Leaf Area Calculation Model of E.urophylla and E.grandis×E.urophylla

[Objective] The aim was to build an optimal leaf area measurement model of E. urophylla and E. grandis×E.urophylla. [Method] The correlation between leaf area and leaf＇s eigenvalue of E. urophylla and E. grandis×E.urophylla were studied. [Result] There was certain difference in leaf characteristics values between the 2 species. The leaf areas of E. urophylla and E. grandis×E.urophylla both had significant correlation with leaf length,leaf width,leaf perimeter,leaf length × leaf width,the ratio of leaf length to leaf width,shape factor,etc.,so the factors could be constructed into a regression model with leaf area. Among them,the best 2 models for leaf area calculation which were built by leaf length × leaf width of E. urophylla and E. grandis×E.urophylla both had relatively high accuracy and practical applications. [Conclusion] The research provides a simple and effective leaf area measurement method for studies on the 2 tree species.

Calculation model of edge carbon atoms in graphite particles for anode of lithium-ion batteries

Based on the hexagonal crystallite model of graphite,the electrochemical characteristics of carbon atoms on the edge and basal plane were proposed by analyzing graphite crystal structure and bonds of carbon atoms in different sites.A spherical close-packed model for graphite particle was developed.The fractions of surface carbon atoms（SCA） and edge carbon atoms（ECA） were derived in the expression of crystallographic parameters and particle size,and the effects of ECA on the initial irreversible capacity and the mechanisms of action were analyzed and verified.The results show that the atoms on the edge are more active for electrochemical reactions,such as electrolyte decomposition and tendency to form stable bond with other atoms and groups.For the practical graphite particle,corresponding modifying factors were introduced to revise the difference in calculating results.The revised expression is suitable for the calculation of the fractions of SCA and ECA for carbon materials such as graphite,disordered carbon and modified graphite.

Calculation of Vapour Pressure of Metals by Statistical-Mechanical Method With the Debye Model

Statistical expression of vapour pressure equations of metals is derived from the Debye model.The statistical distribution of T_(-p) ensemble is presented in an in-elab- orate mode and the partition function is defined.The vapour pressure of eleven metals have been calculated with the Debye equation and compared with those given by the E- instein equation and empirical equation.Comparison of results of calculation from dif- ferent methods show their evident accordance within the same orders of magnitude.

A MODEL FOR NUMERICAL CALCULATION OF UNSTEADYTEMPERATURE FIELD

The model established in this paper for calculating the unsteady temperature field, in which physical parameters varies with temperatures, is simplified as compared with the classical one by defining the heat conductivity as function of temperature and dealing with the latent heat of phase transformation and boundary conditions. The results show that the probability of absolute error less 2℃ between the calculated and measured values in temperature field calculation reaches above 80%.

A BFG model for calculation of tidal current and diffusion of pollutants in nearshore areas

This study presents a boundary-fitted grid (BFG) numerical model with an aim to simulate the tidal currents and diffusion of pollutants in complicated nearshore areas. To suit the general model to any curvilinear grids, generalized 2-D shallow sea dynamic equations and the advection diffusion equation are derived in curvilinear coordinates, and the contravariant components of the velocity vector are adopted for easily realizing boundary conditions and making the equations conservational. As the generalized equations are not limited by a speCific coordinate transformation. a self-adaptive grid generation method is then proposed conveniently to generate a boundary-fitted and varying SPacing grid.The calculation in the Yangpu Bay and the Xinying Bay shows that this is an effective model for calculating tidal currents and diffusion of pollutants in the more complicated nearshore areas.

Calculation grid and turbulence model for numerical simulating pressure fluctuations in high-speed train tunnel

Calculation grid and turbulence model for numerical simulating pressure fluctuations in a high-speed train tunnel are studied through the comparison analysis of numerical simulation and moving model test.Compared the waveforms and peak-peak values of pressure fluctuations between numerical simulation and moving model test,the structured grid and the SST k-ωturbulence model are selected for numerical simulating the process of high-speed train passing through the tunnel.The largest value of pressure wave amplitudes of numerical simulation and moving model test meet each other.And the locations of the largest value of the initial compression and expansion wave amplitude of numerical simulation are in agreement with that of moving model test.The calculated pressure at the measurement point fully conforms to the propagation law of compression and expansion waves in the tunnel.

Calculation Model of Equivalent Strength for Induced Crack Based on Double-K Fracture Theory and Its Optimizing Setting in RCC Arch Dam

By means of fracture testing on roller-compacted concrete （RCC） three-point bending beams with two different specimen sizes, the P-CMOD complete curve for RCC was gained. Furthermore, by applying double-K fracture theory, KiniⅠC,KunⅠC, as well as the critical effective crack length and the critical crack tip opening displacement, were evaluated. Based on the double-K fracture parameters above, the calculation model of equivalent strength for induced crack was established, thus the calculation method on its initiation, stable propagation and unstable fracture was ascertained. Moreover, the finite element simulation analysis of stress field in ShaPai arch dam and the on-site observational splaying points of induced crack at different altitudes validated the reliability of the model. Finally, crack inducer′s optimal setting in RCC arch dam was studied. It improves the design level of induced crack in RCC arch dam and satisfies the necessity of engineering practice.

