PbWO4晶体空位型缺陷电子结构的研究

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词： PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布     

Coverage dependent magnetic properties of Co chain-coated carbon nanotube

Magnetic properties of Co chain-coated carbon nanotube (CNT) were investigated using a first-principles calculation. Binding energy between Co chain and CNT increased with the coverage ratio, and the adsorption of Co chains on CNT enhanced the conductance channel. Total magnetic moment of Co chains coated on CNT increased with the coverage ratio, while the magnetic moment per Co atom decreased due to spin flip of majority spin states in Co atoms. Spin polarization at the Fermi level of the Co chains was calculated to converge to that of bulk fcc Co.     

Difference discrete connection and curvature on cubic lattice Dedicated to Professor Sheng GONG on the occasion of his 75th birthday

In a way similar to the continuous case formally, we define in different but equivalent manners the difference discrete connection and curvature on discrete vector bundle over the regular lattice as base space. We deal with the difference operators as the discrete counterparts of the derivatives based upon the differential calculus on the lattice. One of the definitions can be extended to the case over the random lattice. We also discuss the relation between our approach and the lattice gauge theory and apply to the discrete integrable systems.     

Fast algorithms for determining the linear complexities of sequences over GF(pm) with the period 3n

In this paper, for the the primes p such that 3 is a divisor of p − 1, we prove a result which reduces the computation of the linear complexity of a sequence over GF(p ^m) (any positive integer m) with the period 3n (n and p ^m − 1 are coprime) to the computation of the linear complexities of three sequences with the period n. Combined with some known algorithms such as generalized Games-Chan algorithm, Berlekamp-Massey algorithm and Xiao-Wei-Lam-Imamura algorithm, we can determine the linear complexity of any sequence over GF(p ^m) with the period 3n (n and p ^m − 1 are coprime) more efficiently.     

Plasticity field adjacent to faces of asperities on a rotating roll after initial indentation into a half-space

The plastic deformation field near the horizontal surface of a half space of perfectly plastic material associated with an indenting rotating rigid tooth is studied using slip line theory. The tooth is one of many on a roll surface and indents first into the half-space material and then rotates about the roll center. A slip line field is proposed for the deforming plastic region and a solution scheme is outlined. The emphasis is on determining the shape of the deforming region, especially that of the free surface. The study has a potential application in roughness transfer in metal forming processing.     

Duffing方程的唯三周期解问题

考虑Duffing方程x+g(x,t)=h(t),在g(x,t)满足简单的凸凹性条件。以及g＇(x,t)跨越第一共振点时,本文指出,当强迫振动项h(t)充分小时,所讨论的Duffing方程的2π周期解恰有三个.     

Fluid and diffusion limits for transient sojourn times of processor sharing queues with time varying rates

We provide an approximate analysis of the transient sojourn time for a processor sharing queue with time varying arrival and service rates, where the load can vary over time, including periods of overload. Using the same asymptotic technique as uniform acceleration as demonstrated in [12] and [13], we obtain fluid and diffusion limits for the sojourn time of the M_t/M_t/1 processor-sharing queue. Our analysis is enabled by the introduction of a “virtual customer” which differs from the notion of a “tagged customer” in that the former has no effect on the processing time of the other customers in the system. Our analysis generalizes to non-exponential service and interarrival times, when the fluid and diffusion limits for the queueing process are known.     

Phase transformation of Ni-B, Ni-P diffusion barrier deposited electrolessly on Cu interconnect

In this paper, we report that the phase transformation of Ni-B, Ni-P diffusion barriers deposited electrolessly on Cu, for the reason that the Ni-P layer is a more effective diffusion barrier than the Ni-B layer. The Ni₃B crystallized was decomposed to Ni and B₂O₃ above 400 °C and the Ni₃P crystallized was decomposed to Ni and P₂O₅ above 600 °C respectively in Ar atmosphere. Also, the Ni₃B was decomposed to Ni and free B above 400 °C and the Ni₃P was decomposed to Ni and free P above 600 °C respectively in H₂ atmosphere. The decomposed Ni formed a solid solution with Cu. The Cu diffusion occurred above 400 °C for Ni-B layer and above 600 °C for Ni-P layer, respectively. Because the decomposition temperature of Ni-P layer is about 200 °C higher than that of Ni-B layer, the Ni-P layer is a more effective barrier for Cu than the Ni-B layer.     

Comparison of the boundary theory with the contact rule of phase regions and Gupta’s method

The phase boundary theory and the contact rule of phase regions are compared, and some weaknesses of the latter are manifested. The comparison between the Gupta’s method and the boundary theory method for constructing multicomponent isobaric sections is also presented.     

Pulsed laser deposition of nanostructured Ag films

Ultra-thin (0.5-5 nm) films of Ag have been prepared by pulsed laser deposition in vacuum using a 26 ns KrF excimer laser at 1 J cm⁻². The deposition was controlled using a Langmuir ion probe and a quartz crystal thickness monitor. Transmission electron microscopy showed that the films are not continuous, but are structured on nanometer size scales. Optical absorption spectra showed the expected surface plasmon resonance feature, which shifted to longer wavelength and increased in strength as the equivalent film thickness was increased. It is shown that Maxwell Garnett effective medium theory can be used to calculate the main features of optical absorption spectra.