Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

The algebraic energy method （AEM） is applied to the study of molecular dissociation energy De for 11 heteronuclear diatomic electronic states： a^3∑＋ state of NaK, X^2∑＋ state of XeBr, X^2∑＋ state of HgI, X^1∑＋ state of LiH, A3∏（1） state of IC1, X^1∑＋ state of CsH, A（3∏1） and B0＋（3∏） states of CIF, 21∏ state of KRb, X^1∑＋ state of CO, and c^3∑＋ state of NaK molecule. The results show that the values of De computed by using the AEM are satisfactorily accurate compared with experimental ones. The AEM can serve as an economic and useful tool to generate a reliable De within an allowed experimental error for the electronic states whose molecular dissociation energies are unavailable from the existing literature

Implementation of a particle-in-cell method for the energy solver in 3D spherical geodynamic modeling

The thermal evolution of the Earth’s interior and its dynamic effects are the focus of Earth sciences.However,the commonly adopted grid-based temperature solver is usually prone to numerical oscillations,especially in the presence of sharp thermal gradients,such as when modeling subducting slabs and rising plumes.This phenomenon prohibits the correct representation of thermal evolution and may cause incorrect implications of geodynamic processes.After examining several approaches for removing these numerical oscillations,we show that the Lagrangian method provides an ideal way to solve this problem.In this study,we propose a particle-in-cell method as a strategy for improving the solution to the energy equation and demonstrate its effectiveness in both one-dimensional and three-dimensional thermal problems,as well as in a global spherical simulation with data assimilation.We have implemented this method in the open-source finite-element code CitcomS,which features a spherical coordinate system,distributed memory parallel computing,and data assimilation algorithms.

Energy Stable Nodal DG Methods for Maxwell’s Equations of Mixed-Order Form in Nonlinear Optical Media

In this work,we develop energy stable numerical methods to simulate electromagnetic waves propagating in optical media where the media responses include the linear Lorentz dispersion,the instantaneous nonlinear cubic Kerr response,and the nonlinear delayed Raman molecular vibrational response.Unlike the first-order PDE-ODE governing equations considered previously in Bokil et al.(J Comput Phys 350:420–452,2017)and Lyu et al.(J Sci Comput 89:1–42,2021),a model of mixed-order form is adopted here that consists of the first-order PDE part for Maxwell’s equations coupled with the second-order ODE part(i.e.,the auxiliary differential equations)modeling the linear and nonlinear dispersion in the material.The main contribution is a new numerical strategy to treat the Kerr and Raman nonlinearities to achieve provable energy stability property within a second-order temporal discretization.A nodal discontinuous Galerkin(DG)method is further applied in space for efficiently handling nonlinear terms at the algebraic level,while preserving the energy stability and achieving high-order accuracy.Indeed with d_(E)as the number of the components of the electric field,only a d_(E)×d_(E)nonlinear algebraic system needs to be solved at each interpolation node,and more importantly,all these small nonlinear systems are completely decoupled over one time step,rendering very high parallel efficiency.We evaluate the proposed schemes by comparing them with the methods in Bokil et al.(2017)and Lyu et al.(2021)(implemented in nodal form)regarding the accuracy,computational efficiency,and energy stability,by a parallel scalability study,and also through the simulations of the soliton-like wave propagation in one dimension,as well as the spatial-soliton propagation and two-beam interactions modeled by the two-dimensional transverse electric(TE)mode of the equations.

Research on Regulation Method of Energy Storage System Based on Multi-Stage Robust Optimization

To address the scheduling problem involving energy storage systems and uncertain energy,we propose a method based on multi-stage robust optimization.This approach aims to regulate the energy storage system by using a multi-stage robust optimal control method,which helps overcome the limitations of traditional methods in terms of time scale.The goal is to effectively utilize the energy storage power station system to address issues caused by unpredictable variations in environmental energy and fluctuating load throughout the day.To achieve this,a mathematical model is constructed to represent uncertain energy sources such as photovoltaic and wind power.The generalized Benders Decomposition method is then employed to solve the multi-stage objective optimization problem.By decomposing the problem into a series of sub-objectives,the system scale is effectively reduced,and the algorithm’s convergence ability is improved.Compared with other algorithms,the multi-stage robust optimization model has better economy and convergence ability and can be used to guide the power dispatching of uncertain energy and energy storage systems.

