Molecular Dynamics, Diffusion Coefficients and Activation Energy of the Electrolyte (Anode) in Lithium (Li and Li+), Sodium (Na and Na+) and Potassium (K and K+)

This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship DLi > DNa > Dk for the multiplicity 6*6*6, while for the activation energy the order is reversed.

Stability and accuracy of central difference method for real-time dynamic substructure testing considering mass participation coefficient

For real-time dynamic substructure testing(RTDST),the influence of the inertia force of fluid specimens on the stability and accuracy of the integration algorithms has never been investigated.Therefore,this study proposes to investigate the stability and accuracy of the central difference method(CDM)for RTDST considering the specimen mass participation coefficient.First,the theory of the CDM for RTDST is presented.Next,the stability and accuracy of the CDM for RTDST considering the specimen mass participation coefficient are investigated.Finally,numerical simulations and experimental tests are conducted for verifying the effectiveness of the method.The study indicates that the stability of the algorithm is affected by the mass participation coefficient of the specimen,and the stability limit first increases and then decreases as the mass participation coefficient increases.In most cases,the mass participation coefficient will increase the stability limit of the algorithm,but in specific circumstances,the algorithm may lose its stability.The stability and accuracy of the CDM considering the mass participation coefficient are verified by numerical simulations and experimental tests on a three-story frame structure with a tuned liquid damper.

Design of Ocean Floating Structures:Prediction of Hydrodynamic Coefficients

[Introduction] Accurate calculation of the hydrodynamic coefficients for floating structures and the investigation of the flow field distribution around floating bodies on the marine free surface are essential for improving the engineering design and application of marine structures.[Method] This study utilized the computational fluid dynamics(CFD) approach and the Reynolds Averaged NavierStokes(RANS) method and considered the effects of viscosity and free surface interactions on the hydrodynamic behavior of floating structures.By employing the dynamic mesh technique,this study simulated the periodic movements of simplified three-dimensional(3D)shapes:spheres,cylinders,and cubes,which were representative of complex marine structures.The volume of fluid(VOF) method was leveraged to accurately track the nonlinear behavior of the free surface.In this analysis,the added mass and damping coefficients for the fundamental modes of motion(surge,heave,and roll) were calculated across a spectrum of frequencies,facilitating the fast determination of hydrodynamic forces and moments exerted on floating structures.[Result] The results of this study are not only consistent with the results of the 3D potential flow theory but also further reflect the role of viscosity.This method can be used for precise calculation of the hydrodynamic coefficients of floating structures and for describing the flow field of such structures in motion on a free surface.[Conclusion] The methodology presented goes beyond the traditional potential flow approach.

Molecular Dynamics, Physical Properties, Diffusion Coefficients and Activation Energy of the Lithium Oxide (Li-O) and Sodium Oxide (Na-O) Electrolyte (Cathode)

This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O.

Assessment of Operational Performance in a Power Generation/Selling Integrated Company Using a Dynamic Proportional Adjustment Coefficient

Currently,the operational performance assessment system in the power market primarily focuses on power generation and electricity retail companies,lacking a system tailored to the operational characteristics of power generation/selling integrated companies.Therefore,this article proposes an assessment index system for assessing the operational performance of a power generation/selling integrated company,encompassing three dimensions:basic capacity,development potential,and external environment.A dynamic proportional adjustment coefficient is designed,along with a subjective and objective weighting model for assessment indexes based on a combined weightingmethod.Subsequently,the operational performance of an integrated company is assessed using extension theory.The results in the case study demonstrate the feasibility and effectiveness of the proposed dynamic proportional adjustment coefficient.

Thermomechanical Dynamics (TMD) and Bifurcation-Integration Solutions in Nonlinear Differential Equations with Time-Dependent Coefficients

The new independent solutions of the nonlinear differential equation with time-dependent coefficients (NDE-TC) are discussed, for the first time, by employing experimental device called a drinking bird whose simple back-and-forth motion develops into water drinking motion. The solution to a drinking bird equation of motion manifests itself the transition from thermodynamic equilibrium to nonequilibrium irreversible states. The independent solution signifying a nonequilibrium thermal state seems to be constructed as if two independent bifurcation solutions are synthesized, and so, the solution is tentatively termed as the bifurcation-integration solution. The bifurcation-integration solution expresses the transition from mechanical and thermodynamic equilibrium to a nonequilibrium irreversible state, which is explicitly shown by the nonlinear differential equation with time-dependent coefficients (NDE-TC). The analysis established a new theoretical approach to nonequilibrium irreversible states, thermomechanical dynamics (TMD). The TMD method enables one to obtain thermodynamically consistent and time-dependent progresses of thermodynamic quantities, by employing the bifurcation-integration solutions of NDE-TC. We hope that the basic properties of bifurcation-integration solutions will be studied and investigated further in mathematics, physics, chemistry and nonlinear sciences in general.

