The pressure dependences of elastic and lattice dynamic properties of AlAs from ab initio calculations

Ab initio calculations,based on norm-conserving nonlocal pseudopotentials and density functional theory(DFT),are performed to investigate the structural,elastic,dielectric,and vibrational properties of aluminum arsenide(AlAs) with a zinc-blende(B3) structure and a nickel arsenide(B81) structure under hydrostatic pressure.Firstly,the path for the phase transition from B3 to B81 is confirmed by analyzing the energies of different structures,which is in good agreement with previous theoretical results.Secondly,we find that the elastic constants,bulk modulus,static dielectric constants,and the optical phonon frequencies vary in a nearly linear manner under hydrostatic pressure.What is more,the softening mode of the transversal acoustic mode at the X point supports the phase transition in AlAs.     

Spin gapless armchair graphene nanoribbons under magnetic field and uniaxial strain

Using Green＇s function method, we investigate the spin transport properties of armchair graphene nanoribbons （AG- NRs） under magnetic field and uniaxial strain. Our results show that it is very difficult to transform narrow AGNRs directly from semiconductor to spin gapless semiconductors （SGS） by applying magnetic fields. However, as a uniaxial strain is exerted on the nanoribbons, the AGNRs can transform to SGS by a small magnetic field. The combination mode be- tween magnetic field and uniaxial strain displays a nonmonotonic arch-pattern relationship. In addition, we find that the combination mode is associated with the widths of nanoribbons, which exhibits group behaviors.     

Double-slit diffraction of terahertz wave generated by tilted-pulse-front pumping

We propose a spatial diffraction diagnostic method via inserting a millimeter-gap double slit into the collimated terahertz beam to monitor the minute variation of the terahertz beam in strong-field terahertz sources, which is difficult to be resolved in conventional terahertz imaging systems. To verify the method, we intentionally fabricate tiny variations of the terahertz beam through tuning the iris for the infrared pumping beam before the tilted-pulse-front pumping setups.The phenomena can be well explained by the theory based on the tilted-pulse-front technique and terahertz diffraction.     

Nonequilibrium Thermodynamics in Biochemical Systems and Its Application

Living systems are open systems, where the laws of nonequilibrium thermodynamics play the important role. Therefore, studying living systems from a nonequilibrium thermodynamic aspect is interesting and useful. In this review, we briefly introduce the history and current development of nonequilibrium thermodynamics, especially that in biochemical systems. We first introduce historically how people realized the importance to study biological systems in the thermodynamic point of view. We then introduce the development of stochastic thermodynamics, especially three landmarks: Jarzynski equality, Crooks’ fluctuation theorem and thermodynamic uncertainty relation. We also summarize the current theoretical framework for stochastic thermodynamics in biochemical reaction networks, especially the thermodynamic concepts and instruments at nonequilibrium steady state. Finally, we show two applications and research paradigms for thermodynamic study in biological systems.     

The traveling purchaser problem with stochastic prices: Exact and approximate algorithms

The paper formulates an extension of the traveling purchaser problem where multiple types of commodities are sold at spatially distributed locations with stochastic prices (each following a known probability distribution). A purchaser’s goal is to find the optimal routing and purchasing strategies that minimize the expected total travel and purchasing costs needed to purchase one unit of each commodity. The purchaser reveals the actual commodity price at a seller upon arrival, and then either purchases the commodity at the offered price, or rejects the price and visits a next seller. In this paper, we propose an exact solution algorithm based on dynamic programming, an iterative approximate algorithm that yields bounds for the minimum total expected cost, and a greedy heuristic for fast solutions to large-scale applications. We analyze the characteristics of the problem and test the computational performance of the proposed algorithms. The numerical results show that the approximate and heuristic algorithms yield near-optimum strategies and very good estimates of the minimum total cost.     

Cr和W掺杂的单层MoS2电子结构的第一性原理研究

采用密度泛函理论框架下的第一性原理平面波赝势方法, 研究了Cr和W掺杂对单层二硫化钼(MoS₂)晶体的电子结构性质的影响. 计算结果表明: 当掺杂浓度较高时, W对MoS₂的能带结构几乎没有影响, 而Cr的掺杂则影响很大, 表现为能带由直接带隙变为间接带隙, 且禁带宽度减小. 通过进一步分析, 得出应力的产生是导致Cr掺杂的MoS₂电子结构变化的最直接的原因.     

Compact,wide aperture X-ray preionized XeCl laser with high specific optical power

An X-ray preionized, discharge-pumped XeCl laser with a variable beam cross-section of up to 6×6 cm² is described. It uses flat electrodes and the beam width is determined by X-ray collimation. Its operation characteristics concerning reduced electric field strength (E/p) and X-ray dose are discussed in detail. The inductance of the discharge loop is minimized using a water capacitor arrangement. A very high specific optical power (90 MW/l) is achieved in an active volume of 1.2 l. The pulse energy exceeds 5 J in a 45 ns pulse (FWHM). Komatsu Ltd., Manda 1200, Hiratsuka-shi, Kanagawa 254, Japan Institute of Optics and Fine Mechanics, Department of Plasma Physics, Academia Sinica, Shanghai, P.R. China     

应力对硅烯上锂吸附的影响

本文采用基于密度泛函理论的第一性原理平面波赝势方法研究了双轴应力作用下锂原子吸附硅烯的结构及其稳定性. 计算结果表明,在拉应力和一定的压应力作用下,锂吸附的硅烯体系基本保持原有的结构. 而当更大的压应力作用时,硅烯产生了向锂原子方向凸起的结构变化,所得到的体系的总能也有明显地下降. 本文通过对各种应力下的硅烯声子谱的计算,分析了在压应力作用下锂吸附的硅烯结构不稳定的原因. 关键词： 硅烯 应力 第一性原理 声子谱     

疾病传播与级联失效相互作用的研究:度不相关网络中疾病扩散条件的分析

在网络科学中,对疾病传播和级联失效的研究分属两个独立的领域,但在实际中存在许多两个过程相互耦合的情况. 比如在通信网络中,病毒传播会对数据传输造成影响,导致网络中负载变化,进而可能引发级联失效. 这个现象已被观察到. 通过建立两个动态过程相互作用的模型及针对该模型的分析,本文给出了计入节点的负载和容量时疾病爆发的条件. 这一条件是由描述疾病传播速率的传播概率与描述节点容量大小的冗余系数共同决定的. 进一步探讨表明,当疾病传播速率一定而冗余系数变化时,疾病恰好开始传播的临界点附近未感染且未失效的节点的数量是最大的,即在此点上网络处于最佳工作状态. 因此给出疾病爆发的临界条件具有重要意义. 关键词： 复杂网络 疾病传播 级联失效     

Stochastic Accelerated Alternating Direction Method of Multipliers with Importance Sampling

In this paper, we incorporate importance sampling strategy into accelerated framework of stochastic alternating direction method of multipliers for solving a class of stochastic composite problems with linear equality constraint. The rates of convergence for primal residual and feasibility violation are established. Moreover, the estimation of variance of stochastic gradient is improved due to the use of important sampling. The proposed algorithm is capable of dealing with the situation, where the feasible set is unbounded. The experimental results indicate the effectiveness of the proposed method.