Determination of energy coupling to material in laser welding by a novel “sandwich” method

A mathematical energy coupling model was developed to analyze the light transmission in the keyhole and energy distribution on the keyhole wall.The main characteristics of the model include：1） a prototype of the keyhole and the inverse Bremsstrahlung absorption coefficient in the keyhole plasma are obtained from the experiments;2） instead of using a parallel incident beam,a focused laser beam with real Gaussian intensity distribution is implemented;3） both Fresnel absorption and inverse Bremsstrahlung absorption during multiple reflections are considered.The calculation results show that the distribution of absorbed laser intensity by the keyhole wall is not uniform.The maximum laser energy is absorbed by the bottom of the keyhole,although no rays irradiate directly onto the bottom.According to analysis of beam focusing characteristics,the location of the focal plane plays a more important role in the laser energy absorption by the front wall than by the rear wall.

Equivalent Method of Integrated Power Generation System of Wind, Photovoltaic and Energy Storage in Power Flow Calculation and Transient Simulation

针对工程实际开展风光储联合发电系统在潮流计算和机电暂态仿真中的等值方法研究，旨在为大容量风光储联合发电系统的并网仿真分析奠定基础。将潮流计算的等值分为单元机组和集电系统2部分来研究。单元机组等值采用根据不同控制模式选取不同节点类型的方法，针对集电系统等值提出基于损耗不变原则的方法。等值模型和详细模型的算例结果表明，潮流计算等值方法具有较好的精度。在机电暂态仿真动态等值中，基于实际工程计算的最严重工况分析原则，提出运行在满出力点的单机“倍乘”等值模型，为工程计算中的风光储联合发电系统动态等值提供了一种解决方案。

Improved Calculation of Vibrational Energy Levels in F2 Molecule using the RKR Method

The potential energy curves of the ground state X2∑＋g of the fluorine molecule have been accurately reconstructed employing the Ryderg-Klein-Rees （RKR） method extrapolated by a Hulburt and Hirschfeler potential function for longer internuclear distances. Solving the corresponding radial one-dimensional Schr？dinger equation of nuclear motion yields 22 bound vibrational levels above v=0. The comparison of these theoretical levels with the experimental data yields a mean absolute deviation of about 7.6 cm^-1 over the 23 levels. The highest vibrational level energy obtained using this method is 13308.16 cm？1 and the relative deviation compared with the experimental datum of 13408.49 cm^-1 is only 0.74%. The value from our method is much closer and more accurate than the value obtained by the quantum mechanical ab initio method by Bytautas. The reported agreement of the vibrational levels and dissociation energy with experiment is contingent upon the potential energy curve of the F2 ground state.

Estimation of quality factors by energy ratio method

The quality factor Q, which reflects the energy attenuation of seismic waves in subsurface media, is a diagnostic tool for hydrocarbon detection and reservoir characterization. In this paper, we propose a new Q extraction method based on the energy ratio before and after the wavelet attenuation, named the energy-ratio method（ERM）. The proposed method uses multipoint signal data in the time domain to estimate the wavelet energy without invoking the source wavelet spectrum, which is necessary in conventional Q extraction methods, and is applicable to any source wavelet spectrum; however, it requires high-precision seismic data. Forward zero-offset VSP modeling suggests that the ERM can be used for reliable Q inversion after nonintrinsic attenuation（geometric dispersion, refl ection, and transmission loss） compensation. The application to real zero-offset VSP data shows that the Q values extracted by the ERM and spectral ratio methods are identical, which proves the reliability of the new method.

