In order to analyze the electrostatic field concerned with electrostatic proximity fuze problem using the available finite analysis software package, the technology to model the problem with a scale reduction object a...In order to analyze the electrostatic field concerned with electrostatic proximity fuze problem using the available finite analysis software package, the technology to model the problem with a scale reduction object and boundary was presented. The boundary is determined by the maximum distance the sensor can detect. The object model is obtained by multiplying the terms in Poisson's equation with a scale reduction factor and the real value can be reconstructed with the same reverse process after software calculation. Using the finite element analysis program, the simulation value is close to the theoretical value with a little error. The boundary determination and scale reduction method is suitable to modeling the irregular electrostatic field around air targets, such as airplane, missile and so on, which is based on commonly used personal computer (PC). The technology reduces the calculation and storage cost greatly.展开更多
This paper reports the intrinsic-structure DC characteristics computed from the analytical electrochemical current theory of the bipolar field-effect transistor （BiFET） with two identical MOS gates on nanometer-thic...This paper reports the intrinsic-structure DC characteristics computed from the analytical electrochemical current theory of the bipolar field-effect transistor （BiFET） with two identical MOS gates on nanometer-thick pure-base of silicon with no generation-recombination-trapping. Numerical solutions are rapidly obtained for the three potential variables,electrostatic and electron and hole electrochemical potentials,to give the electron and hole surface and volume channel currents,using our cross-link two-route or zig-zag one-route recursive iteration algorithms. Boundary conditions on the three potentials dominantly affect the intrinsic-structure DC characteristics,illustrated by examples covering 20-decades of current （10-22 to 10-2 A/Square at 400cm^2/（V · s） mobility for 1.5nm gate-oxide, and 30nm-thick pure-base）. Aside from the domination of carrier space-charge-limited drift current in the strong surface channels,observed in the theory is also the classical drift current saturation due to physical pinch-off of an impure-base volume channel depicted by the 1952 Shockley junction-gate field-effect transistor theory,and its extension to complete cut-off of the pure-base volume channel,due to vanishing carrier screening by the few electron and hole carriers in the pure-base,with Debye length （25mm） much larger than device dimension （25nm）.展开更多
Density functional theory is applied to predicting the structures and electrostatic potentials of planar electrochemical surfaces within the framework of the restricted primitive model where small ions are represented...Density functional theory is applied to predicting the structures and electrostatic potentials of planar electrochemical surfaces within the framework of the restricted primitive model where small ions are represented by charged hard spheres of equal diameter and the solvent is assumed to be a continuous dielectric medium. The hard-sphere contribution to the excess Helmholtz energy functional is evaluated using the modified fundamentalmeasure theory and the electrostatic contribution is obtained from the quadratic functional Taylor expansion using the second-order direct correlation function from the mean-spherical approximation. Numerical results for the ionic density profiles and the mean electrostatic potentials near a planar surface of various charge densities are in excellent agreement with molecular simulations. In contrast to the modified Gouy-Chapman theory, the present density functional theory correctly predicts the second layer formation and charge inversion of charged surfaces as observed in simulations and in experiments. The theory has also been tested with the zeta potentials of positively charged polystyrene particles in aqueous solutions of KBr. Good agreement is achieved between the calculated and experimental results.展开更多
In the present work, an ideal Quadra-pole field has been realized by circular concave electrodes with a proper electrode angle The potential distribution in such an electrode system has been analyzed by assuming a sim...In the present work, an ideal Quadra-pole field has been realized by circular concave electrodes with a proper electrode angle The potential distribution in such an electrode system has been analyzed by assuming a simple boundary condition. The effect of the gap angle between the electrodes of the Quadra-pole lens on the optical properties has been studied such as the focal lengths, magnification and the chromatic aberration coefficient in the convergence and divergence planes.展开更多
We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary...We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary condition （J Chem Theory, Comput, 2014, 10： 534-542） to that with a parallelogrammic periodic boundary condition in general. Following the discussion of an efficient implementation of the formula, we suggest a simple setup of parameters using a relatively smaller screening factor and the associated larger real space cutoff distance to reach an optimized algorithm of an order N computational cost. The connection between the previous application of the Ewald sum to ionic crystal systems and the future application to mo- lecular self-assembly or disassembly systems on solid surfaces or at liquid-liquid interfaces ate illustrated to demonstrate the applicability of the present work to simulate the self-assembly process and to produce dynamical, structural and thermody- namic properties of experimental self-assembly systems of interest.展开更多
The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics ...The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics theory is proposed to obtain the distribution of extra charges induced by an external electric field and net electric charges stored in graphene.The electrostatic interactions between charged atoms are calculated using the coulomb law.The results show that the Young's modulus and the critical fracture stress under uniaxial tension decrease with the increase of electric potential and net charges on graphene.The failure of graphene induced by electric charges is found to be controlled by charge level.The results indicate that the carbon-carbon bonds at the edge of graphene will break first.展开更多
文摘In order to analyze the electrostatic field concerned with electrostatic proximity fuze problem using the available finite analysis software package, the technology to model the problem with a scale reduction object and boundary was presented. The boundary is determined by the maximum distance the sensor can detect. The object model is obtained by multiplying the terms in Poisson's equation with a scale reduction factor and the real value can be reconstructed with the same reverse process after software calculation. Using the finite element analysis program, the simulation value is close to the theoretical value with a little error. The boundary determination and scale reduction method is suitable to modeling the irregular electrostatic field around air targets, such as airplane, missile and so on, which is based on commonly used personal computer (PC). The technology reduces the calculation and storage cost greatly.
