熔体初始温度对液态金属Ni凝固过程中微观结构演变影响的模拟研究

采用量子 Sutton-Chen多体势, 对熔体初始温度热历史条件对液态金属Ni快速凝固过程中微观结构演变的影响进行了分子动力学模拟研究. 采用双体分布函数g(r)曲线、键型指数法、原子团类型指数法和三维可视化等分析方法对凝固过程中微观结构的演变进行了分析. 结果表明: 熔体初始温度对凝固微结构有显著影响, 但在液态和过冷态时的影响并不明显, 只有在结晶转变温度T_c附近才开始充分显现出来. 体系在1×10¹² K/s的冷速下, 最终均形成以1421和1422键型或面心立方(12 0 0 0 12 0)与六角密集(12 0 0 0 6 6) 基本原子团为主的晶态结构. 末态时, 不同初始温度体系中的主要键型和团簇的数目有很大的变化范围, 且与熔体初始温度的高低呈非线性变化关系. 然而, 体系能量随初始温度呈线性变化关系, 初始温度越高, 末态能量越低, 其晶化程度越高. 通过三维可视化分析进一步发现, 在初始温度较高的体系中, 同类团簇结构的原子出现明显的分层聚集现象, 随着初始温度的下降, 这种分层现象将被弥散开去. 可视化分析将更有助于对凝固过程中微观结构演变进行更为深入的研究. 关键词： 液态金属Ni 熔体初始温度 微观结构 分子动力学模拟     

离散式任意充磁角度Halbach永磁电机解析模型研究

Halbach电机因其自身优势在新型船舶推进、海洋洋流发电等方面受到广泛关注. 本文在假设铁磁材料线性和定子内表面光滑的条件下, 通过将任意充磁角度Halbach阵列等效为两组90° Halbach(或180° Halbach)阵列的矢量合成, 提出了一种分析离散式任意充磁角度Halbach永磁电机气隙磁场的解析方法; 通过对电机中磁标量势的傅里叶级数进行计算, 推导出了最简单的90° Halbach永磁电机在极坐标系下的气隙磁密表达式, 并在此基础上, 给出了任意充磁角度Halbach电机永磁体磁化强度在一个极下的表达式, 进而得出任意充磁角度Halbach电机气隙磁密的分布, 并分析了气隙磁密与电机极对数、永磁体厚度和充磁角度间的关系. 最后通过有限元和试验结果验证了本文方法的正确性. 关键词： 离散式Halbach电机 任意充磁角度 矢量等效 解析模型     

甘氨酸色氨酸寡肽链的红外光谱的密度泛函研究

运用密度泛函理论, 在6-31 G(d) 基组水平上对甘氨酸色氨酸交替组成的六种寡肽链结构进行几何优化, 并进行了结合能和振动光谱地分析. 结果表明, 寡肽的生长利于结构的稳定性. 随着肽链的生长, 单一基团的振动存在蓝移或奇偶震荡现象; 同类官能团的耦合振动存在红移现象; 而肽链端部基团的振动频率基本不变. 这些丰富的频移现象和尺寸效应、耦合效应、诱导效应、奇偶效应等因素共同竞争有关. 该结果对应用红外光谱对寡肽链的残基数及长度地测量等工作有指导意义. 关键词： 寡肽链 红外光谱 耦合效应 尺寸效应     

磁控溅射制备W掺杂VO2/FTO复合薄膜及其性能分析

为了获得相变温度低且热致变色性能优越的光学材料, 室温下在F:SnO₂ (FTO)导电玻璃基板表面沉积钨钒金属膜, 再经空气气氛下的热氧化处理, 制备了W掺杂VO₂/FTO复合薄膜, 利用X射线光电子能谱、X射线衍射和扫描电镜对薄膜的结构和表面形貌进行了分析. 结果表明: 高温热氧化处理过程中没有生成W, F, V混合氧化物, W以替换V原子的方式掺杂. 与采用相同工艺和条件制备的纯VO₂/FTO复合薄膜相比, W掺杂VO₂薄膜没有改变晶面取向, 仍具有(110)晶面择优取向, 相变温度下降到35 ℃左右, 热滞回线收窄到4 ℃, 高低温下的近红外光透过率变化量提高到28%. 薄膜的结晶程度明显提高, 表面变得平滑致密, 具有很好的一致性, 对光电薄膜器件的设计开发和工业化生产具有重要意义. 关键词： W掺杂 2')" href="#">VO₂ FTO导电玻璃 磁控溅射     

单载流子传输的双异质结光敏晶体管探测器的研究

基于器件仿真器Atlas, 建立了InP/InGaAsP单向载流子传输的双异质结光敏晶体管(UTC-DHPT)的二维模型, 分析讨论了器件性能与外延结构参数的关系. 设计出同时具有高响应度(≥17.93 A/W)和高特征频率(≥121.68 GHz)的UTC-DHPT, 缓解了传统的异质结光敏晶体管光电探测器中探测效率和工作速度的矛盾. 关键词： 单向载流子 光敏晶体管 电流放大倍数 响应度     

