foundation of China under Grant Nos.12122401 and 12074007.
文摘In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.
基金National Natural Science Foundation of China(Grant No.59978049)
文摘A new semi-empirical formula for evaluating the residual strain of soils under earthquake loading is presented in this paper based on the incremental method and the increment model proposed by the authors.When the incident loading is uniform,the results calculated by the new formula are nearly the same as those by the existing formula.For excitation of the random earthquake loading,the results calculated by the new formula are compared to the results obtained by dynamic triaxial tests.The dynamic triaxial tests had been performed considering different seismic waves,confining stresses, consolidation ratios,and types of cohesive soils.The comparison between the calculated and tested results indicate that the presented formula can efficiently and practically describe the time-dependent process of the soil residual strains under actual seismic loads.
基金supported by the Iran National Science Foundation(Grant 96006257)。
文摘Pressure drop and liquid hold-up are two very important fluid flow parameters in design and control of multiphase flow pipelines.Friction factors play an important role in the accurate calculation of pressure drop.Various empirical and semi-empirical closure relations exist in the literature to calculate the liquid-wall,gas-wall and interfacial friction in two-phase pipe flow.However most of them are empirical correlations found under special experimental conditions.In this paper by modification of a friction model available in the literature,an improved semiempirical model is proposed.The proposed model is incorporated in the two-fluid correlations under equilibrium conditions and solved.Pressure gradient and velocity profiles are validated against experimental data.Using the improved model,the pressure gradient deviation from experiments diminishes by about 3%;the no-slip condition at the interface is satisfied and the velocity profile is predicted in better agreement with the experimental data.
文摘Diesel engines have proven over the years important in terms of efficiency and fuel consumption to power generation ratio. Many research works show the potential of biodiesel as a substitute for conventional gasoil. Mainly, previous and recent researches have focused on experimental investigation of diesel engine performance fuelled by biodiesel. Researches on the mathematical description of diesel engine process running on biodiesel are scarce, and mostly about chemical and thermodynamic description of the combustion process of biodiesel rather than performance studies. This work describes a numerical investigation on the performance analysis of a diesel engine fuelled by palm oil biodiesel. The numerical investigation was made using a semi empirical 0D model based on Wiebe’s and Watson’s model which was implemented via the open access numerical calculation software Scilab. The model was validated first by comparing with experimental pressure and performance data of a one cylinder engine at rated speed and secondly by comparing with a six cylinders engine performance data at various crankshaft rotational speeds. Simulations were then made to analyze the engine performance when running on biodiesel. The calculations were made at constant combustion duration and constant coefficient of excess air. Results showed that the model matches the overall experimental data, such as the power output and peak cylinder pressure. The ignition delay was somehow underestimated by the model for the first experiment, which caused a slight gap on in cylinder pressure curve, whereas it predicted the average ignition delay fairly well for the second set of validation. The simulations of engine performance when running on biodiesel confirmed results obtained in previous experimental researches on biodiesel. The model will be further investigated for engine control when shifting to biodiesel fuel.
文摘By basic equations, two basic theories are presented: 1.Theory of stock's value v *(t)=v *(0) exp (ar * 2t); 2. Theory of conservation of stock's energy. Let stock's energy be defined as a quadratic function of stock's price v and its derivative , =Av 2+ Bv+C 2+Dv, under the constraint of basic equation, the problem was reduced to a problem of constrained optimization along optimal path. Using Lagrange multiplier and Euler equation of variation method, it can be proved that keeps conservation for any v,. The application of these equations and theories on judgement and analysis of tendency of stock market are given, and the judgement is checked to be correct by the recorded tendency of Shenzhen and Shanghai stock markets.
文摘Volatile components in the extracts of basil leaves (Ocimum basilicum L.) were identified by gas chromatography/mass spectrometry (GC/MS) with electron ionization (EI) mode. The major volatile components of basil under investigation are α-pinene, sabinene, β-pinene, d-limonene, eucalyptol, l-linalool and estragole. Electron ionization mass spectra of these compounds have been obtained and investigated. Furthermore, the semi-empirical MNDO [Modified Neglect of Diatomic Overlap] method was used to calculate the thermochemical data for the structural properties of these compounds.
基金supported by the National Natural Science Foundation of China(82230117).
