An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system

A linear algebraic theory called the 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculations with generalized eigenvalue equations. A set of linear equations, in the form of (zS - H)x = b, are solved simultaneously with multiple Krylov subspaces. The method is implemented in a simulation package ELSES (www.elses.jp) with tight-binding-form Hamiltonians. A finite-temperature molecular dynamics simulation is carried out for metallic and insulating materials. A calculation with 10(7) atoms was realized by a workstation. The parallel efficiency is shown up to 1024 CPU cores.     

On the Joint Distribution of Observables

A general algebraic system M is considered with two binary operations. The family of all measurable functions with values in the unit interval is a motivating example. A state is a morphism from M to the unit interval, an observable is a morphism from the family of Borel sets to M. A joint distribution of two observables is constructed. It is applied for the construction of the sum of observables and for a representation of conditional probability.     

一种新型分凝分离式混合工质内复叠节流制冷机的实验研究

混合工质节流制冷机正在许多方面获得越来越广泛的应用。文中提出了一种新型分凝分离式内复叠节流制冷循环 ,设计了一种具有内部传热和传质的分凝分离器并用此来代替传统的气液分离器 ;建立了相应的单级油润滑制冷压缩机驱动的实验系统 ,并分别进行了 1 2 0 K和 1 80 K两个温区的实验研究。在 1 30 K时获得了 60 W的制冷量 ;1 35K时获得了 74W的制冷量 ;1 55K时获得了 2 65W的制冷量。     

Piston-type radiator in a soft screen in the pekeris waveguide

A model problem is considered for a radiator in the form of a circular disk with a given pressure jump at its surface. The radiator is inserted in a soft screen coinciding with the upper boundary of the Pekeris waveguide. A series expansion of the sound field in normal modes is obtained. A numerical analysis of the radiation impedance and its components that are responsible for the radiation into the waveguide and into the halfspace is carried out.     

Cosmological Models with Rotation

A stationary cosmological model with rotation is constructed for the Ozsvath–Schucking metric where perfect fluid which is not comoving with the system is a source of the gravitational field. A nonstationary cosmological model for the Bianchi metric of type IX is also developed. This is characterized by expansion, rotation and acceleration. A co-moving with the system anisotropic liquid is a source of the gravitational field in this model.     

Theory of frequency modulation spectroscopy of coherent dark resonances

The interaction of a three-level atom in the A configuration with a frequency-modulated (FM) field is analyzed theoretically for the first time. The two-frequency model for solving the problem of frequency modulation spectroscopy of coherent dark resonances is described and analyzed for a three-level A system. The effectiveness of the two-frequency model is demonstrated by comparing the results obtained using this model with the results of solving the exact problem of interaction of a A system with an FM field, which can be solved by the density matrix method. It is shown that the simple two-frequency model corresponds to the exact solution and is in qualitative agreement with experimental data.     

Interference microscopy for three-dimensional imaging with wavelength-to-depth encoding

A novel interference microscope for three-dimensional (3D) imaging based on a wavelength-to-depth encoding technique is presented. Wavelength-to-depth encoding is realized by use of a diffractive lens and wavelength tuning. A high depth resolution of 0.71 mum is obtained with 0.90-N.A. objective lenses. Experimental measurements of a four-level grating are presented, and the results are found to be comparable with those obtained with a Dektak profilometer and a similar interference microscope that uses mechanical depth scanning. The system is promising for fast, noncontact, high-resolution 3D imaging.     

Secondary ion mass spectrometer based on a high-dose ion implanter

A secondary ion mass spectrometer built around a modified high-dose ion implanter is used to study secondary ion emission in metals over a wide range of primary beam energies. The implanter generates ion beams with energies of up to 150 keV and a substrate current to 30 μA. A modified MX7304A monopole mass spectrometer is applied as an analyzer of secondary ions with mass numbers of up to 400 with a resolution of 1 M at a level of 10% of the peak height. The detection limit for iron is 6.5 ppm. The analyzer is equipped with a small-size filter separating secondary ions in energy. The relative emission intensities of the secondary monatomic and cluster ions of copper for different primary ion beam parameters are studied.     

Distribution corresponding to classical thermodynamics

A distribution corresponding to classical thermodynamics is constructed. The concept of degrees of freedom is generalized and a concept of temperature-dependent number of collective degrees of freedom is introduced. A relationship between the theory of numbers and mesoscopic physics is established. A geometric interpretation of spinodal as a curve of maximum entropy and as a catastrophe in a quasi-static Caratheodory process is given. A concept of local ideal gas is introduced. The phase transition of fluids to a dispersed system is determined. The distribution obtained is numerically compared with the distribution for a van der Waals gas in the Hougen-Watson diagram.     

Correlation mechanism of negative differential resistance for tunneling through a molecule

A model for electron transport through a single molecule with two electronic states, one of which is strongly hybridized with contacts and the other is localized, has been investigated. A solution for this model in the limit of strong intramolecular Coulomb interaction is found. A mechanism of negative differential resistance caused by strong intramolecular correlations is revealed.     

