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.

Adaptive Random Effects/Coefficients Modeling

Adaptive fractional polynomial modeling of general correlated outcomes is formulated to address nonlinearity in means, variances/dispersions, and correlations. Means and variances/dispersions are modeled using generalized linear models in fixed effects/coefficients. Correlations are modeled using random effects/coefficients. Nonlinearity is addressed using power transforms of primary (untransformed) predictors. Parameter estimation is based on extended linear mixed modeling generalizing both generalized estimating equations and linear mixed modeling. Models are evaluated using likelihood cross-validation (LCV) scores and are generated adaptively using a heuristic search controlled by LCV scores. Cases covered include linear, Poisson, logistic, exponential, and discrete regression of correlated continuous, count/rate, dichotomous, positive continuous, and discrete numeric outcomes treated as normally, Poisson, Bernoulli, exponentially, and discrete numerically distributed, respectively. Example analyses are also generated for these five cases to compare adaptive random effects/coefficients modeling of correlated outcomes to previously developed adaptive modeling based on directly specified covariance structures. Adaptive random effects/coefficients modeling substantially outperforms direct covariance modeling in the linear, exponential, and discrete regression example analyses. It generates equivalent results in the logistic regression example analyses and it is substantially outperformed in the Poisson regression case. Random effects/coefficients modeling of correlated outcomes can provide substantial improvements in model selection compared to directly specified covariance modeling. However, directly specified covariance modeling can generate competitive or substantially better results in some cases while usually requiring less computation time.

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.

Impacts of Surface Exchange Coefficients on Simulations of Super Typhoon Megi(2010)Using a Coupled Ocean-Atmosphere-Wave Model

In this study,the effects of surface exchange coefficients on simulations of Super Typhoon Megi(2010)are investigated using a fully coupled ocean-atmosphere-wave model.Several experiments are conducted using different parameterization schemes for the drag(C_(D))and enthalpy exchange(C_(K))coefficients.For the selected case,considering only the leveling-off of C_(D)at high wind speeds does not effectively improve the simulated typhoon track,intensity,or size.We found that increasing C_(K)monotonically with wind speed(Komori et al.,2018)yields stronger winds and deeper pressures by enhancing latent and sensible heat fluxes,but typhoon intensity remains underestimated.We propose a new higher C_(K)than that from Komori et al.(2018)based on the theory of Emanuel(1995).This approach produces a greater modeled typhoon intensity that is in good agreement with the best track data and effectively improves the track error for the simulation.Improved accuracy for modeled typhoon intensity is achieved with the new coefficient because C_(K)/C_(D)reaches the threshold of about 0.75 predicted by Emanuel(1995).The new proposed C_(K)also results in a reasonably accurate modeled sea surface temperature.However,typhoon size and surface wave height are overestimated.This finding implies that more numerical tests for tropical cyclones of different nature(such as strong,weak,dissipating,rapidly intensifying,or weakening tropical cyclones)should be studied,and more physical processes should be explored in future coupled models.

THE FEKETE-SZEG?INEQUALITY AND SUCCESSIVE COEFFICIENTS DIFFERENCE FOR A SUBCLASS OF CLOSE-TO-STARLIKE MAPPINGS IN COMPLEX BANACH SPACES

Let C be the familiar class of normalized close-to-convex functions in the unit disk.In[17],Koepf demonstrated that,as to a function■in the class C,■By applying this inequality,it can be proven that‖a3|-|a2‖≤1 for close-to-convex functions.Now we generalized the above conclusions to a subclass of close-to-starlike mappings defined on the unit ball of a complex Banach space.

Theoretical calculations on Landé g-factors and quadratic Zeeman shift coefficients of nsnp ^(3)P_(0)^(o) clock states in Mg and Cd optical lattice clocks

The study of magnetic field effects on the clock transition of Mg and Cd optical lattice clocks is scarce.In this work,the hyperfine-induced Landég-factors and quadratic Zeeman shift coefficients of the nsnp ^(3)P_(0)^(o) clock states for ^(111,113)Cd and ^(25)Mg were calculated by using the multi-configuration Dirac–Hartree–Fock theory.To obtain accurate values of these parameters,the impact of electron correlations and furthermore the Breit interaction and quantum electrodynamical effects on the Zeeman and hyperfine interaction matrix elements,and energy separations were investigated in detail.We also estimated the contributions from perturbing states to the Landég-factors and quadratic Zeeman shift coefficients concerned so as to truncate the summation over the perturbing states without loss of accuracy.Our calculations provide important data for estimating the first-and second-order Zeeman shifts of the clock transition for the Cd and Mg optical lattice clocks.

