We consider some classes of generalized gap functions for two kinds of generalized variational inequality problems. We obtain error bounds for the underlying variational inequalities using the generalized gap function...We consider some classes of generalized gap functions for two kinds of generalized variational inequality problems. We obtain error bounds for the underlying variational inequalities using the generalized gap functions under the condition that the involved mapping F is g-strongly monotone with respect to the solution, but not necessarily continuous differentiable, even not locally Lipschitz.展开更多
A new smooth gap function for the box constrained variational inequality problem （VIP） is proposed based on an integral global optimality condition. The smooth gap function is simple and has some good differentiable...A new smooth gap function for the box constrained variational inequality problem （VIP） is proposed based on an integral global optimality condition. The smooth gap function is simple and has some good differentiable properties. The box constrained VIP can be reformulated as a differentiable optimization problem by the proposed smooth gap function. The conditions, under which any stationary point of the optimization problem is the solution to the box constrained VIP, are discussed. A simple frictional contact problem is analyzed to show the applications of the smooth gap function. Finally, the numerical experiments confirm the good theoretical properties of the method.展开更多
One of the classical approaches in the analysis of a variational inequality problem is to transform it into an equivalent optimization problem via the notion of gap function. The gap functions are useful tools in deri...One of the classical approaches in the analysis of a variational inequality problem is to transform it into an equivalent optimization problem via the notion of gap function. The gap functions are useful tools in deriving the error bounds which provide an estimated distance between a specific point and the exact solution of variational inequality problem. In this paper, we follow a similar approach for set-valued vector quasi variational inequality problems and define the gap functions based on scalarization scheme as well as the one with no scalar parameter. The error bounds results are obtained under fixed point symmetric and locally α-Holder assumptions on the set-valued map describing the domain of solution space of a set-valued vector quasi variational inequality problem.展开更多
The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elasti...The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elastic constants cij, bulk modulus B0 and the pressure derivative of bulk modulus B0 are calculated. The results are in good agreement with numerous experimental and theoretical data. From the usual condition of equal enthalpies, the phase transition from the ZB to the RS structure occurs at 21.9 GPa, which is close to the experimental value of 22.0 GPa. The elastic properties of GaP with the ZB structure in a pressure range from 0 GPa to 21.9 GPa and those of the RS structure in a pressure range of pressures from 21.9 GPa to 40 GPa are obtained. According to the quasi-harmonic Debye model, in which the phononic effects are considered, the normalized volume V/Vo, the Debye temperature 8, the heat capacity Cv and the thermal expansion coefficient a are also discussed in a pressure range from 0 CPa to 40 GPa and a temperature range from 0 K to 1500 K.展开更多
Two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , are proposed and studied numerically. The band gaps structures of the photonic c...Two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , are proposed and studied numerically. The band gaps structures of the photonic crystals for TE and TM waves are different from the two-dimensional conventional photonic crystals. Some absolute band gaps and semiDirac points are found. When the medium column radius and the function form of the dielectric constant are modulated, the numbers, width, and position of band gaps are changed, and the semi-Dirac point can either occur or disappear. Therefore,the special band gaps structures and semi-Dirac points can be achieved through the modulation on the two-dimensional function photonic crystals. The results will provide a new design method of optical devices based on the two-dimensional function photonic crystals.展开更多
Recently, Zhang et al. （Chin. Phys. B 26 024208 （2017）） investigated the band gap structures and semi-Dirac point of two-dimensional function photonic crystals, and the equations for the plane wave expansion metho...Recently, Zhang et al. （Chin. Phys. B 26 024208 （2017）） investigated the band gap structures and semi-Dirac point of two-dimensional function photonic crystals, and the equations for the plane wave expansion method were induced to obtain the band structures. That report shows the band diagrams with the effects of function coefficient k and medium column ra under TE and TM waves. The proposed results look correct at first glance, but the authors made some mistakes in their report. Thus, the calculated results in their paper are incorrect. According to our calculations, the errors in their report are corrected, and the correct band structures also are presented in this paper.展开更多
The structural, electronic, and optical properties of Cu2Zn1−xBaxSn1−ySiyS4 compounds have been calculated using GGA-PBE function within the framework of Density Functional Theory (DFT). In the present work, lattice p...The structural, electronic, and optical properties of Cu2Zn1−xBaxSn1−ySiyS4 compounds have been calculated using GGA-PBE function within the framework of Density Functional Theory (DFT). In the present work, lattice parameters remained the same, that is tetragonal crystal structure for 0% and 100% doping concentration. The electronic band gap of Cu2Zn1−xBaxSn1−ySiyS4 compounds has been gradually increased for continuous increment of doping concentration where the highest electronic band gap is 1.117 eV for Cu2BaSiS4 structure. Moreover, the band gap changes from direct to indirect band gap with the increase of doping concentration in the parent compound. The absorption coefficient has been found to be high (> 104 cm−1) in UV-region for all the doping concentration which makes the studied compound as a potential candidate of absorber layer in the UV detector. The theoretical study of the effect of double doping in the CZTS compound is very interesting for improving the quality of it and it would be a reference for the theoretical and experimental researchers.展开更多
基金supported by the National Natural Science Foundation of China (No. 10671050)the Natural Science Foundation of Heilongjiang Province of China (No. A200607)
文摘We consider some classes of generalized gap functions for two kinds of generalized variational inequality problems. We obtain error bounds for the underlying variational inequalities using the generalized gap functions under the condition that the involved mapping F is g-strongly monotone with respect to the solution, but not necessarily continuous differentiable, even not locally Lipschitz.