Role of disturbance coefficient in monitoring and treatment of cerebral edema in patients with cerebral hemorrhage

BACKGROUND At present,the conventional methods for diagnosing cerebral edema in clinical practice are computed tomography(CT)and magnetic resonance imaging(MRI),which can evaluate the location and degree of peripheral cerebral edema,but cannot realize quantification.When patients have symptoms of diffuse cerebral edema or high cranial pressure,CT or MRI often suggests that cerebral edema is lagging and cannot be dynamically monitored in real time.Intracranial pressure monitoring is the gold standard,but it is an invasive operation with high cost and complications.For clinical purposes,the ideal cerebral edema monitoring should be non-invasive,real-time,bedside,and continuous dynamic monitoring.The dis-turbance coefficient(DC)was used in this study to dynamically monitor the occu-rrence,development,and evolution of cerebral edema in patients with cerebral hemorrhage in real time,and review head CT or MRI to evaluate the development of the disease and guide further treatment,so as to improve the prognosis of patients with cerebral hemorrhage.AIM To offer a promising new approach for non-invasive adjuvant therapy in cerebral edema treatment.METHODS A total of 160 patients with hypertensive cerebral hemorrhage admitted to the Department of Neurosurgery,Second Affiliated Hospital of Xi’an Medical University from September 2018 to September 2019 were recruited.The patients were randomly divided into a control group(n=80)and an experimental group(n=80).Patients in the control group received conventional empirical treatment,while those in the experimental group were treated with mannitol dehydration under the guidance of DC.Subsequently,we compared the two groups with regards to the total dosage of mannitol,the total course of treatment,the incidence of complications,and prognosis.RESULTS The mean daily consumption of mannitol,the total course of treatment,and the mean hospitalization days were 362.7±117.7 mL,14.8±5.2 days,and 29.4±7.9 in the control group and 283.1±93.6 mL,11.8±4.2 days,and 23.9±8.3 in the experimental group(P<0.05).In the control group,there were 20 patients with pulmonary infection(25%),30 with electrolyte disturbance(37.5%),20 with renal impairment(25%),and 16 with stress ulcer(20%).In the experimental group,pulmonary infection occurred in 18 patients(22.5%),electrolyte disturbance in 6(7.5%),renal impairment in 2(2.5%),and stress ulcers in 15(18.8%)(P<0.05).According to the Glasgow coma scale score 6 months after discharge,the prognosis of the control group was good in 20 patients(25%),fair in 26(32.5%),and poor in 34(42.5%);the prognosis of the experimental group was good in 32(40%),fair in 36(45%),and poor in 12(15%)(P<0.05).CONCLUSION Using DC for non-invasive dynamic monitoring of cerebral edema demonstrates considerable clinical potential.It reduces mannitol dosage,treatment duration,complication rates,and hospital stays,ultimately lowering hospital-ization costs.Additionally,it improves overall patient prognosis,offering a promising new approach for non-invasive adjuvant therapy in cerebral edema treatment.

Role of variation coefficient of stone density in determining success of shock wave lithotripsy in urinary calculi

BACKGROUND Various stone factors can affect the net results of shock wave lithotripsy(SWL).Recently a new factor called variation coefficient of stone density(VCSD)is being considered to have an impact on stone free rates.AIM To assess the role of VCSD in determining success of SWL in urinary calculi.METHODS Charts review was utilized for collection of data variables.The patients were subjected to SWL,using an electromagnetic lithotripter.Mean stone density(MSD),stone heterogeneity index(SHI),and VCSD were calculated by generating regions of interest on computed tomography(CT)images.Role of these factors were determined by applying the relevant statistical tests for continuous and categorical variables and a P value of<0.05 was gauged to be statistically significant.RESULTS There were a total of 407 patients included in the analysis.The mean age of the subjects in this study was 38.89±14.61 years.In total,165 out of the 407 patients could not achieve stone free status.The successful group had a significantly lower stone volume as compared to the unsuccessful group(P<0.0001).Skin to stone distance was not dissimilar among the two groups(P=0.47).MSD was significantly lower in the successful group(P<0.0001).SHI and VCSD were both significantly higher in the successful group(P<0.0001).CONCLUSION VCSD,a useful CT based parameter,can be utilized to gauge stone fragility and hence the prediction of SWL outcomes.