DC System Modeling and AC/DC System Harmonic Calculation under Asymmetric Faults

The accurate DC system model is the key to fault analysis and harmonic calculation of AC/DC system. In this paper, a frequency domain analysis model of DC system is established, and based on it a unified fundamental frequency and harmonic iterative calculation method is proposed. The DC system model is derived considering the dynamic switching characteristic of converter and the steady-state response features of dc control system synchronously. And the proposed harmonic calculation method fully considers the AC/DC harmonic interaction and fault interaction under AC asymmetric fault condition. The method is used to the harmonic analysis and calculation of CIGRE HVDC system. Compared with those obtained by simulation using PSCAD/EMTDC software, the results show that the proposed model and method are accurate and effective, and provides the analysis basis of harmonic suppression, filter configuration and protection analysis in AC/DC system.

Simulation and Techno-Economic Performance of a Novel Charge Calculation and Melt Optimization Planning Model for Steel Making

Process algorithm, numerical model and techno-economic assessment of charge calculation and furnace bath optimization for target alloy for induction furnace-based steelmaking is presented in this study. The developed algorithm combines the make-to-order (MTO) and charge optimization planning (COP) of the steel melting shop in the production of target steel composition. Using a system-level approach, the unit operations involved in the melting process were analyzed with the purpose of initial charge calculation, prevailing alloy charge prediction and optimizing the sequence of melt chemistry modification. The model performance was established using real-time production data from a cast iron-based foundry with a 1- and 2-ton induction furnace capacity and a medium carbon-based foundry with a 10- and 15-ton induction furnace capacity. A simulation engine (CastMELT) was developed in Java IDE with a MySQL database for continuous interaction with changing process parameters to run the model for validation. The comparison between the model prediction and production results was analyzed for charge prediction, melt modification and ferroalloy optimization and possible cost savings. The model performance for elemental charge prediction and calculation purpose with respect to the charge input (at overall scrap meltdown) gave R-squared, Standard Error, Pearson correlation and Significance value of (0.934, 0.06, 0.97, 0.0003) for Carbon prediction, (0.962, 0.06, 0.98, 0.00009) for Silicon prediction, (0.999, 0.048, 0.999, 9E -11) for Manganese Prediction, and (0.997, 0.076, 0.999, 6E -7) for Chromium prediction respectively. Correlation analysis for melt modification (after charging of ferroalloy) using the model for after-alloying spark analysis compared with the target chemistry is at 99.82%. The results validate the suitability of the developed model as a functional system of induction furnace melting for combined charge calculation and melt optimization Techno-economic evaluation results showed that 0.98% - 0.25% ferroalloy saving per ton of melt is possible using the model. This brings about an annual production cost savings of 100,000 $/y in foundry A (medium carbon steel) and 20,000 $/y in foundry B (cast iron) on the use of different ferroalloy materials.

Numerical Calculation of Channel Dredging Volume Using 3D Digital Stratum Model

Prediction of channel dredging volume is critical for project cost estimation. However, many proposed approximate methods are not accurate. This paper presents a novel numerical method to accurately calculate the dredg- ing volume using a 3D stratum model (DSM) and a channel surface model. First, the 3D DSM is constructed rapidly yet accurately from non-uniform rational B-splines (NURBS) surfaces through Boolean operation between a physical terrain model and a stratum surfaces model. Then, a parametric channel surface model is built from cross-section data and a channel center line using code implemented in the VC++ programming language. Finally, the volumes of different types of physical stratums can be calculated automatically and hierarchically to determine the dredging volume. Practical application shows that the DSM method is more precise and faster compared to the section method, and that the implementation of the developed software provides an interactive graphical user interface and visual presentation.

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

Modeling Metal Binding Sites in Proteins by Quantum Chemical

Model for Anticipating Failures by Omission in Calculation Grids

Computer grids are infrastructures in which heterogeneous and distributed resources offer very high computing or storage performance. If they offer extreme computing performance, they are also subject to the appearance of many failures related to this type of architecture. While performing tasks, if the response time of a node in the system incomprehensibly exceeds the requirements of the specifications, the node experiences an omission failure. The task running in the failed node will be unavailable until the node resumes normal activity. Waiting not being a possible solution, many fault tolerance methods have been proposed. Despite this large number of fault tolerance methods on offer, computer grids are still prone to many failures by omission. In this work, a numerical study of the failures by omission which occur in the calculation grids during the execution of the tasks was carried out and a model allowing anticipating its failures was proposed with the formalism PDEVS (Parallel Discret EVent system Specification).