文摘This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhering to evidence-based principles.Utilizing the System Function Decoding Model(SFDM),the research progresses through define,quantify,infer,and validate phases to systematically explore TCM’s material basis.It employs a dual analytical approach that combines top-down,systems theory-guided perspectives with bottom-up,elements-structure-function methodologies,provides comprehensive insights into TCM’s holistic material basis.Moreover,the research examines AI’s role in quantitative assessment and predictive analysis of TCM’s material components,proposing two specific AIdriven technical applications.This interdisciplinary effort underscores AI’s potential to enhance our understanding of TCM’s holistic material basis and establishes a foundation for future research at the intersection of traditional wisdom and modern technology.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.U1537211 and 11675278)the China Postdoctoral Science Foundation(Grant No.2016M602944XB)
文摘Calculations of secondary electron yield(SEY) by physical formula can hardly accord with experimental results precisely. Simplified descriptions of internal electron movements in the calculation and complex surface contamination states of real sample result in notable difference between simulations and experiments. In this paper, in order to calculate SEY of metal under complicated surface state accurately, we propose a synthetic semi-empirical physical model. The processes of excitation of internal secondary electron(SE) and movement toward surface can be simulated using this model.This model also takes into account the influences of incident angle and backscattering electrons as well as the surface gas contamination. In order to describe internal electronic states accurately, the penetration coefficient of incident electron is described as a function of material atom number. Directions of internal electrons are set to be uniform in each angle. The distribution of internal SEs is proposed by considering both the integration convergence and the cascade scattering process.In addition, according to the experiment data, relationship among desorption gas quantities, sample ultimate temperature and SEY is established. Comparing with experiment results, this synthetic semi-empirical physical model can describe the SEY of metal better than former formulas, especially in the aspect of surface contaminated states. The proposed synthetic semi-empirical physical model and presented results in this paper can be helpful for further studying SE emission, and offer an available method for estimating and taking advantage of SE emission accurately.
文摘The aim of this research is to map the salt-affected soil in an arid environment using an advanced semi-empirical predictive model, Operational Land Imager (OLI) data, a digital elevation model (DEM), field soil sampling, and laboratory and statistical analyses. To achieve our objectives, the OLI data were atmospherically corrected, radiometric sensor drift was calibrated, and distortions of topography and geometry were corrected using a DEM. Then, the soil salinity map was derived using a semi-empirical predictive model based on the Soil Salinity and Sodicity Index-2 (SSSI-2). The vegetation cover map was extracted from the Transformed Difference Vegetation Index (TDVI). In addition, accurate DEM of 5-m pixels was used to derive topographic attributes (elevation and slope). Visual comparisons and statistical validation of the semi-empirical model using ground truth were undertaken in order to test its capability in an arid environment for moderate and strong salinity mapping. To accomplish this step, fieldwork was organized and 120 soil samples were collected with various degrees of salinity, including non-saline soil samples. Each one was automatically labeled using a digital camera and an accurate global positioning system (GPS) survey (σ ≤ ± 30 cm) connected in real time to the geographic information system (GIS) database. Subsequently, in the laboratory, the major exchangeable cations (Ca2+, Mg2+, Na+, K+, Cl- and SO42-), pH and the electrical conductivity (EC-Lab) were extracted from a saturated soil paste, as well as the sodium adsorption ratio (SAR) being calculated. The EC-Lab, which is generally accepted as the most effective method for soil salinity quantification was used for statistical analysis and validation purposes. The obtained results demonstrated a very good conformity between the derived soil salinity map from OLI data and the ground truth, highlighting six major salinity classes: Extreme, very high, high, moderate, low and non-saline. The laboratory chemical analyses corroborate these results. Furthermore, the semi-empirical predictive model provides good global results in comparison to the ground truth and laboratory analysis (EC-Lab), with correlation coefficient (R2) of 0.97, an index of agreement (D) of 0.84 (p < 0.05), and low overall root mean square error (RMSE) of 11%. Moreover, we found that topographic attributes have a substantial impact on the spatial distribution of salinity. The areas at a relatively high altitude and with hard bedrock are less susceptible to salinity, while areas at a low altitude and slope (≤2%) composed of Quaternary soil are prone to it. In these low areas, the water table is very close to the surface (≤1 m), and the absence of an adequate drainage network contributes significantly to waterlogging. Consequently, the intrusion and emergence of seawater at the surface, coupled with high temperature and high evaporation rates, contribute extensively to the soil salinity in the study area.