Dynamic Variation and Simulation of Extinction Coefficient of Corn Population

[Objective] The aim was to study the dynamic variation of extinction coefficient of corn population, so as to improve the accuracy of assessment on net primary productivity （NPP） or yield. [Method] Based on the data of photosynthetic active radiation and leaf area index during corn growing season （from May to September） in 2006, observed in Jinzhou observation station of corn farmland ecosystem, China Meteorological Administration, the dynamic variation of extinction coefficient of corn population was analyzed. [Result] There was a great daily variation in the extinction coefficient of corn population during growing season, and the maximum value appeared from 7：00 to 9：00 and from 15：00 to 17：00, while the minimum could be found around 12：00, but the amplitude of variation decreased in tasseling stage. On a large time scale （5 d）, there was a parabolic relationship between extinction coefficient （K） and leaf area index （LAI）, with determination coefficient R2 of 0.960 7. The simulation equation of extinction coefficient, based on the sun elevation angle or leaf area index, had poor accuracy at various time during growing season, so a new dynamic model of extinction coefficient was established, namely K=λ（0.784 8-0.001 6θ）（0.154 8LAI2-0.558 6LAI＋0.654）. [Conclusion] The effect of sun elevation angle and leaf area index on extinction coefficient during corn growing season was considered in the new dynamic model of extinction coefficient, and its simulated result was superior to that of single-factor model.

Effect of liquid diffusion coefficients on microstructure evolution during solidification of Al356.1 alloy

（The effect of liquid diffusion coefficients on the microstructure evolution during solidification of primary （Al） phase in Al356.1 alloy was investigated by means of the phase-field simulation using two sets of diffusion coefficients in liquid phase, while fixing other thermophysical and numerical parameters. The first set is only with impurity coefficients of liquid phase in Arrhenius formula representing only the temperature dependence. While the second set is with the well-established atomic mobility database representing both temperature and concentration dependence. For the second set of liquid diffusion coefficients, the effect of non-diagonal diffusion coefficients on the microstructure evolution in Al356.1 alloy during solidification was also analyzed. The differences were observed in the morphology, tip velocity and composition profile ahead of the tip of the dendrite due to the three cases of liquid diffusivities. The simulation results indicate that accurate databases of mobilities in the liquid phase are highly needed for the quantitative simulation of microstructural evolution during solidification.

基于MIC特征提取与BO-CatBoost的航空发动机RUL预测

针对航空发动机传感器监测的退化参数提取困难,易受噪声干扰及发动机剩余使用寿命预测精度不足等问题,利用最大信息系数、贝叶斯优化算法和类别特征梯度提升算法,提出了一种新的发动机剩余使用寿命预测模型。首先,为有效解决特征提取不足的问题,对采集的传感器历史监测特征进行最大信息系数相关性计算,提取出对发动机寿命运行周期影响较大的关键退化特征。其次,为解决剩余使用寿命预测中的梯度偏差及预测偏移问题,使用基于贝叶斯优化的类别特征梯度提升方法对航空发动机进行剩余使用寿命预测。最后,在美国航空航天局提供的商用模块化航空推进系统仿真数据集上进行实验,结果表明所提预测方法的性能较好,验证了该方法的有效性。

Reconstructed Light Extinction Coefficients Using Chemical Compositions of PM_(2.5) in Winter in Urban Guangzhou, China

The objective of this study was to reconstruct light extinction coefficients （b ext ） according to chemical composition components of particulate matter up to 2.5 μm in size （PM 2.5 ）. PM 2.5 samples were collected at the monitoring station of the South China of Institute of Environmental Science （SCIES, Guangzhou, China） during January 2010, and the online absorbing and scattering coefficients were obtained using an aethalometer and a nephelometer. The measured values of light absorption coefficient by particle （b ap ） and light scattering coefficient by particle （b sp ） significantly correlated （R 2 0.95） with values of b ap and b sp that were reconstructed using the Interagency Monitoring of Protected Visual Environments （IMPROVE） formula when RH was 70%. The measured b ext had a good correlation （R 2 0.83） with the calculated b ext under ambient RH conditions. The result of source apportionment of b ext showed that ammonium sulfate [（NH 4 ） 2 SO 4 ] was the largest contributor （35.0%） to b ext , followed by ammonium nitrate （NH 4 NO 3 , 22.9%）, organic matter （16.1%）, elemental carbon （11.8%）, sea salt （4.7%）, and nitrogen dioxide （NO 2 , 9.6%）. To improve visibility in Guangzhou, the effective control of secondary particles like sulfates, nitrates, and ammonia should be given more attention in urban environmental management.

