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.

Determination of Natural Logarithm of Diffusion Coefficient and Activation Energy of Thin Layer Drying Process of Ginger Rhizome Slices

This study is an extension of the previous work done with ARS-680 Environmental Chamber. Drying is a complex operation that demands much energy and time. Drying is essentially important for preservation of ginger rhizome. Drying of ginger was modeled, and then the effective diffusion coefficient and activation energy were determined. For this purpose, the experiments were done at six levels of varied temperatures: 10°C, 20°C, 30°C, 40°C, 50°C and 60°C. The values of effective diffusion coefficients obtained in this work for the variously treated ginger rhizomes closely agreed with the average effective diffusion coefficients of other notable authors who determined the drying kinetics and convective heat transfer coefficients of ginger slices.

Gini Coefficient-based Task Allocation for Multi-robot Systems With Limited Energy Resources

Nowadays, robots generally have a variety of capabilities, which often form a coalition replacing human to work in dangerous environment, such as rescue, exploration, etc. In these operating conditions, the energy supply of robots usually cannot be guaranteed. If the energy resources of some robots are consumed too fast, the number of the future tasks of the coalition will be affected. This paper will develop a novel task allocation method based on Gini coefficient to make full use of limited energy resources of multi-robot system to maximize the number of tasks. At the same time, considering resources consumption,we incorporate the market-based allocation mechanism into our Gini coefficient-based method and propose a hybrid method,which can flexibly optimize the task completion number and the resource consumption according to the application contexts.Experiments show that the multi-robot system with limited energy resources can accomplish more tasks by the proposed Gini coefficient-based method, and the hybrid method can be dynamically adaptive to changes of the work environment and realize the dual optimization goals.

The Correlation Coefficient of Hesitancy Fuzzy Graphs in Decision Making

The hesitancy fuzzy graphs(HFGs),an extension of fuzzy graphs,are useful tools for dealing with ambiguity and uncertainty in issues involving decision-making(DM).This research implements a correlation coefficient measure(CCM)to assess the strength of the association between HFGs in this article since CCMs have a high capacity to process and interpret data.The CCM that is proposed between the HFGs has better qualities than the existing ones.It lowers restrictions on the hesitant fuzzy elements’length and may be used to establish whether the HFGs are connected negatively or favorably.Additionally,a CCMbased attribute DM approach is built into a hesitant fuzzy environment.This article suggests the use of weighted correlation coefficient measures(WCCMs)using the CCM concept to quantify the correlation between two HFGs.The decisionmaking problems of hesitancy fuzzy preference relations(HFPRs)are considered.This research proposes a new technique for assessing the relative weights of experts based on the uncertainty of HFPRs and the correlation coefficient degree of each HFPR.This paper determines the ranking order of all alternatives and the best one by using the CCMs between each option and the ideal choice.In the meantime,the appropriate example is given to demonstrate the viability of the new strategies.

Effect of non-uniform swelling on coal multiphysics during gas injection: The triangle approach

In current dual porosity/permeability models,there exists a fundamental assumption that the adsorption-induced swelling is distributed uniformly within the representative elementary volume (REV),irrespective of its internal structures and transient processes.However,both internal structures and transient processes can lead to the non-uniform swelling.In this study,we hypothesize that the non-uniform swelling is responsible for why coal permeability in experimental measurements is not only controlled by the effective stress but also is affected by the adsorption-induced swelling.We propose a concept of the swelling triangle composed of swelling paths to characterize the evolution of the non-uniform swelling and serve as a core link in coupled multiphysics.A swelling path is determined by a dimensionless volumetric ratio and a dimensionless swelling ratio.Different swelling paths have the same start and end point,and each swelling path represents a unique swelling case.The swelling path as the diagonal of the triangle represents the case of the uniform swelling while that as the two perpendicular boundaries represents the case of the localized swelling.The paths of all intermediate cases populate inside the triangle.The corresponding relations between the swelling path and the response of coal multiphysics are established by a non-uniform swelling coefficient.We define this method as the triangle approach and corresponding models as swelling path-based ones.The proposed concept and models are verified against a long-term experimental measurement of permeability and strains under constant effective stress.Our results demonstrate that during gas injection,coal multiphysics responses have a close dependence on the swelling path,and that in both future experiments and field predictions,this dependence must be considered.