A 35-GHz low-voltage third-harmonic gyrotron with a permanent magnet system

A systematic theoretical and experimental study on a 35-GHz 45-kV third-harmonic gyrotron with a permanent magnet system is presented in this paper. A complex cavity with gradual transition and a diode magnetron injection gun (MIG) are employed in the gyrotron. A self-consistent field nonlinear theoretical investigation and numerical simulation for electron beam interaction with RF fields are given. The diode MIG is simulated numerically utilizing our code in detail. The permanent magnet system provided the maximum axial magnetic field of about 4.5 kG in the cavity region of the gyrotron. The Ka band third-harmonic complex cavity gyrotron with a permanent magnet system has been designed, constructed, and tested. A pulse output power of 147.3 kW was obtained at a beam voltage of 45 kV with beam current of 32.2 A, corresponding to an efficiency of 10.2%.     

平顶型蚀刻衍射光栅波分复用器优化设计

本文对利用多模干涉(MMI)结构实现解复用器蚀刻衍射光栅(EDG)频谱平坦化的设计方法进行了改进.通过使用预展宽输入结构把带间串扰降到很低值;通过使用抛物线型多模干涉区,把带通纹波减小到接近于零的同时,大大增加了1dB带宽,最终得到了平坦化效果最佳的设计方法.作为例子,最后给出了两种不同频带间隔下的最优设计尺寸.     

Strong persistence of an attractor and generalized partial synchronization in a coupled chaotic system

It is widely believed that when two discrete time chaotic systems are coupled together then there is a contraction in the phase space (where the essential dynamics takes place) when compared with the phase space in the uncoupled case. Contrary to such a popular belief, we produce a counter example--we consider two discrete time chaotic systems both with an identical attractor A, and show that the two systems could be nonlinearly coupled in a way such that the coupled system's attractor persists strongly, i.e., it is A?×?A despite the coupling strength is varied from zero to a nonzero value. To show this, we prove robust topological mixing on A?×?A. Also, it is of interest that the studied coupled system can exhibit a type of synchronization called generalized partial synchronization which is also robust.     

Creating planar electrode systems for biosensors

A planar topology for a nanoelectronic transducer based on glucose oxidase is designed for use in an enzymatic biosensor. Electromigration is used to create 5-nm gaps in Au nanowires. A method for the chemical modification of a silica surface with epoxysilane is developed and glucose oxidase is immobilized on the surface of a support by means of linking molecules. A technique for biochemical signal registration is developed. The eelectric response of the biosensor with glucose in a test solution and the dependence of this response on the glucose concentration are investigated.     

级间耦合传输线脉冲变压器

级间有耦合传输线的脉冲变压器除第一级传输线外所有传输线均绕制在同一磁芯上。利用电路等效法对该变压器进行了理论分析,结果表明:相比采用其他绕线结构的传输线变压器,该传输线变压器的顶降更低,而且仅需要一块磁芯。根据该设计方法,研制了一台四级传输线脉冲变压器,变压器的输入阻抗为4.2Ω,输出阻抗为67.7Ω。利用该变压器对脉冲形成网络(PFN)形成的脉冲进行电压变换,变压器匹配负载上输出电压脉冲脉宽为120 ns,前沿为20 ns。该脉冲幅值是PFN对4.2Ω负载直接放电形成脉冲幅值的4倍,且两者波形基本一致。     

Two-Band Model for High Tc Superconductivity

A two-band model is dealt with by the canonical perturbation theory of projection operators. An effective Hamiltonian with Cu-Cu, Cu-O and O-O couplings is obtained. A unified treatment for such a coupled system gives the variations of transition temperatures for Cu-Cu, Cu-O and O-O parings with the concentration of O-holes. A window of δ for superconductivity is obtaihed and compared with experimental data qualitatively and quantitatively.     

Some general problems of fast electrons transport

A generalization is given of the segments method in the form of a multistep method with generalized time for computing the transport of fast particles. The integral equation for a flow with generalized time in the phase space of variables is written under the assumption that the flow cuts the generalized time surface at right angles. The Green's function for the differential flow operator is the kernel of the integral equation. It is also shown that such an integral equation which can be obtained from a nonstationary kinetic equation provides a uniform consistent algorithm for solving either nonstationary or stationary problems. Examples of Green's functions are given for an operator of differential flow of fast electrons.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 110–114, August, 1974.The author would like to express his thanks to A. A. Vorob'ev and B. A. Kononov for their encouragement, to A. P. Yalovets for discussing the work with him, and to A. M. Kol'chuzhkin for going through the text.     

The ground state of a strongly correlated fermion system in a magnetic field

A new variational method is used to investigate the ground state of the Hubbard model with a half-filled band for a one-dimensional chain, a planar square lattice, and a simple cubic lattice. A metamagnetic transition is found to occur in a one-dimensional chain and a simple square lattice. A simple cubic lattice does not undergo the metamagnetic transition.     

近完美晶体X射线统计动力学

将Ｔａｋａｇｉ－Ｔａｕｐｉｎ方程的一种新的表述形式应用于近完美晶体中，得到存在随机分布的微小晶格畸变时，近完美晶体的衍射统计动力学方程。引出静态Ｄｅｂｙｅ－Ｗａｌｌｅｒ因子表征晶体的完美性，并得到Ｌａｕｅ衍射条件下一束窄的入射Ｘ射线在晶体中激发的波场的强度分布表达式；讨论了该表达式在研究晶体中ｎｍ数量级点状微缺陷方面的应用． 关键词：