The Calculation Model for Operation Cost of Coal Resources Development Based on ANN

On the basis of analysis and selection of factors influencing operation cost of coal resources development, fuzzy set method and artificial neural network (ANN) were adopted to set up the classification analysis model of coal resources. The collected samples were classified by using this model. Meanwhile, the pattern recognition model for classifying of the coal resources was built according to the factors influencing operation cost. Based on the results achieved above, in the light of the theory of information diffusion, the calculation model for operation cost of coal resources development has been presented and applied in practice, showing that these models are reasonable.

Activity coefficient calculation model for NaAl(OH)_4-NaOH-H_2O system

Resorting to Debye-Hückel equation, the conception of the apparent dielectric constant ε′ of sodium aluminate solution is introduced. By supposing that all the influences are attributed to it, ε′ is successfully related to caustic ratio αK, concentration mNaOH, T and temperature T. Then an activity coefficient calculation model for NaAl（OH）4-NaOH-H2O system from 25℃ to 100℃ is established, which can be used in much wider αK and mNaOH, T ranges than those covered by the equilibrium solubility data.

Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model

In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.

Calculation of Al Zn diagram from central atoms model

A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter P α is proposed in this model, which equals to reciprocal of activity coefficient of α component, therefore, the new model can be understood easily. By this model, the Al Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.

Calculation of the Model of Coesite Inclusions and Analysis of Their Retrometamorphic Paths

The process and path of retrometamorphism of coesite have great significance to our understanding of the P-T tracks of the exhumation of ultrahigh-pressure metamorphic rocks. Most of the coesites in the eclogite from Shima, Anhui Province, the Dabie Mountains, China, are found degraded to quartz partly or wholly, with ruptures occurring in the shells, outside which include the coesite and quartz. According to the microscopic observation, the sample of coesite inclusion is composed of garnet, quartz and coesite, based on which we have built a three-shelled composite sphere model to compute the transition of coesite. Based on the crystal growth formulas and pressure conditions of the ruptures in the garnet, we have calculated the radius of the quartz sphere, which depends on temperature, and eventually drawn the different retrometamorphic paths for different retrometamorphism rates.

A note on localized transition in the spin-boson model by variational calculation

We present mathematical analyses of the evolution of solutions of the self-consistent equation derived from variational calculations based on the displaced-oscillator-state and the displaced-squeezed-state in spin-boson model at a zero temperature and a finite temperature. It is shown that, for a given spectral function defined as J（w） = π∑k Ck^2 = π/2αw^8w^1-s, there exists a universal sc for both kinds of variational schemes, the localized transition happens only for 2 s ≤ sc, moreover, the localized transition is discontinuous for s 〈 sc while a continuous transition always occurs when s = sc. At T = 0, we have sc = 1, while for T ≠ 0, sc = 2 which indicates that the localized transition in super-Ohmic case still exists, manifesting that the result is in discrepancy with the existing result.

Calculation model of mass action concentrations for CaO-MgO-SiO_2-Al_2O_3-Cr_2O_3 penta-slag

Two calculation models of mass action concentrations for CaO-MgO-SiO_2-Al_2O_3-Cr_2O_3 penta-slag was presented whether 3CaO·Cr_2O_3·3SiO_2 was existence or not.Equilibrium mass action concentration of each element structure was gained.And the models results were compared with experimental activity.The final results illustrated the model without 3CaO·Cr_2O_33SiO_2 was suit for reality.The model could response the element structure of slag as well.

Unified Coordinate System Model for Performance Calculation of Fix-pad Journal Bearing with Different Pad Preload

Traditional model for calculating performance parameters of a fix-pad journal bearing leads to heavy workload, complicated and changeable formulae as it requires deriving various geometric formulae with different bearing types such as circular journal bearing, dislocated bearing and elliptic bearing. Considering different pad preload ratios for non-standard bearing, traditional model not only becomes more complicated but also reduces scalability and promotion of the calculation programs. For the complexly case of traditional model while dealing with various fix-pad journal bearings, unified coordinate system model for performance calculation of fix-pad journal bearing is presented in the paper. A unified coordinate system with the bearing center at the origin is established, and the eccentricity ratio and attitude angle of axis relative to each pad are calculated through the coordinates of journal center and each pad center. Geometric description of fix-pad journal bearing is unified in this model, which can be used for both various standard bearing and non-standard bearing with different pad preload ratios. Validity of this model is verified with an elliptical bearing. Performance of a non-standard four-leaf bearing with different pad preload ratios is calculated based on this model. The calculation result shows that increasing preload ratio of the pad 1 and keeping that of the left three pads constant improves bearing capacity, stiffness and damping coefficients. This research presents a unified coordinate system model unifies performance calculation of fix-pad journal bearings and studied a non-standard four-leaf bearing with different pad preload ratios, the research conclusions provides new methods for performance calculation of fix-pad journal bearings.