Mechanical response and dilatancy characteristics of deep marble under different stress paths:A sight from energy dissipation

Dilatancy is a fundamental volumetric growth behavior observed during loading and serves as a key index to comprehending the intricate nonlinear behavior and constitutive equation structure of rock.This study focuses on Jinping marble obtained from the Jinping Underground Laboratory in China at a depth of 2400 m.Various uniaxial and triaxial tests at different strain rates,along with constant confining pressure tests and reduced confining pressure tests under different confining pressures were conducted to analyze the mechanical response and dilatancy characteristics of the marble under four stress paths.Subsequently,a new empirical dilatancy coefficient is proposed based on the energy dissipation method.The results show that brittle failure characteristics of marble under uniaxial compression are more obvious with the strain rate increasing,and plastic failure characteristics of marble under triaxial compression are gradually strengthened.Furthermore,compared to the constant confining pressure,the volume expansion is relatively lower under unloading condition.The energy dissipation is closely linked to the process of dilatancy,with a rapid increase of dissipated energy coinciding with the beginning of dilatancy.A new empirical dilatancy coefficient is defined according to the change trend of energy dissipation rate curve,of which change trend is consistent with the actual dilatancy response in marble under different stress paths.The existing empirical and theoretical dilatancy models are analyzed,which shows that the empirical dilatancy coefficient based on the energy background is more universal.

Comparative Analysis of Energy Characteristics of Two Southwest Vortices in Sichuan Under Similar Circulation Backgrounds

Based on ERA5 reanalysis data,the present study analyzed the thermal energy development mechanism and kinetic energy conversion characteristics of two extreme rainstorm processes in relation to the shallow southwest vortex in the warm-sector during a“rain-generated vortex”process and the deep southwest vortex in a“vortex-generated rain”process.The findings were as follows:(1)During the extreme rainstorm on August 11,2020(hereinafter referred to as the“8·11”process),intense surface heating and a high-energy unstable environment were observed.The mesoscale convergence system triggered convection to produce heavy rainfall,and the release of latent condensation heat generated by the rainfall promoted the formation of a southwest vortex.The significant increase(decrease)in atmospheric diabatic heating and kinetic energy preceded the increase(decrease)in vorticity.By contrast,the extreme rainstorm on August 16,2020(hereinafter referred to as the“8·16”process)involved the generation of southwest vortex in a low-energy and highhumidity environment.The dynamic uplift of the southwest vortex triggered rainfall,and the release of condensation latent heat from rainfall further strengthened the development of the southwest vortex.The significant increase(decrease)in atmospheric diabatic heating and kinetic energy exhibited a delayed progression compared to the increase(decrease)in vorticity.(2)The heating effect around the southwest vortex region was non-uniform,and the heating intensity varied in different stages.In the“8·11”process,the heating effect was the strongest in the initial stage,but weakened during the vortex's development.On the contrary,the heating effect was initially weak in the“8·16”process,and intensified during the development stage.(3)The available potential energy of the“8·11”process significantly increased in kinetic energy converted from rotational and divergent winds through baroclinic action,and the divergent wind energy continued to convert into rotational wind energy.By contrast,the“8·16”process involved the conversion of rotational wind energy into divergent wind energy,which in turn converted kinetic energy back into available potential energy,thereby impeding the further development and maintenance of the southwest vortex.

Minimum wall pressure coefficient of orifice plate energy dissipater

Orifice plate energy dissipaters have been successfully used in large-scale hydropower projects due to their simple structure, convenient construction procedure, and high energy dissipation ratio. The minimum wall pressure coefficient of an orifice plate can indirectly reflect its cavitation characteristics： the lower the minimum wall pressure coefficient is, the better the ability of the orifice plate to resist cavitation damage is. Thus, it is important to study the minimum wall pressure coefficient of the orifice plate. In this study, this coefficient and related parameters, such as the contraction ratio, defined as the ratio of the orifice plate diameter to the flood-discharging tunnel diameter; the relative thickness, defined as the ratio of the orifice plate thickness to the tunnel diameter; and the Reynolds number of the flow through the orifice plate, were theoretically analyzed, and their relationships were obtained through physical model experiments. It can be concluded that the minimum wall pressure coefficient is mainly dominated by the contraction ratio and relative thickness. The lower the contraction ratio and relative thickness are, the larger the minimum wall pressure coefficient is. The effects of the Reynolds number on the minimum wall pressure coefficient can be neglected when it is larger than 10^5. An emoirical expression was presented to calculate the minimum wall oressure coefficient in this study.

Relation between stabilization energy, crystal field coefficient and the magnetic exchange interaction for Tb^(3+) ion

Based on a single ion model, Hamiltonian of the simplest form about magnetocrystalline anisotropy for Tb3+ ion was solved by using the numerical method. The relation between the stabilization energy, crystal field coefficient B20 and the magnetic exchange interaction was studied as temperature approaches to 0 K. The results show that the stabilization energy contributed by Tb3+ is linear with crystal field coefficient B20 approximately, but it is insensitive to the change of magnetic exchange interaction for the strong magnetic substances such as TbCo5, Tb2Co17 and Tb2Fe14B compounds.

