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 studi...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 D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.展开更多
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 general...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.展开更多
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 ba...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.展开更多
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...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.展开更多
Nanocellulose,a natural polymeric nanomaterial,has attracted significant attention in enhanced oil recovery(EOR)applications due to its abundance,nanoscale,high oil-water interfacial adsorption ef-ficiency.In this stu...Nanocellulose,a natural polymeric nanomaterial,has attracted significant attention in enhanced oil recovery(EOR)applications due to its abundance,nanoscale,high oil-water interfacial adsorption ef-ficiency.In this study,surface-functionalized cellulose nanocrystals(SF-CNCs)were prepared via hy-drochloric acid hydrolysis and chemical modification,with adaptable nanosize and considerable dispersion stability in low-permeability reservoirs.The SF-CNCs were structurally characterized by FT-IR,Cryo-TEM,which have a diameter of 5-10 nm and a length of 100-200 nm.The SF-CNC dispersions possessed higher stability and stronger salt-tolerance than those of corresponding CNC dispersions,due to the strong hydrophilicity of the sulfonic acid group.It was synergistically used with a non-ionic surfactant(APG1214)to formulate a combined flooding system(0.1 wt%SF-CNC+0.2 wt%APG1214).The combined flooding system exhibits strong emulsification stability,low oil-water interfacial tension of o.03 mN/m,and the ability to alter the wettability for oil-wetting rocks.Furthermore,the combined system was_able to provide an optimum EOR efficiency of 20.2%in low-permeability cores with 30.13×10^(-3)μm^(2).Notably.it can enlarge the sweep volume and increase the displacement efficiency simultaneously.Overall,the newly formulated nanocellulose/surfactant combined system exhibits a remarkable EoR performance in low-permeability reservoirs.展开更多
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 fo...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.展开更多
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)...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.展开更多
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 constructe...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.展开更多
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 b...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.展开更多
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 tw...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.展开更多
文摘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 D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.
文摘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.
文摘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.
基金supported by the National Natural Science Foundation of China(Nos.41906014,U20A2099 and 41976017)。
文摘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.
基金the China National Postdoctoral Program for Innovative Talents(Bx20200386)China Postdoctoral Science Foundation(2021M703586)+1 种基金Key Program of National Natural Science Foundation of China(52130401)National Natural Science Foundation of China(52204064,52104055)for financial support.
文摘Nanocellulose,a natural polymeric nanomaterial,has attracted significant attention in enhanced oil recovery(EOR)applications due to its abundance,nanoscale,high oil-water interfacial adsorption ef-ficiency.In this study,surface-functionalized cellulose nanocrystals(SF-CNCs)were prepared via hy-drochloric acid hydrolysis and chemical modification,with adaptable nanosize and considerable dispersion stability in low-permeability reservoirs.The SF-CNCs were structurally characterized by FT-IR,Cryo-TEM,which have a diameter of 5-10 nm and a length of 100-200 nm.The SF-CNC dispersions possessed higher stability and stronger salt-tolerance than those of corresponding CNC dispersions,due to the strong hydrophilicity of the sulfonic acid group.It was synergistically used with a non-ionic surfactant(APG1214)to formulate a combined flooding system(0.1 wt%SF-CNC+0.2 wt%APG1214).The combined flooding system exhibits strong emulsification stability,low oil-water interfacial tension of o.03 mN/m,and the ability to alter the wettability for oil-wetting rocks.Furthermore,the combined system was_able to provide an optimum EOR efficiency of 20.2%in low-permeability cores with 30.13×10^(-3)μm^(2).Notably.it can enlarge the sweep volume and increase the displacement efficiency simultaneously.Overall,the newly formulated nanocellulose/surfactant combined system exhibits a remarkable EoR performance in low-permeability reservoirs.
基金Supported by the NNSF of China(11971165)the Natural Science Foundation of Zhejiang Province(LY21A010003)。
文摘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.
基金Project supported by the National Natural Science Foundation of China (Grant No.61775220)the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No.XDB21030100)the Key Research Project of Frontier Science of the Chinese Academy of Sciences (Grant No.QYZDB-SSW-JSC004)。
文摘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.
基金supported by the National Natural Science Foundation of China (Grant No.11505090)Liaocheng University Level Science and Technology Research Fund (Grant No.318012018)+2 种基金Discipline with Strong Characteristics of Liaocheng University–Intelligent Science and Technology (Grant No.319462208)Research Award Foundation for Outstanding Young Scientists of Shandong Province (Grant No.BS2015SF009)the Doctoral Foundation of Liaocheng University (Grant No.318051413)。
文摘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.
基金supported by the National Natural Science Foundation of China (Grant Nos.11975204 and 12075208)the Project of Zhoushan City Science and Technology Bureau (Grant No.2021C21015)the Training Program for Leading Talents in Universities of Zhejiang Province。
文摘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.
文摘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.