基金Project supported by the National Natural Science Foundation of China(Nos.10902077,11172209, and 10572031)
文摘A new smooth gap function for the box constrained variational inequality problem （VIP） is proposed based on an integral global optimality condition. The smooth gap function is simple and has some good differentiable properties. The box constrained VIP can be reformulated as a differentiable optimization problem by the proposed smooth gap function. The conditions, under which any stationary point of the optimization problem is the solution to the box constrained VIP, are discussed. A simple frictional contact problem is analyzed to show the applications of the smooth gap function. Finally, the numerical experiments confirm the good theoretical properties of the method.
文摘One of the classical approaches in the analysis of a variational inequality problem is to transform it into an equivalent optimization problem via the notion of gap function. The gap functions are useful tools in deriving the error bounds which provide an estimated distance between a specific point and the exact solution of variational inequality problem. In this paper, we follow a similar approach for set-valued vector quasi variational inequality problems and define the gap functions based on scalarization scheme as well as the one with no scalar parameter. The error bounds results are obtained under fixed point symmetric and locally α-Holder assumptions on the set-valued map describing the domain of solution space of a set-valued vector quasi variational inequality problem.
文摘The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elastic constants cij, bulk modulus B0 and the pressure derivative of bulk modulus B0 are calculated. The results are in good agreement with numerous experimental and theoretical data. From the usual condition of equal enthalpies, the phase transition from the ZB to the RS structure occurs at 21.9 GPa, which is close to the experimental value of 22.0 GPa. The elastic properties of GaP with the ZB structure in a pressure range from 0 GPa to 21.9 GPa and those of the RS structure in a pressure range of pressures from 21.9 GPa to 40 GPa are obtained. According to the quasi-harmonic Debye model, in which the phononic effects are considered, the normalized volume V/Vo, the Debye temperature 8, the heat capacity Cv and the thermal expansion coefficient a are also discussed in a pressure range from 0 CPa to 40 GPa and a temperature range from 0 K to 1500 K.
基金Project supported by the National Natural Science Foundations of China(Grant No.61275047)the Research Project of Chinese Ministry of Education(Grant No.213009A)the Scientific and Technological Development Foundation of Jilin Province,China(Grant No.20130101031JC)
文摘Two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , are proposed and studied numerically. The band gaps structures of the photonic crystals for TE and TM waves are different from the two-dimensional conventional photonic crystals. Some absolute band gaps and semiDirac points are found. When the medium column radius and the function form of the dielectric constant are modulated, the numbers, width, and position of band gaps are changed, and the semi-Dirac point can either occur or disappear. Therefore,the special band gaps structures and semi-Dirac points can be achieved through the modulation on the two-dimensional function photonic crystals. The results will provide a new design method of optical devices based on the two-dimensional function photonic crystals.
基金Project supported by the Special Grade of the Financial Support from the China Postdoctoral Science Foundation(Grant No.2016T90455)the China Postdoctoral Science Foundation(Grant No.2015M581790)the Chinese Jiangsu Planned Projects for Postdoctoral Research Funds,China(Grant No.1501016A)
文摘Recently, Zhang et al. （Chin. Phys. B 26 024208 （2017）） investigated the band gap structures and semi-Dirac point of two-dimensional function photonic crystals, and the equations for the plane wave expansion method were induced to obtain the band structures. That report shows the band diagrams with the effects of function coefficient k and medium column ra under TE and TM waves. The proposed results look correct at first glance, but the authors made some mistakes in their report. Thus, the calculated results in their paper are incorrect. According to our calculations, the errors in their report are corrected, and the correct band structures also are presented in this paper.
文摘The structural, electronic, and optical properties of Cu2Zn1−xBaxSn1−ySiyS4 compounds have been calculated using GGA-PBE function within the framework of Density Functional Theory (DFT). In the present work, lattice parameters remained the same, that is tetragonal crystal structure for 0% and 100% doping concentration. The electronic band gap of Cu2Zn1−xBaxSn1−ySiyS4 compounds has been gradually increased for continuous increment of doping concentration where the highest electronic band gap is 1.117 eV for Cu2BaSiS4 structure. Moreover, the band gap changes from direct to indirect band gap with the increase of doping concentration in the parent compound. The absorption coefficient has been found to be high (> 104 cm−1) in UV-region for all the doping concentration which makes the studied compound as a potential candidate of absorber layer in the UV detector. The theoretical study of the effect of double doping in the CZTS compound is very interesting for improving the quality of it and it would be a reference for the theoretical and experimental researchers.