Estimation of Road Friction Coefficient in Different Road Conditions Based on Vehicle Braking Dynamics

The accurate estimation of road friction coeffi- cient in the active safety control system has become increasingly prominent. Most previous studies on road friction estimation have only used vehicle longitudinal or lateral dynamics and often ignored the load transfer, which tends to cause inaccurate of the actual road friction coef- ficient. A novel method considering load transfer of front and rear axles is proposed to estimate road friction coef- ficient based on braking dynamic model of two-wheeled vehicle. Sliding mode control technique is used to build the ideal braking torque controller, which control target is to control the actual wheel slip ratio of front and rear wheels tracking the ideal wheel slip ratio. In order to eliminate the chattering problem of the sliding mode controller, integral switching surface is used to design the sliding mode sur- face. A second order linear extended state observer is designed to observe road friction coefficient based on wheel speed and braking torque of front and rear wheels. The proposed road friction coefficient estimation schemes are evaluated by simulation in ADAMS/Car. The results show that the estimated values can well agree with the actual values in different road conditions. The observer can estimate road friction coefficient exactly in real-time andresist external disturbance. The proposed research provides a novel method to estimate road friction coefficient with strong robustness and more accurate.

Measurement of mass attenuation coefficients,effective atomic numbers,and electron densities for different parts of medicinal aromatic plants in low-energy region

The mass attenuation coefficients(l/q) for different parts(root, flower, stem, and leaf) of three medicinal aromatic plants(Teucrium chamaedrys L. subsp. sinuatum,Rheum ribes, and Chrysophthalmum montanum) were measured using an ^(241)Am photon source in a stable geometry and calculated using the Monte Carlo N-Particle Transport Code System-extended(MCNPX) code and the WinXCOM program. The experimental and theoretical MCNPX and WinXCOM values exhibited good agreement.The measured mass attenuation coefficient values were then used to compute the effective atomic number(Z_(eff))and electron density(N_E) of the samples. The results reveal that S1-S(stem of Teucrium chamaedrys L. subsp. sinuatum) has the highest values of l/q and Zeff.

Normalization of Hydrodynamic Coefficients in Morison Equation

The hydrodynamic coefficients C-d and C-m are not only dependent on the size of slender cylinder, its location in water, KC number and Re number, but also vary with environmental conditions, i.e., in regular waves or in irregular waves, in pure waves or in wave-current coexisting field. In this paper, the normalization of hydrodynamic coefficients for various environmental conditions is discussed. When a proper definition of KC number and proper characteristic values of irregular waves are used, a unified relationship between C-d, C-m and KC number for regular waves, irregular waves, pure waves and wave-current coexisting field can be obtained.

Improving seismic interpretation: a high-contrast approximation to the reflection coefficient of a plane longitudinal wave

Linearized approximations of reflection and transmission coefficients set a foundation for amplitude versus offset（AVO） analysis and inversion in exploration geophysics.However,the weak properties contrast hypothesis of those linearized approximate equations leads to big errors when the two media across the interface vary dramatically.To extend the application of AVO analysis and inversion to high contrast between the properties of the two layers,we derive a novel nonlinearized high-contrast approximation of the PP-wave reflection coefficient,which establishes the direct relationship between PPwave reflection coefficient and P-wave velocities,S-wave velocities and densities across the interface.（A PP wave is a reflected compressional wave from an incident compressional wave（P-wave）.） This novel approximation is derived from the exact reflection coefficient equation with Taylor expansion for the incident angle.Model tests demonstrate that,compared with the reflection coefficients of the linearized approximations,the reflection coefficients of the novel nonlinearized approximate equation agree with those of the exact PP equation better for a high contrast interface with a moderate incident angle.Furthermore,we introduce a nonlinear direct inversion method utilizing the novel reflection coefficient equation as forward solver,to implement the direct inversion for the six parameters including P-wave velocities,S-wave velocities,and densities in the upper and lower layers across the interface.This nonlinear inversion algorithm is able to estimate the inverse of the nonlinear function in terms of model parameters directly rather than in a conventional optimization way.Three examples verified the feasibility and suitability of this novel approximation for a high contrast interface,and we still could estimate the six parameters across the interface reasonably when the parameters in both media across the interface vary about 50%.

