稀土X (X=La、Ce、Pr、Nd)修饰单层h-MoS2的NO气敏性

为提高h-MoS₂对NO的气敏性,采用第一性原理研究了X(X=La、Ce、Pr和Nd)对h-MoS₂的稳定性、吸附特性、功函数和伏安特性的影响.研究结果表明：X(X=La、Ce、Pr和Nd)取代Mo原子后得到的形成能均为负,说明掺杂体系容易形成且稳定存在.同时X掺杂后的h-MoS₂布居数相比于未掺杂前的大,也说明掺杂有利于体系稳定.NO吸附在La、Ce原子顶部位置的吸附能为-1.215 eV、-1.225 eV,吸附距离分别为2.475?、2.854?,具有明显的化学吸附特征.同时Hirshfeld转移电荷分别为0.213e和0.325e,具有明显的受体特征,提高了气敏性.La和Ce掺杂后能明显改变功函数的大小,也说明La和Ce能提高h-MoS₂对NO的气敏性.施加电场后能有效提高Pr掺杂体系的吸附强度,增大Hirshfeld转移电荷,对功函数的改变最大,所以电场对Pr掺杂体系的影响非常明显.通过分析掺杂体系的伏安特性曲线,La、Ce两掺杂体系的电流分别由0增大到5.3μA和4.8μA,而Pr、Nd...     

两个相邻目标对平面波、高斯波束的光散射

基于等效原理和互易性定理研究了两个靠近目标对平面波、高斯波束的光散射问题,给出了这一复合光散射模型的二阶散射结果。通常一阶散射结果容易求解,但由于耦合效应的复杂性,很难给出二阶散射结果的解析形式。为了解决这一问题,应用互易性定理给出了求解任意相邻介质目标二阶散射场的公式,同时借助等效原理将求解散射场公式中的体积分简化为面积分的形式,从而降低了求解难度。求解了两相邻球形粒子的复合散射场,并将求解结果与应用时域积分方程法求得的结果进行了比较。同时,还讨论了束腰半径、目标位置对散射截面及偏振度的影响。     

关于左手性介质几何光学的研究(一)

根据几何光学中的费马原理和完善成像原理研究了光线经过正负折射率界面时的传播特性,推导了单负折射率完善成像的曲面方程,讨论了单块负折射率透镜成像特性的一些缺陷及改进方案,依此指出了最短时间原理的适用范围的局限性和利用左手性介质制作光学器件的优越性,为进一步研究左手性介质的光学特性和相关光学器件设计提供了理论基础.     

A Positive Solution of Mixed Non-Linear Fractional Delay Differential Equations with Integral Boundary Conditions

In this paper, we study mixed non-linear fractional delay differential equations with integral boundary conditions. We obtain an equivalence result between the proposed problem and non-linear Fredholm integral equation of the second kind. Further, we establish existence and uniqueness of positive solutions for the problem using Guo-Krasnoseleskii’s fixed point theorem and Banach contraction principle.     

No Preferred Reference Frame at the Foundation of Quantum Mechanics

Quantum information theorists have created axiomatic reconstructions of quantum mechanics (QM) that are very successful at identifying precisely what distinguishes quantum probability theory from classical and more general probability theories in terms of information-theoretic principles. Herein, we show how one such principle, Information Invariance and Continuity, at the foundation of those axiomatic reconstructions, maps to “no preferred reference frame” (NPRF, aka “the relativity principle”) as it pertains to the invariant measurement of Planck’s constant h for Stern-Gerlach (SG) spin measurements. This is in exact analogy to the relativity principle as it pertains to the invariant measurement of the speed of light c at the foundation of special relativity (SR). Essentially, quantum information theorists have extended Einstein’s use of NPRF from the boost invariance of measurements of c to include the SO(3) invariance of measurements of h between different reference frames of mutually complementary spin measurements via the principle of Information Invariance and Continuity. Consequently, the “mystery” of the Bell states is understood to result from conservation per Information Invariance and Continuity between different reference frames of mutually complementary qubit measurements, and this maps to conservation per NPRF in spacetime. If one falsely conflates the relativity principle with the classical theory of SR, then it may seem impossible that the relativity principle resides at the foundation of non-relativisitic QM. In fact, there is nothing inherently classical or quantum about NPRF. Thus, the axiomatic reconstructions of QM have succeeded in producing a principle account of QM that reveals as much about Nature as the postulates of SR.     