Base force element method of complementary energy principle for large rotation problems

Using the concept of the base forces, a new finite element method （base force element method, BFEM） based on the complementary energy principle is presented for accurate modeling of structures with large displacements and large rotations. First, the complementary energy of an element is described by taking the base forces as state variables, and is then separated into deformation and rotation parts for the case of large deformation. Second, the control equations of the BFEM based on the complementary energy principle are derived using the Lagrange multiplier method. Nonlinear procedure of the BFEM is then developed. Finally, several examples are analyzed to illustrate the reliability and accuracy of the BFEM.

Calculating Method for Influence of Material Flow on Energy Consumption in Steel Manufacturing Process

From the viewpoint of systems energy conservation, the influences of material flow on its energy consumption in a steel manufacturing process is an important subject. The quantitative analysis of the relationship between material flow and the energy intensity is useful to save energy in steel industry. Based on the concept of standard material flow diagram, all possible situations of ferric material flow in steel manufacturing process are analyzed. The expressions of the influence of material flow deviated from standard material flow diagram on energy consumption are put forward.

Self-adaptive one-dimensional nonlinear finite element method based on element energy projection method

The element energy projection （EEP） method for computation of super- convergent resulting in a one-dimensional finite element method （FEM） is successfully used to self-adaptive FEM analysis of various linear problems, based on which this paper presents a substantial extension of the whole set of technology to nonlinear problems. The main idea behind the technology transfer from linear analysis to nonlinear analysis is to use Newton＇s method to linearize nonlinear problems into a series of linear problems so that the EEP formulation and the corresponding adaptive strategy can be directly used without the need for specific super-convergence formulation for nonlinear FEM. As a re- sult, a unified and general self-adaptive algorithm for nonlinear FEM analysis is formed. The proposed algorithm is found to be able to produce satisfactory finite element results with accuracy satisfying the user-preset error tolerances by maximum norm anywhere on the mesh. Taking the nonlinear ordinary differential equation （ODE） of second-order as the model problem, this paper describes the related fundamental idea, the imple- mentation strategy, and the computational algorithm. Representative numerical exam- ples are given to show the efficiency, stability, versatility, and reliability of the proposed approach.

Modeling Method for Flexible Energy Behaviors in CNC Machining Systems

CNC machining systems are inevitably confronted with frequent changes in energy behaviors because they are widely used to perform various machining tasks. It is a challenge to understand and analyze the flexible energy behaviors in CNC machining systems. A method to model flexible energy behaviors in CNC machining systems based on hierarchical objected-oriented Petri net(HOONet) is proposed. The structure of the HOONet is constructed of a high-level model and detail models. The former is used to model operational states for CNC machining systems, and the latter is used to analyze the component models for operational states. The machining parameters having great impacts on energy behaviors in CNC machining systems are declared with the data dictionary in HOONet models. A case study based on a CNC lathe is presented to demonstrate the proposed modeling method. The results show that it is effective for modeling flexible energy behaviors and providing a fine-grained description to quantitatively analyze the energy consumption of CNC machining systems.

Thermodynamic analysis of combined reforming process using Gibbs energy minimization method: In view of solid carbon formation

Thermodynamic analysis was applied to study combined partial oxidation and carbon dioxide reforming of methane in view of carbon formation. The equilibrium calculations employing the Gibbs energy minimization were performed upon wide ranges of pressure （1-25 atm）, temperature （600-1300 K）, carbon dioxide to methane ratio （0-2） and oxygen to methane ratio （0-1）. The thermodynamic results were compared with the results obtained over a Ru supported catalyst. The results revealed that by increasing the reaction pressure methane conversion decreased. Also it was found that the atmospheric pressure is the preferable pressure for both dry reforming and partial oxidation of methane and increasing the temperature caused increases in both activity of carbon and conversion of methane. The results clearly showed that the addition of O2 to the feed mixture could lead to a reduction of carbon deposition.

Analysis of the integrated test and evaluation methods of tidal current energy generating devices in the offshore testing site

Actual sea condition testing and inspection and evaluation method research are carried out for tidal energy devices to provide scientific and effective technical support for the ocean high-tech achievement transformation and marine renewable energy development. By analyzing three core indicators, including the power output characteristics of the tidal current device, the generating capacity, energy conversion efficiency, proposed the test contents and evaluation methods of indicators are proposed in this paper; and based on the research of wind farms, power quality testing and assessment methods of offshore tidal energy device are proposed; given the security access to the test contents of tidal current energy device, tidal current energy device running conditions in the testing ground are comprehensively assessed.