Opinion dynamics in networks with heterogeneous confidence and influence

We propose a discrete-time model of opinion dynamics. The neighborhood relationship is decided by confidence radius and influence radius of each agent. We investigate the influence of heterogeneity in confidence/influence distribution on the behavior of the network. The simulations suggest that the heterogeneity of single confidence or influence networks can promote the opinions to achieve consensus. It is shown that the heterogeneous influence radius systems converge in fewer time steps and more often in finite time than the heterogeneous confidence radius systems. We find that heterogeneity does not always promote consensus, and there is an optimal heterogeneity so that the relative size of the largest consensus cluster reaches maximum in heterogeneous confidence and influence networks.     

An order-by-disorder process in the cyclic phase of spin-2 condensate with a weak magnetic field

We present in this paper a model study on the “order-by-disorder” process in the cyclic phase of spin-2 condensate, which forms a family of incommensurable, spiral degenerate ground states. On the basis of the ordering mechanism of entropic splitting, it is demonstrated that the energy corrections resulting from quantum fluctuations of disorder lift the accidental degeneracy of the cyclic configurations and thus lead to an eventual spiral order called the cyclic order. The order-by-disorder phenomenon is then realized even if the magnetic field exists. Finally, we show that our theoretic observations can be verified experimentally by direct detection of the cyclic order in the ⁸⁷Rb condensate of a spin-2 manifold with a weak magnetic field.     

TiO2 Nanotube Array/Monolayer Graphene Film Schottky Junction Ultraviolet Light Photodetectors

Schottky junctions made from a titanium dioxide nanotube (TiO₂NT) array in contact with a monolayer graphene (MLG) film are fabricated and utilized for UV light detection. The TiO₂NT array is synthesized by the anodization and the MLG through a simple chemical vapor deposition process. Photoconductive analysis shows that the fabricated Schottky junction photodetector (PD) is sensitive to UV light illumination with good stability and reproducibility. The corresponding responsivity (R), photoconductive gain (G), and detectivity (D*) are calculated to be 15 A W^?1, 51, and 1.5 × 10¹² cm Hz^1/2 W^?1, respectively. It is observed that the fabricated PD exhibits spectral sensitivity and a simple power‐law dependence on light intensity. Moreover, the height of the Schottky junction diode is derived to be 0.59 V by using a low temperature I–V measurement. Finally, the working mechanism of the TiO₂NT array/MLG film Schottky junction PD is elucidated.     

Interaction between isoamyl adenine and rice cytokinin oxidase

Cytokinin (CTK) dehydrogenase is responsible for regulating the endogenous CTK content by oxidative removal of the side chain. Herein, we have applied fluorescence method to study the interaction between CTK dehydrogenase and CTK in vitro and obtain some parameters of their interaction. We found that addition of isopentenyl adenine can quench the fluorescence of CTK dehydrogenase, and the quenching mechanism was to be a static quenching procedure. We have measured the number of binding sites n and the apparent binding constant K and have calculated the thermodynamics parameter ΔH, ΔG, and ΔS by fluorescence quenching method. Based on thermodynamics parameter’s results, we concluded that their binding reaction was both entropy driven and the enthalpy driven, and the Van der Waals force and hydrogen bond force played a major role in the interaction. Based on the synchronous fluorescence spectrometry results, we demonstrated that the binding site between isopentenyl adenine and CTK dehydrogenase is in the microenvironment of both tryptophan and tyrosine. The fluorescence signal of coenzyme, flavin adenine dinucleotide, decreases gradually with the addition of isopentenyl adenine. And this method can be used for isopentenyl adenine routine assay. Under optimized experimental parameters, the linear segment increases from 0.6 µM to 100 µM with a regression equation of ΔF = 0.04 + 0.15c_ip (r = 0.999, c_ip in µM) with the detection limit of 0.15 µM iP.     

Ftir Studies on LB Film of Amphiphile with Schiff Base as Headgroup and Its Copper Complex

Two different ways to form monolayers and LB films (surface film and subphase film) of the complex have been used, where a novel amphiphile containing Schiff base as a headgroup was used as a ligand. the monolayer behavior at the air/water interface was characterized by π-A isotherms and two-dimensional molecular orientation of alkyl chains in LB films and thermal stability were measured by polarized and variable temperature FTIR transmission spectra, indicating that the LB film of the novel amphiphile and its copper(II) complex are very stable as well as stearic acid. Because incorporating the metal ion into the monolayer makes it more condensed, thermal stability of the LB film was enhanced. as can be compared from their structure and properties, subphase films are superior to surface films.