大尺寸电阻加热式碳化硅晶体生长热场设计与优化

大尺寸低缺陷碳化硅(SiC)单晶体是功率器件和射频(RF)器件的重要基础材料,物理气相传输(physical vapor transport, PVT)法是目前生长大尺寸SiC单晶体的主要方法。获得大尺寸高品质晶体的核心是通过调节组分、温度、压力实现气相组分在晶体生长界面均匀定向结晶,同时尽可能减小晶体的热应力。本文对电阻加热式8英寸(1英寸=2.54 cm)碳化硅大尺寸晶体生长系统展开热场设计研究。首先建立描述碳化硅原料受热分解热质输运及其多孔结构演变、系统热输运的物理和数学模型,进而使用数值模拟方法研究加热器位置、加热器功率和辐射孔径对温度分布的影响及其规律,并优化热场结构。数值模拟结果显示,通过优化散热孔形状、保温棉的结构等设计参数,电阻加热式大尺寸晶体生长系统在晶锭厚度变化、多孔介质原料消耗的情况下均能达到较低的晶体横向温度梯度和较高的纵向温度梯度。     

SnSxSe2-x单晶纳米片的可控制备与表征

锡二硫族化合物可以通过改变硫和硒的含量来连续调控三元合金材料的带隙、载流子浓度等物理化学性质,在电子和光电子器件应用上具有巨大的潜力。本文采用化学气相沉积(CVD)技术可控地制备了不同元素组分的SnS_xSe_2-x(x=0,0.2,0.5,0.8,1.0,1.2,1.5,1.8,2.0)单晶纳米片。采用扫描电子显微镜(SEM)、原子力显微镜(AFM)、能量色散X射线光谱(EDS)、透射电子显微镜(TEM)以及拉曼光谱等手段对SnS_xSe_2-x纳米片进行了综合表征。结果表明本方法成功实现了元素百分比可调的SnS_xSe_2-x单晶纳米片的可控制备。重点研究了依赖于元素百分比的SnS_xSe_2-x的拉曼特征谱,实验结果与基于密度泛函理论(DFT)的第一性原理计算得到的SnS_xSe_2-x的拉曼仿真谱高度吻合,理论计算结果较好地诠释了实验拉曼光谱发生变化的原因。本研究提供了一种元素百分比可调的三元SnS_xSe_2-x单晶纳米片的可控制备方法,同时对锡二硫族化合物的明确、无损识别提供了方案。     

TFSI钝化晶体硅表面性质的第一性原理研究

晶体硅表面钝化是高效率晶体硅太阳能电池的核心技术,直接影响晶体硅器件的性能。本文采用第一性原理方法研究了一种超强酸-双三氟甲基磺酰亚胺(TFSI)钝化晶体硅(001)表面。研究发现,TFSI的四氧原子结构能够与Si(001)表面Si原子有效成键,吸附能达到-5.124 eV。电子局域函数研究表明,TFSI的O原子与晶体硅表面的Si的成键类型为金属键。由态密度和电荷差分密度分析可知,Si表面原子的电子向TFSI转移,从而有效降低了Si表面的电子复合中心,有利于提高晶体硅的少子寿命。Bader电荷显示,伴随着TFSI钝化晶体硅表面的Si原子,表面Si原子电荷电量减少,而TFSI中的O原子和S原子电荷电量相应增加,进一步证明了TFSI钝化Si表面后的电子转移。该工作为第一性原理方法预测有机强酸钝化晶体硅表面的钝化效果提供了数据支撑。     

Investigation of Heisenberg algebra for a modified anti-de Sitter and modified antiSnyder models

In this paper,we consider a possible modification of the de Sitter and anti-de Sitter space for the extended uncertainty principle.For the modified anti-de Sitter model we discuss the representation and wave functions of the momentum operator for a one-dimensional box problem.Also,we consider modified Snyder and anti-Snyder models for the generalized uncertainty principle.Then,we assume the Hamiltonian with different potential and solve the Heisenberg algebra for the modified(anti)-de Sitter and(anti)-Snyder models in both position and in the momentum space.     

Multiple rogue wave and solitary solutions for the generalized BK equation via Hirota bilinear and SIVP schemes arising in fluid mechanics

The multiple lump solutions method is employed for the purpose of obtaining multiple soliton solutions for the generalized Bogoyavlensky-Konopelchenko(BK) equation. The solutions obtained contain first-order, second-order, and third-order wave solutions. At the critical point,the second-order derivative and Hessian matrix for only one point is investigated, and the lump solution has one maximum value. He's semi-inverse variational principle(SIVP) is also used for the generalized BK equation. Three major cases are studied, based on two different ansatzes using the SIVP. The physical phenomena of the multiple soliton solutions thus obtained are then analyzed and demonstrated in the figures below, using a selection of suitable parameter values.This method should prove extremely useful for further studies of attractive physical phenomena in the fields of heat transfer, fluid dynamics, etc.