APPLICATION OF PARAMETRIC DERIVATION METHOD TO THE CALCULATION OF PEIERLS ENERGY AND PEIERLS STRESS IN LATTICE THEORY

Applying the parametric derivation method, Peierls energy and Peierls stress are calculated with a non-sinusoidal force law in the lattice theory, while the results obtained by the power-series expansion according to sinusoidal law can be deduced as a limiting case of non- sinusoidal law. The simplified expressions of Peierls energy and Peierls stress are obtained for the limit of wide and narrow. Peierls energy and Peierls stress decrease monotonically with the factor of modification of force law. Present results can be used expediently for prediction of the correct order of magnitude of Peierls stress for materials.

Energy method and numerical simulation of critical backfillheight in non-pillar continuous mining

Non-pillar continuous mining(NPCM) is regarded as a high-efficient, high-level and one-step mining technology, which can be divided into two substopes. Back fill stability status in substope I, which directly influence the loss rate and dilution rate, etc, will determine whether the experimental research is successful or not. By employing energy method of limit analysis and finite element numerical simulation method, the critical backfill height was determined under the prerequisite condition of its stability, which put forward theoretical basis for reasonable and correct selection of backfill’s parameters. The result showed that the first backfill could not keep stable for NPCM, while the other was able to.

Discussion on the Assessment Method of Wind Energy Resources by Using Regional Meteorological Data

The exploitation status of wind energy resources was analyzed, and the distribution of wind energy resources and regional meteorological stations were introduced, and then the assessment method of wind energy resources by using data from regional meteorological station was studied taking Huangjin Regional Meteorological Station in Xinning County in Hunan Province for example, besides, corresponding software was compiled. By means of SQL database and program, the method was used simply and easily and had positive meaning for the development of wind energy resources and excavation of wind farm in inland region.

SELF-ADAPTIVE STRATEGY FOR ONE-DIMENSIONAL FINITE ELEMENT METHOD BASED ON ELEMENT ENERGY PROJECTION METHOD

Based on the newly-developed element energy projection （EEP） method for computation of super-convergent results in one-dimensional finite element method （FEM）, the task of self-adaptive FEM analysis was converted into the task of adaptive piecewise polynomial interpolation. As a result, a satisfactory FEM mesh can be obtained, and further FEM analysis on this mesh would immediately produce an FEM solution which usually satisfies the user specified error tolerance. Even though the error tolerance was not completely satisfied, one or two steps of further local refinements would be sufficient. This strategy was found to be very simple, rapid, cheap and efficient. Taking the elliptical ordinary differential equation of second order as the model problem, the fundamental idea, implementation strategy and detailed algorithm are described. Representative numerical examples are given to show the effectiveness and reliability of the proposed approach.

Ground-state energy of beryllium atom with parameter perturbation method

We present a perturbation study of the ground-state energy of the beryllium atom by incorporating double parameters in the atom＇s Hamiltonian. The eigenvalue of the Hamiltonian is then solved with a double-fold perturbation scheme,where the spin-spin interaction of electrons from different shells of the atom is also considered. Calculations show that the obtained ground-state energy is in satisfactory agreement with experiment. It is found that the Coulomb repulsion of the inner-shell electrons enhances the effective nuclear charge seen by the outer-shell electrons, and the shielding effect of the outer-shell electrons to the nucleus is also notable compared with that of the inner-shell electrons.

Solving Energy Levels for SSH Hamiltonian Describing Peierls Phase Transition by Virtue of Invariant Eigen-operator Method

We show that the recently proposed invariant eigen-operator （IEO） method can be successfully applied to solving energy levels for SSH Hamiltonian describing Peierls phase transition. The electronic energy band of compound lattice is also studied by IEO method.