Darboux transformation,infinite conservation laws,and exact solutions for the nonlocal Hirota equation with variable coefficients

This article presents the construction of a nonlocal Hirota equation with variable coefficients and its Darboux transformation.Using zero-seed solutions,1-soliton and 2-soliton solutions of the equation are constructed through the Darboux transformation,along with the expression for N-soliton solutions.Influence of coefficients that are taken as a function of time instead of a constant,i.e.,coefficient functionδ(t),on the solutions is investigated by choosing the coefficient functionδ(t),and the dynamics of the solutions are analyzed.This article utilizes the Lax pair to construct infinite conservation laws and extends it to nonlocal equations.The study of infinite conservation laws for nonlocal equations holds significant implications for the integrability of nonlocal equations.

Nondegenerate solitons of the(2+1)-dimensional coupled nonlinear Schrodinger equations with variable coefficients in nonlinear optical fibers

We derive the multi-hump nondegenerate solitons for the(2+1)-dimensional coupled nonlinear Schrodinger equations with propagation distance dependent diffraction,nonlinearity and gain(loss)using the developing Hirota bilinear method,and analyze the dynamical behaviors of these nondegenerate solitons.The results show that the shapes of the nondegenerate solitons are controllable by selecting different wave numbers,varying diffraction and nonlinearity parameters.In addition,when all the variable coefficients are chosen to be constant,the solutions obtained in this study reduce to the shape-preserving nondegenerate solitons.Finally,it is found that the nondegenerate two-soliton solutions can be bounded to form a double-hump two-soliton molecule after making the velocity of one double-hump soliton resonate with that of the other one.

Review of All Possible Conversion Equations of Influence Coefficients with Different Formats on Two-Plane Balancing

This article lists all possible conversion equations of influence coefficients(ICs)with different formats when some of these are known to handle two-plane balancing tasks with no or less trial weight runs.There are two approaches for two-plane balancing.One can treat it as a multi-plane balance problem involving a 2×2 matrix of complex ICs where two direct ICs along with two cross-effect ICs are generated so that correction weights at one or two balance planes can be determined.One can also apply a static pare(in-phase)and/or couple pair(180 degrees out-of-phase)weights for balancing.The latter approach has been used quite often in the field,especially on steam turbine and generator rotors.Dependent on vibration mode shapes and combinations as well as balance plane accessibility,sometimes applying static or couple pair weights can be a wise choice;other times weights at one or two end planes are needed.There are totally 4 possible sets of IC data due to weights at plane 1,plane 2,static pair,and couple pair.IC data would typically be obtained by applying trial weights followed by trial weight runs.It is found,however,that all these IC data can be converted easily without trial weight runs once any two of 4 sets are known.The above findings and conversion equations have been obtained analytically and verified by experimental results.Real cases are given to demonstratetheirapplications.

Evaluation of the coefficient of lateral stress at rest of granular materials under repetitive loading conditions

Although the internal stress state of soils can be affected by repetitive loading,there are few studies evaluating the lateral stress(or K_(0))of soils under repetitive loading.This study investigates the changes in K_(0) and directional shear wave velocity(V_(s))in samples of two granular materials with different particle shapes during repetitive loading.A modified oedometer cell equipped with bender elements and a diaphragm transducer was developed to measure the variations in the lateral stress and the shear wave velocity,under repetitive loading on the loading and unloading paths.The study produced the following results:(1)Repetitive loading on the loading path resulted in an increase in the K_(0) of test samples as a function of cyclic loading number(i),and(2)Repetitive loading on the unloading path resulted in a decrease in K_(0) according to i.The shear wave velocity ratio(i.e.V_(s)(HH)/V_(s)(VH),where the first and second letters in parentheses corresponds to the directions of wave propagation and particle motion,respectively,and V and H corresponds to the vertical and horizontal directions,respectively)according to i supports the experimental observations of this study.However,when the tested material was in lightly over-consolidated state,there was an increase in K_(0) during repetitive loading,indicating that it was the initial K_(0),rather than the loading path,which is responsible for the change in K_(0).The power model can capture the variation in the K_(0) of samples according to i.Notably,the K_(0)=1 line acts as the boundary between the increase and decrease in K_(0) under repetitive loading.

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.