基于STL-MIC-LSTM方法的最大电力负荷预测方法研究

随着经济社会的快速发展,对电网调度的安全稳定提出了更高的要求,准确的电网负荷预测将发挥更加重要的作用。文章运用STL方法提取气象负荷,利用MIC选取适当的气象因子,建立了基于LSTM网络和多气象因子特征、按季节分类的最大电力负荷预测模型并进行检验。利用模型预测了2023/2024年冬季银川市最大电力负荷,结果表明:STL方法能够有效地提取不同周期下的气象负荷;MIC可以较好地体现气象因子与气象负荷的非线性关系;在时间序列预测方面,LSTM网络能够较为准确地预测银川市日最大电力负荷;银川市2023/2024年冬季最大电力负荷为3161 MW,平均最大电力负荷较2022/2023年冬季偏高6%。

基于LightGBM-VIF-MIC-SFS的风电机组故障诊断输入特征选择方法

针对风电机组数据采集与监视控制(SCADA)系统数据维数较高、特征冗余、特征相关性高导致风电机组的故障诊断过程存在误差大、分类正确率低的问题,提出一种基于LightGBM-VIF-MIC-SFS的三段式特征选择方法。首先,根据LightGBM实现对所有特征的重要性计算,确定初步特征空间;其次,根据方差膨胀因子(VIF)和最大信息系数(MIC)构建相关性判别阵,据此评估一次筛选中重要性相近的特征,舍弃相似性高的输入特征;最后,使用序列前向搜索法对特征进行第3次处理,逐个输入前2次特征选择获得的特征,保留能提升系统性能的特征,从而实现最终特征的选取。在完成了模型的建立后,使用风电场真实SCADA系统数据进行性能评估,将所提方法与2种对比算法在6个数据集上进行对比,结果显示所提出的LightGBM-VIF-MIC-SFS相较2种对比特征选择算法有显著优势。对所提方法内部的3个模块进行了消融实验,有效验证了所提特征选取方法内部各个模块的有效性以及基于所提方法得到的最优特征空间的合理性及准确性。

Effect of partition coefficient on microsegregation during solidification of aluminium alloys

In the modeling of microsegregation, the partition coefficient is usually calculated using data from the equilibrium phase diagrams. The aim of this study was to experimentally and theoretically analyze the partition coefficient in binary aluminum--copper alloys. The sam- ples were analyzed by differential thermal analysis （DTA）, which were melted and quenched from different temperatures during solidifica- tion. The mass fraction and composition of phases were measured by image processing and scanning electron microscopy （SEM） equipped with an energy-dispersive X-ray spectroscopy （EDS） unit. These data were used to calculate as the experimental partition coefficients with four different methods. The experimental and equilibrium partition coefficients were used to model the concentration profile in the primary phase. The modeling results show that the profiles calculated by the experimental partition coefficients are more consistent with the experi- mental profiles, compared to those calculated using the equilibrium partition coefficients.

Preparation and study on performance of submicron nickel powder for multilayer chip positive temperature coefficient resistance

Base metal nickel is often used as the inner electrode in multilayer chip positive temperature coefficient resistance （PTCR）. The fine grain of ceramic powders and base metal nickel are necessary. This paper uses reducing hydrazine to gain submicron nickel powder whose diameter was 200-300 nm through adjusting the consumption of nucleating agent PVP properly. The submicron nickel powder could disperse well and was fit for co--fired of multilayer chip PTCR. It analyes the submicron nickel powder through x-ray Diffraction （XRD） and calculates the diameter of nickel by PDF cards. Using XRD analyses it obtains several conclusions： If the molar ratio of hydrazine hydrate and nickel sulfate is kept to be a constant, when enlarging the molar ratio of NaOH/Ni^2＋, the diameter of nickel powder would become smaller. When the temperature in the experiment raises to 70-80 ℃, nickel powder becomes smaller too. And if the molar ratio of NaOH/Ni2＋ is 4, when molar ratio of （C2H5O）2/Ni^2＋ increases, the diameter of nickel would reduce. Results from viewing the powders by optical microscope should be the fact that the electrode made by submicron nickel powder has a better formation and compactness. Furthermore, the sheet resistance testing shows that the electrode made by submicron nickel is smaller than that made by micron nickel.