The coefficient of variation representing the non-uniformity of the strain field and its implication to detect earthquake precursor

Before the major earthquake or rock damage occurs,it is often accompanied by a sudden change in the degree of non-uniformity of the strain field.In order to find a stronger non-uniformity signal before the rock failure,the coefficient of variation(Cv)is examined and reformed in this study.We test the Cv calculation way of the"normal-abnormal"model proposed in the previous studies.Based on the analysis of the physical process of rock failure and its relationship to the shear strain field,we construct a new way to calculate the Cv value.The variation of shear strain field on rock sample with the increase of stress is obtained by the digital speckle correlation method(DSCM).The new Cv value calculation way is used to study the non-uniformity of the spatial distribution for the shear strain field.The results show that this Cv calculation way can get more obvious abnormal signals.When the number of observation points are limited,the specific distribution of points can increase the signal strength,which may provide reference for the research on precursor detection of earthquakes.

Studies on absorption coefficients of dual-energy γ-rays and measur-ing error correction for multiphase fraction determination

In this article, principle and mathematical method of determining the phase fractions of multiphase flows by using a dual-energy γ -ray system have been described. The dual-energy γ -ray device is composed of radioactive isotopes of 241Am and 137Cs with γ -ray energies of 59.5 and 662 keV, respectively. A rational method to calibrate the absorption coefficient was introduced in detail. The modified arithmetic is beneficial to removing the extra Compton scattering from the measured value. The result shows that the dual-energy γ -ray technique can be used in three-phase flow with average accuracy greater than 95%, which enables us to determine phase fractions almost independent of the flow regime. Improvement has been achieved on measurement accuracy of phase fractions.

Study on absorption coefficients of dual-energy γ-rays in determining phase fractions of multiphase flows

This paper discusses the principle and mathematical method to measure the phase fractions of multiphase flows by using a dual-energy gamma-ray system. The dual-energy gamma-ray device is composed of radioactive isotopes of 241Am and 137Cs with emission energies of 59.5 keV and 662 keV respectively. A rational method to calibrate the absorption coefficient was introduced in detail. The statistical error has been analyzed on the basis of the accurate absorption coefficient which enables determination phrase fractions almost independent of the flow regime. Improvement has been achieved on the measurement accuracy of phase fractions.

Derivation of energy-based base shear force coefficient considering hysteretic behavior and P-delta effects

A modified energy-balance equation accounting for P-delta effects and hysteretic behavior of reinforced concrete members is derived. Reduced hysteretic properties of structural components due to combined stiffness and strength degradation and pinching effects, and hysteretic damping are taken into account in a simple manner by utilizing plastic energy and seismic input energy modification factors. Having a pre-selected yield mechanism, energy balance of structure in inelastic range is considered. P-delta effects are included in derived equation by adding the external work of gravity loads to the work of equivalent inertia forces and equating the total external work to the modified plastic energy. Earthquake energy input to multi degree of freedom（MDOF） system is approximated by using the modal energy-decomposition. Energybased base shear coefficients are verified by means of both pushover analysis and nonlinear time history（NLTH） analysis of several RC frames having different number of stories. NLTH analyses of frames are performed by using the time histories of ten scaled ground motions compatible with elastic design acceleration spectrum and fulfilling duration/amplitude related requirements of Turkish Seismic Design Code. The observed correlation between energy-based base shear force coefficients and the average base shear force coefficients of NLTH analyses provides a reasonable confidence in estimation of nonlinear base shear force capacity of frames by using the derived equation.

Damage Identification in Beam-Type Structures Using Pseudo Strain Energy Density and Grey Relation Coefficient

Based on pseudo strain energy density (PSED) and grey relation coefficient (GRC), an index is proposed to locate the damage of beam-type structures in time-domain. The genetic algorithm (GA) is utilized to identify the structural damage severity of confirmed damaged locations. Furthermore, a systematic damage identification program based on GA is developed on MATLAB platform. ANSYS is employed to conduct the finite element analysis of complicated civil engineering structures, which is embedded with interface technique. The two-step damage identification is verified by a finite element model of Xinxingtang Highway Bridge and a laboratory beam model based on polyvinylidens fluoride (PVDF). The bridge model was constructed with 57 girder segments, and simulated with 58 measurement points. The damaged segments were located accurately by GRC index regardless of damage extents and noise levels. With stiffness reduction factors of detected segments as variables, the GA program evolved for 150 generations in 6 h and identified the damage extent with the maximum errors of 1% and 3% corresponding to the noise to signal ratios of 0 and 5%, respectively. In contrast, the common GA-based method without using GRC index evolved for 600 generations in 24 h, but failed to obtain satisfactory results. In the laboratory test, PVDF patches were used as dynamic strain sensors, and the damage locations were identified due to the fact that GRC indexes of points near damaged elements were smaller than 0.6 while those of others were larger than 0.6. The GA-based damage quantification was also consistent with the value of crack depth in the beam model.

