N-Calculator与NUFER耦合模型和组合预测法在食物氮足迹研究中的应用

为改善传统N-Calculator模型的局限性,加强食物氮足迹核算结果与环境影响的联系,提高活性氮管理预见性,将N-Calculator模型与食物系统养分流动(Nutrient Flows in Food Chains,Environment and Resources Use,NUFER)模型进行耦合,以估算我国2001—2020年人均食物氮足迹,建立组合预测体系。结果显示:2001—2020年,我国人均食物氮足迹由16.04 kg N/a增至18.95 kg N/a;全国食物氮足迹由20.47 Mt N/a增至26.76 Mt N/a;居民饮食结构正由以植物源食物为主的低氮消费模式转向以动物源食物为主的高氮消费模式;食物生产过程产生的活性氮的最终归宿为大气(64.3%)、水体和深层土壤(35.7%);我国食物氮足迹与人均可支配收入、城市化率、动物源食物消费氮占比呈正相关性,与恩格尔系数呈负相关性;未来10 a我国人均食物氮足迹呈增长趋势,预测结果显示年均增幅为0.16 kg N/a。

Progress in Mechanical Modeling of Implantable Flexible Neural Probes

Implanted neural probes can detect weak discharges of neurons in the brain by piercing soft brain tissue,thus as important tools for brain science research,as well as diagnosis and treatment of brain diseases.However,the rigid neural probes,such as Utah arrays,Michigan probes,and metal microfilament electrodes,are mechanically unmatched with brain tissue and are prone to rejection and glial scarring after implantation,which leads to a significant degradation in the signal quality with the implantation time.In recent years,flexible neural electrodes are rapidly developed with less damage to biological tissues,excellent biocompatibility,and mechanical compliance to alleviate scarring.Among them,the mechanical modeling is important for the optimization of the structure and the implantation process.In this review,the theoretical calculation of the flexible neural probes is firstly summarized with the processes of buckling,insertion,and relative interaction with soft brain tissue for flexible probes from outside to inside.Then,the corresponding mechanical simulation methods are organized considering multiple impact factors to realize minimally invasive implantation.Finally,the technical difficulties and future trends of mechanical modeling are discussed for the next-generation flexible neural probes,which is critical to realize low-invasiveness and long-term coexistence in vivo.

Study on theoretical model for electrical explosion resistivity of Al/Ni reactive multilayer foil

Al/Ni reactive multilayer foil(RMF)possesses excellent comprehensive properties as a promising substitute for traditional Cu bridge.A theoretical resistivity model of Al/Ni RMF was developed to guide the optimization of EFIs.Al/Ni RMF with different bilayer thicknesses and bridge dimensions were prepared by MEMS technology and electrical explosion tests were carried out.According to physical and chemical reactions in bridge,the electrical explosion process was divided into 5 stages:heating of condensed bridge,vaporization and diffusion of Al layers,intermetallic combination reaction,intrinsic explosion,ionization of metal gases,which are obviously shown in measured voltage curve.Effects of interface and grain boundary scattering on the resistivity of film metal were considered.Focusing on variations of substance and state,the resistivity was developed as a function of temperature at each stage.Electrical explosion curves were calculated by this model at different bilayer thicknesses,bridge dimensions and capacitor voltages,which showed an excellent agreement with experimental ones.

Wetting front migration model of ion-adsorption rare earth during the multi-hole unsaturated liquid injection

In the process of ion-adsorption rare earth ore leaching,the migration characteristics of the wetting front in multi-hole injection holes and the influence of wetting front intersection effect on the migration distance of wetting fronts are still unclear.Besides,wetting front migration distance and leaching time are usually required to optimize the leaching process.In this study,wetting front migration tests of ionadsorption rare earth ores during the multi-hole fluid injection(the spacing between injection holes was 10 cm,12 cm and 14 cm)and single-hole fluid injection were completed under the constant water head height.At the pre-intersection stage,the wetting front migration laws of ion-adsorption rare earth ores during the multi-hole fluid injection and single-hole fluid injection were identical.At the postintersection stage,the intersection accelerated the wetting front migration.By using the Darcy’s law,the intersection effect of wetting fronts during the multi-hole liquid injection was transformed into the water head height directly above the intersection.Finally,based on the Green-Ampt model,a wetting front migration model of ion-adsorption rare earth ores during the multi-hole unsaturated liquid injection was established.Error analysis results showed that the proposed model can accurately simulate the infiltration process under experimental conditions.The research results enrich the infiltration law and theory of ion-adsorption rare earth ores during the multi-hole liquid injection,and this study provides a scientific basis for optimizing the liquid injection well pattern parameters of ion-adsorption rare earth in situ leaching in the future.