文摘This paper reports the intrinsic-structure DC characteristics computed from the analytical electrochemical current theory of the bipolar field-effect transistor （BiFET） with two identical MOS gates on nanometer-thick pure-base of silicon with no generation-recombination-trapping. Numerical solutions are rapidly obtained for the three potential variables,electrostatic and electron and hole electrochemical potentials,to give the electron and hole surface and volume channel currents,using our cross-link two-route or zig-zag one-route recursive iteration algorithms. Boundary conditions on the three potentials dominantly affect the intrinsic-structure DC characteristics,illustrated by examples covering 20-decades of current （10-22 to 10-2 A/Square at 400cm^2/（V · s） mobility for 1.5nm gate-oxide, and 30nm-thick pure-base）. Aside from the domination of carrier space-charge-limited drift current in the strong surface channels,observed in the theory is also the classical drift current saturation due to physical pinch-off of an impure-base volume channel depicted by the 1952 Shockley junction-gate field-effect transistor theory,and its extension to complete cut-off of the pure-base volume channel,due to vanishing carrier screening by the few electron and hole carriers in the pure-base,with Debye length （25mm） much larger than device dimension （25nm）.
文摘Density functional theory is applied to predicting the structures and electrostatic potentials of planar electrochemical surfaces within the framework of the restricted primitive model where small ions are represented by charged hard spheres of equal diameter and the solvent is assumed to be a continuous dielectric medium. The hard-sphere contribution to the excess Helmholtz energy functional is evaluated using the modified fundamentalmeasure theory and the electrostatic contribution is obtained from the quadratic functional Taylor expansion using the second-order direct correlation function from the mean-spherical approximation. Numerical results for the ionic density profiles and the mean electrostatic potentials near a planar surface of various charge densities are in excellent agreement with molecular simulations. In contrast to the modified Gouy-Chapman theory, the present density functional theory correctly predicts the second layer formation and charge inversion of charged surfaces as observed in simulations and in experiments. The theory has also been tested with the zeta potentials of positively charged polystyrene particles in aqueous solutions of KBr. Good agreement is achieved between the calculated and experimental results.
文摘In the present work, an ideal Quadra-pole field has been realized by circular concave electrodes with a proper electrode angle The potential distribution in such an electrode system has been analyzed by assuming a simple boundary condition. The effect of the gap angle between the electrodes of the Quadra-pole lens on the optical properties has been studied such as the focal lengths, magnification and the chromatic aberration coefficient in the convergence and divergence planes.
基金supported by the National Natural Science Foundation of China(91127015,21103063(Z.H.))
文摘We extend the recent formulation of the Ewald sum for electrostatics in a two-dimensionally periodic three-dimensional multi- atom layer or two-dimensional single-atom layer system with a rectangular periodic boundary condition （J Chem Theory, Comput, 2014, 10： 534-542） to that with a parallelogrammic periodic boundary condition in general. Following the discussion of an efficient implementation of the formula, we suggest a simple setup of parameters using a relatively smaller screening factor and the associated larger real space cutoff distance to reach an optimized algorithm of an order N computational cost. The connection between the previous application of the Ewald sum to ionic crystal systems and the future application to mo- lecular self-assembly or disassembly systems on solid surfaces or at liquid-liquid interfaces ate illustrated to demonstrate the applicability of the present work to simulate the self-assembly process and to produce dynamical, structural and thermody- namic properties of experimental self-assembly systems of interest.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11072093 and 11121202)
文摘The effect of electric charge on the mechanical properties of graphene under tensile loading is investigated by using molecular dynamics method.A modified atomistic moment method based on the classical electrostatics theory is proposed to obtain the distribution of extra charges induced by an external electric field and net electric charges stored in graphene.The electrostatic interactions between charged atoms are calculated using the coulomb law.The results show that the Young's modulus and the critical fracture stress under uniaxial tension decrease with the increase of electric potential and net charges on graphene.The failure of graphene induced by electric charges is found to be controlled by charge level.The results indicate that the carbon-carbon bonds at the edge of graphene will break first.