First principles calculations of alloying element diffusion coefficients in Ni using the five-frequency model

The diffusion coefficients of several alloying elements（Al,Mo,Co,Ta,Ru,W,Cr,Re） in Ni are directly calculated using the five-frequency model and the first principles density functional theory.The correlation factors provided by the five-frequency model are explicitly calculated.The calculated diffusion coefficients show their excellent agreement with the available experimental data.Both the diffusion pre-factor（D 0） and the activation energy（Q） of impurity diffusion are obtained.The diffusion coefficients above 700 K are sorted in the following order：DAl〉DCr〉DCo〉DTa〉DMo〉DRu〉DW〉D Re.It is found that there is a positive correlation between the atomic radius of the solute and the jump energy of Ni that results in the rotation of the solute-vacancy pair（E 1）.The value of E 2-E 1（E 2 is the solute diffusion energy） and the correlation factor each also show a positive correlation.The larger atoms in the same series have lower diffusion activation energies and faster diffusion coefficients.

Determination of Water Diffusion Coefficients and Dynamics in Adhesive/Carbon Fiber Reinforced Epoxy Resin Composite Joints

To determinate the water diffusion coefficients and dynamics in adhesive/carben fiber reinforced epoxy resin composite joints, energy dispersive X-ray spectroscopy analysis（EDX） is used to establish the content change of oxy- gen in the adhesive in adhesive/carbon fther reinforced epoxy resin composite joints. As water is made up of oxygen and hydrogen, the water diffusion coefficients and dynamics in adhesive/carben fiber reinforced epoxy resin composite joints can be obtained from the change in the content of oxygen in the adhesive during humidity aging, via EDX analy-sis. The authors have calculated the water diffusion coefficients and dynamics in the adhesive/carbon fiber reinforced epoxy resin composite joints with the aid of beth energy dispersive X-ray spectroscopy and elemental analysis. The de- termined results with EDX analysis are almost the same as those determined with elemental analysis and the results al- so show that the durability of the adhesive/carbon fther reinforced epoxy resin composite joints subjected to silane cou- pling agent treatment is better than those subjected to sand paper burnishing treatment and chemical oxidation treat- ment.

Bethe–Weizs?cker semiempirical mass formula coefficients 2019update based on AME2016

In the present work, the classical Bethe–Weizs?cker(BW) mass formula with five energy terms is revisited and updated. We use the least-squares adjustments on the binding energy of 2497 different nuclides from the last update of the atomic mass evaluation,AME2016 published in March 2017, to provide a new set of energy coefficients of the mass formula. The obtained set of formula coefficients allowed us to reproduce most of the experimental values of the binding energies for each nucleus with A ≥50. The comparison between the binding energies provided with updated mass formula and those of AME2016 on the one hand, and those of previous works,on the other hand, yields relative errors that oscillate between less than 0.05% and 1.5%. The revisited BW formula is in very good agreement with the experimental data.

Air tightness of compressed air storage energy caverns with polymer sealing layer subjected to various air pressures

During the operation of compressed air storage energy system,the rapid change of air pressure in a cavern will cause drastic changes in air density and permeability coefficient of sealing layer.To calculate and properly evaluate air tightness of polymer sealing caverns,the air-pressure-related air density and permeability must be considered.In this context,the high-pressure air penetration in the polymer sealing layer is studied in consideration of thermodynamic change of the cavern structure during the system operation.The air tightness model of compressed air storage energy caverns is then established.In the model,the permeability coefficient and air density of sealing layer vary with air pressure,and the effectiveness of the model is verified by field data in two test caverns.Finally,a compressed air storage energy cavern is taken as an example to understand the air tightness.The air leakage rate in the caverns is larger than that using air-pressure-independent permeability coefficient and air density,which is constant and small in the previous leakage rate calculation.Under the operating pressure of 4.5-10 MPa,the daily air leakage in the compressed air storage energy cavern of Yungang Mine with high polymer butyl rubber as the sealing material is 0.62%,which can meet the sealing requirements of compressed air storage energy caverns.The air tightness of the polymer sealing cavern is mainly affected by the cavern operating pressure,injected air temperature,cavern radius,and sealing layer thickness.The cavern air leakage rate will be decreased to reduce the cavern operating pressure the injection air temperature,or the cavern radius and sealing layer thickness will be increased.