Modeling load distribution for rural photovoltaic grid areas using image recognition

Expanding photovoltaic(PV)resources in rural-grid areas is an essential means to augment the share of solar energy in the energy landscape,aligning with the“carbon peaking and carbon neutrality”objectives.However,rural power grids often lack digitalization;thus,the load distribution within these areas is not fully known.This hinders the calculation of the available PV capacity and deduction of node voltages.This study proposes a load-distribution modeling approach based on remote-sensing image recognition in pursuit of a scientific framework for developing distributed PV resources in rural grid areas.First,houses in remote-sensing images are accurately recognized using deep-learning techniques based on the YOLOv5 model.The distribution of the houses is then used to estimate the load distribution in the grid area.Next,equally spaced and clustered distribution models are used to adaptively determine the location of the nodes and load power in the distribution lines.Finally,by calculating the connectivity matrix of the nodes,a minimum spanning tree is extracted,the topology of the network is constructed,and the node parameters of the load-distribution model are calculated.The proposed scheme is implemented in a software package and its efficacy is demonstrated by analyzing typical remote-sensing images of rural grid areas.The results underscore the ability of the proposed approach to effectively discern the distribution-line structure and compute the node parameters,thereby offering vital support for determining PV access capability.

Calculating models on surface tension of RE_2O_3-Mg O-SiO_2(RE=La, Nd, Sm, Gd and Y) melts

A thermodynamic model was developed for determining the surface tension of RE2O3-MgO-SiO2(RE=La, Nd, Sm, Gd and Y) melts considering the ionic radii of the components and Butler's equation. The temperature and composition dependence of the surface tensions in molten RE2O3-MgO-SiO2 slag systems was reproduced by the present model using surface tensions and molar volumes of pure oxides, as well as the anionic and cationic radii of the melt components. The iso-surface tension lines of La2O3-MgO-SiO2 slag melt at 1873 K were calculated and the effects of slag composition on the surface tension were also investigated. The surface tensions of La2O3, Gd2O3, Nd2O3 and Y2O3 at 1873 K were evaluated as 686, 677, 664 and 541 m N/m, respectively. The surface tension of pure rare earth oxide melts linearly decreases with increasing cationic field strength, except for Y2O3 oxide, while Y2O3 has a much weaker surface tension. The evaluated results of the surface tension show good agreements with literature data, and the mean deviation of the present model is found to be 1.05% at 1873 K.

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%.

Research on spatial calculating analysis model of landuse change

The spatial calculating analysis model is based on GIS overlay. It will compartmentalize the land in research district into three spatial types: unchanged parts, converted parts and increased parts. By this method we can evaluate the numerical model and dynamic degree model for calculating land-use change rates. Furthermore, the paper raises the possibility of revising the calculating analysis model of spatial information in order to predicate more precisely the dynamic changing level of all types of land uses. In the most concrete terms, the model is used mainly to understand changed area and changed rates (increasing or decreasing) of different land types from microcosmic angle and establish spatial distribution and spatio-temporal principles of the changing urban lands. And we will try to find out why the situation can take place by combining social and economic situations. The result indicates the calculating analysis model of spatial information can derive more accurate procedure of spatial transference and increase of all kinds of land from microcosmic angle. By this model and technology we can conduct the research of land-use spatio-temporal structure evolution more systematically and more deeply, and can obtain a satisfactory result. The result will benefit the rational planning and management of urban land use of developed coastal areas in China in the future.

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.

The Calculating Model of Structural Analysis for Jack-Up Rig Legs

The selection or establishment of structural calculating model is a matter of primary importance in structural analysis. By analysing the irrationality of the calculating models used by some research organizations at home and abroad in structural analyses for truss jack-up rig legs, this paper introduces a new calculation model which is more reasonable. This model can simulate better the load situation of a rig reflecting more precisely the effects of the leg loads caused by the spring support of gearboxes of the jacking system and the secondary bending moment raised by hull displacement under extreme conditions. The rig conversion was completed in 1989. In July 1991 the rig safely stood the frontal hitting of Typhoon with the wind speed of 52 m / s, which shows that the checking on the structure is correct.

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

Calculated Porosity of Volcanic Reservoir in Wangjiatun of the Northern Songliao Basin, NE China

In Wangjiatun area of the Northern Songliao Basin, reservoir space can be divided into three types: primary pore, secondary pore and fissure according to their origins,which can be subdivided into eight subtypes: macro-vesicule, shrank primary vesicule, alteration pore, groundmass corrosive pore, normal structural crack, corrosive structural crack, filled structural crack and groundmass shrank crack according to texture and origin of the pore space. It has characteristic of double pore medium. Volcanic porosities of small diameter samples (with diameter of ca. 2.5 cm) and large diameter samples (with diameter of ca. 21.5 cm) were tested in accordance with the characteristic of volcanic reservoir space. Volcanic porosities for small diameter samples correspond with matrix porosities and those of large diameter samples correspond with total porosities including matrix and fractured porosities. Models of the calculated porosity by acoustic wave or density of volcanic reservoir are established in view of those measured data. Comparison of calculated and measuredporosities shows that precision of calculated porosities is lower for rhyolite and tuffites, and higher for basaltand andesite. Relative errors of calculated porosities by model of large diameter samples are lower than those of small diameter samples, i. e. precision of the former is higher than that of the later.