Constitutive relation of an orthorhombic polycrystal with the shape coefficients

An orthorhombic polycrystal is an orthorhombic aggregate of tiny crystallites. In this paper, we study the effect of the crystalline mean shape on the constitutive relation of the orthorhombic polycrystal. The crystalline mean shape and the crystalline orientation arrangement are described by the crystalline shape function （CSF） and the orientation distribution function （ODF）, respectively. The CSF and the ODF are expanded as an infinite series in terms of the Wigner D-functions. The expanded coefficients of the CSF and the ODF are called the shape coefficients s^lm0 and the texture coefficients c^lmn respectively. Assuming that Ceff in the constitutive relation depends on the shape coefficients s^lm0 and the texture coefficients c^lmn by the principle of material frame-indifference we derive an analytical expression for C^eff up to terms linear in s^lmo and c^lmn and the expression would be applicable to the polycrystal whose texture is weak and whose crystalline mean shape has weak anisotropy. C^cff contains six unspecified material constants （λ, μ, c, s1, s2, s3）, five shape coefficients （s^2 00, s^2 20, s^4 00, s^4 20, s^4 40）, and three texture coefficients （c^4 99,c^4 20, c^4 40）, The results based on the perturbation approach are used to determine the five material constants approximately. We also find that the shape coefficients 2 and a s^2mo and s^4m0 are all zero if the crystalline mean shape is a cuboid. Some examples are given to compare our computational results.

ON THE COEFFICIENTS OF SEVERAL CLASSES OF BI-UNIVALENT FUNCTIONS

In this paper, we investigate the bounds of the coefficients of several classes of bi-univalent functions. The results presented in this paper improve of generalize the recent works of other authors.

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.

EXPRESSION OF MEROMORPHIC SOLUTIONS OF SYSTEMS OF ALGEBRAIC DIFFERENTIAL EQUATIONS WITH EXPONENTIAL COEFFICIENTS

Using the Nevanlinna theory of the value distribution of meromorphic functions and theory of differential algebra, we investigate the problem of the forms of meromorphic solutions of some specific systems of generalized higher order algebraic differential equations with exponential coefficients and obtain some results.

MEASUREMENT AND CORRELATION OF PARTITION COEFFICIENTS OF UROKINASE IN AQUEOUS TWO-PHASE PEG-POTASSIUM PHOSPHATE SYSTEM

Partition coefficients of Urokinase(UK)were measured in aqueous two-phase systems con-taining polyethylene glycol and potassium phosphate at 273.2K.Based on the Diamond-Hsu model,a modified expression was obtained for the correlation of enzyme partitioning in theabove-mentioned systems.Utilizing a modified form,the partitioning data of UK and heteroproteinwere correlated.The results show that the modified model is simple gives good precision.and will fa-cilitate engineering scale-up of aqueous two-phase systems for certain proteins purification.

Determining Crop and Pan Coefficients for Cauliflower and Red Cabbage Crops Under Cool Season Semiarid Climatic Conditions

The aim of this study was to estimate the evapotranspiration of cauliflower and red cabbage crops grown under cool season semiarid climatic conditions from Class A pan evaporation. Actual evapotranspiration （ETc） of cauliflower and red cabbage crops was calculated according to the water balance approach. Reference evapotranspiration （ETo） was calculated with FAO Penman-Monteith equation. Pan evaporation （Epan） was measured by using Class A pan. Seasonal ETc was determined as 475 mm for cauliflower and 556 nun for red cabbage. Seasonal pan coefficient （kp=ETo/Epan） was determined as 0.82, and the seasonal crop coefficient （kc=ETc/ETo） was determined as 0.84 for cauliflower and 0.83 for red cabbage. So the evapotranspiration of cauliflower and red cabbage crops was estimated as 70% Class A pan evaporation.

Spatiotemporal Characteristics of Reference Evapotranspiration and Its Sensitivity Coefficients to Climate Factors in Huang-Huai-Hai Plain,China

Climate change will have important implications in water shore regions,such as Huang-Huai-Hai（3H） plain,where expected warmer and drier conditions might augment crop water demand.Sensitivity analysis is important in understanding the relative importance of climatic variables to the variation in reference evapotranspiration（ET 0）.In this study,the 51-yr ET 0 during winter wheat and summer maize growing season were calculated from a data set of daily climate variables in 40 meteorological stations.Sensitivity maps for key climate variables were estimated according to Kriging method and the spatial pattern of sensitivity coefficients for these key variables was plotted.In addition,the slopes of the linear regression lines for sensitivity coefficients were obtained.Results showed that ET 0 during winter wheat growing season accounted for the largest proportion of annual ET 0,due to its long phenological days,while ET 0 was detected to decrease significantly with the magnitude of 0.5 mm yr-1in summer maize growing season.Solar radiation is considered to be the most sensitive and primarily controlling variable for negative trend in ET 0 for summer maize season,and higher sensitive coefficient value of ET 0 to solar radiation and temperature were detected in east part and southwest part of 3H plain respectively.Relative humidity was demonstrated as the most sensitive factor for ET 0 in winter wheat growing season and declining relativity humidity also primarily controlled a negative trend in ET 0,furthermore the sensitivity coefficient to relative humidity increased from west to southeast.The eight sensitivity centrals were all found located in Shandong Province.These ET 0 along with its sensitivity maps under winter wheat-summer maize rotation system can be applied to predict the agricultural water demand and will assist water resources planning and management for this region.

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.