文摘Investigating natural-inspired applications is a perennially appealing subject for scientists. The current increase in the speed of natural-origin structure growth may be linked to their superior mechanical properties and environmental resilience. Biological composite structures with helicoidal schemes and designs have remarkable capacities to absorb impact energy and withstand damage. However, there is a dearth of extensive study on the influence of fiber redirection and reorientation inside the matrix of a helicoid structure on its mechanical performance and reactivity. The present study aimed to explore the static and transient responses of a bio-inspired helicoid laminated composite(B-iHLC) shell under the influence of an explosive load using an isomorphic method. The structural integrity of the shell is maintained by a viscoelastic basis known as the Pasternak foundation, which encompasses two coefficients of stiffness and one coefficient of damping. The equilibrium equations governing shell dynamics are obtained by using Hamilton's principle and including the modified first-order shear theory,therefore obviating the need to employ a shear correction factor. The paper's model and approach are validated by doing numerical comparisons with respected publications. The findings of this study may be used in the construction of military and civilian infrastructure in situations when the structure is subjected to severe stresses that might potentially result in catastrophic collapse. The findings of this paper serve as the foundation for several other issues, including geometric optimization and the dynamic response of similar mechanical structures.
基金supported by the National Natural Science Foundation of China(Nos.51977113,62293500,62293501 and 62293505).
文摘Malicious attacks against data are unavoidable in the interconnected,open and shared Energy Internet(EI),Intrusion tolerant techniques are critical to the data security of EI.Existing intrusion tolerant techniques suffered from problems such as low adaptability,policy lag,and difficulty in determining the degree of tolerance.To address these issues,we propose a novel adaptive intrusion tolerance model based on game theory that enjoys two-fold ideas:(1)it constructs an improved replica of the intrusion tolerance model of the dynamic equation evolution game to induce incentive weights;and (2)it combines a tournament competition model with incentive weights to obtain optimal strategies for each stage of the game process.Extensive experiments are conducted in the IEEE 39-bus system,whose results demonstrate the feasibility of the incentive weights,confirm the proposed strategy strengthens the system’s ability to tolerate aggression,and improves the dynamic adaptability and response efficiency of the aggression-tolerant system in the case of limited resources.
文摘BACKGROUND The comprehension and utilization of timing theory and behavior change can offer a more extensive and individualized provision of support and treatment alternatives for primipara.This has the potential to enhance the psychological well-being and overall quality of life for primipara,while also furnishing healthcare providers with efficacious interventions to tackle the psychological and physiological obstacles encountered during the stages of pregnancy and postpartum.AIM To explore the effect of timing theory combined with behavior change on selfefficacy,negative emotions and quality of life in patients with primipara.METHODS A total of 80 primipara cases were selected and admitted to our hospital between August 2020 and May 2022.These cases were divided into two groups,namely the observation group and the control group,with 40 cases in each group.The nursing interventions differed between the two groups,with the control group receiving routine nursing and the observation group receiving integrated nursing based on the timing theory and behavior change.The study aimed to compare the pre-and post-nursing scores of Chinese Perceived Stress Scale(CPSS),Edinburgh Postpartum Depression Scale(EPDS),Self-rating Anxiety Scale(SAS),breast milk knowledge,self-efficacy,and SF-36 quality of life in both groups.RESULTS After nursing,the CPSS,EPDS,and SAS scores of the two groups was significantly lower than that before nursing,and the CPSS,EPDS,and SAS scores of the observation group was significantly lower than that of the control group(P=0.002,P=0.011,and P=0.001 respectively).After nursing,the breastfeeding knowledge mastery,selfefficacy,and SF-36 quality of life scores was significantly higher than that before nursing,and the breastfeeding knowledge mastery(P=0.013),self-efficacy(P=0.008),and SF-36 quality of life(P=0.011)scores of the observation group was significantly higher than that of the control group.CONCLUSION The integration of timing theory and behavior change integrated theory has been found to be an effective approach in alleviating negative mood and stress experienced by primipara individuals,while also enhancing their selfefficacy and overall quality of life.This study focuses on the key concepts of timing theory,behavior change,primipara individuals,negative mood,and quality of life.