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。     

Li原子掺杂C28单分子器件的热自旋输运性质

利用第一性原理对Li原子掺杂C₂₈的分子器件的热自旋输运性质进行了计算。在不同的温度场下,上下自旋分别为Li原子掺杂C₂₈的分子器件中的空穴和电子提供了输运通道,在MJ₁和MJ₃分子器件中,热自旋电流随着温度增加而增大,但在MJ₂分子器件中,热自旋电流先增大再减小。三种分子器件都出现了自旋塞贝克效应,MJ₂还出现了负微分电阻现象,利用费米-狄拉克分布和自旋输运谱对其物理机理进行了解释。根据Li掺杂C₂₈的单分子器件的热自旋输运性质,可设计新的自旋纳米器件。     

New lower bounds on the radius of spatial analyticity for the KdV equation

The radius of spatial analyticity for solutions of the KdV equation is studied. It is shown that the analyticity radius does not decay faster than $t^{?1/4}$ as time t goes to infinity. This improves the works of Selberg and da Silva (2017) [30] and Tesfahun (2017) [34]. Our strategy mainly relies on a higher order almost conservation law in Gevrey spaces, which is inspired by the I-method.     

Synthesis of Highly Functionalized N,N-Diarylamides by an Anodic C,N-Coupling Reaction

We report an innovative, sustainable and straightforward protocol for the synthesis of N,N-diarylamides equipped with nonprotected hydroxyl groups by using electrosynthesis. The concept allows the application of various substrates furnishing diarylamides with yields up to 57 % within a single and direct electrolytic protocol. The method is thereby easy to conduct in an undivided cell with constant current conditions offering a versatile and short-cut alternative to conventional pathways.     

Red shifting of absorption maxima of phenothiazine based dyes by incorporating electron-deficient thiadiazole derivatives as π-spacer

This study was carried out to design phenothiazine based dyes by incorporating electron-deficient thiadiazole derivatives as π-spacer. Density functional theory and time-dependent density functional theory calculations of the geometries, electronic structures and absorption spectra of the dyes before and after binding to titanium oxide were carried out. Effects of the electron-deficient units on the spectra and electrochemical properties have been investigated. Compared with the reference compound CS1A, Dyes 1–4 display remarkably enhanced spectral responses in the red portion of the solar spectrum. The newly designed dyes demonstrate desirable energetic and spectroscopic parameters, and may lead to efficient metal-free organic dye sensitizers for DSSCs.     

Kinetics and mechanism of trichloroisocyanuric acid/NaNO2-triggered nitration of aromatic compounds under acid-free and Vilsmeier-Haack conditions

Kinetics and mechanism of nitration of aromatic compounds using trichloroisocyanuric acid (TCCA)/NaNO₂, TCCA-N,N-dimethyl formamide (TCCA-DMF)/NaNO₂, and TCCA-N,N-dimethyl acetamide (TCCA-DMA)/NaNO₂ under acid-free and Vilsmeier-Haack conditions. Reactions followed second-order kinetics with a first-order dependence on [Phenol] and [Nitrating agent] ([TCCA], [(TCCA-DMF)], or [(TCCA-DMA)] >> [NaNO₂]). Reaction rates accelerated with the introduction of electron-donating groups and retarded with electron-withdrawing groups, but did not fit well into the Hammett's theory of linear free energy relationship or its modified forms like Brown-Okamoto or Yukawa-Tsuno equations. Rate data were analyzed by Charton's multiple linear regression analysis. Isokinetic temperature (β) values, obtained from Exner's theory for different protocols, are 403.7 K (TCCA-NaNO₂), 365.8 K (TCCA-DMF)/NaNO₂, and 358 K (TCCA-DMA)/NaNO₂. These values are far above the experimental temperature range (303-323 K), indicating that the enthalpy factors are probably more important in controlling the reaction.     

Delay of terminal current in systems with abruptly changed Hamiltonian

The current response for the parameter change of a mesoscopic system is a practical issue for future's circuit design. Nowadays most considered cases are various types of bias modulation, while the effect of change of conductor Hamiltonian is seldom addressed. In this paper, we investigate the response of ballistic transport induced by a sudden change of the conductor Hamiltonian. We formulize the terminal current in language of non-equilibrium Green's function. Our method is applied to one-dimensional tight-binding chains and we find that the terminal current has a delay to the Hamiltonian change. The amount of delay is not determined by the velocity of incident electrons in the bias window, but depends on the tight-binding hopping energy γ. The delay of current response at the detecting point away from where the Hamiltonian changes is $C{\gamma }^{?1}$, where C is a constant independent of the system.     

Homogenization of Periodically Heterogeneous Thin Beams

Consider an elastic thin three-dimensional body made of a periodic distribution of elastic inclusions. When both the thickness of the beam and the size of the heterogeneities tend simultaneously to zero the authors obtain three different one-dimensional models of beam depending upon the limit of the ratio of these two small parameters.     

Order-Stability in Complex Biological,Social, and AI-Systems from Quantum Information Theory

This paper is our attempt, on the basis of physical theory, to bring more clarification on the question “What is life?” formulated in the well-known book of Schrödinger in 1944. According to Schrödinger, the main distinguishing feature of a biosystem’s functioning is the ability to preserve its order structure or, in mathematical terms, to prevent increasing of entropy. However, Schrödinger’s analysis shows that the classical theory is not able to adequately describe the order-stability in a biosystem. Schrödinger also appealed to the ambiguous notion of negative entropy. We apply quantum theory. As is well-known, behaviour of the quantum von Neumann entropy crucially differs from behaviour of classical entropy. We consider a complex biosystem S composed of many subsystems, say proteins, cells, or neural networks in the brain, that is, S=(Si). We study the following problem: whether the compound system S can maintain “global order” in the situation of an increase of local disorder and if S can preserve the low entropy while other Si increase their entropies (may be essentially). We show that the entropy of a system as a whole can be constant, while the entropies of its parts rising. For classical systems, this is impossible, because the entropy of S cannot be less than the entropy of its subsystem Si. And if a subsystems’s entropy increases, then a system’s entropy should also increase, by at least the same amount. However, within the quantum information theory, the answer is positive. The significant role is played by the entanglement of a subsystems’ states. In the absence of entanglement, the increasing of local disorder implies an increasing disorder in the compound system S (as in the classical regime). In this note, we proceed within a quantum-like approach to mathematical modeling of information processing by biosystems—respecting the quantum laws need not be based on genuine quantum physical processes in biosystems. Recently, such modeling found numerous applications in molecular biology, genetics, evolution theory, cognition, psychology and decision making. The quantum-like model of order stability can be applied not only in biology, but also in social science and artificial intelligence.