国产六面顶压机多晶种法合成宝石级金刚石单晶

对国产六面顶压机平台下使用多晶种法合成宝石级金刚石单晶进行了系统的研究. 通过合理调整温度梯度法的合成腔体组装, 采用多晶种法, 探索多晶种法金刚石合成的压力和温度区间, 在单个合成腔体内放置3–5颗金刚石晶种, 成功合成出多颗(3–5)优质Ib型宝石级金刚石单晶. 多颗晶种的引入, 单次实验合成的多个金刚石晶体晶形及品质一致; 同时, 晶体的整体生长速度也有明显的增大. 多晶种法金刚石单晶合成的研究, 可以有效地利用腔体空间、提高单次金刚石单晶合成的效率, 解决压机大型化下高温高压资源利用率低的问题; 同时, 为宝石级金刚石单晶商业化生产提供重要的依据. 关键词： 金刚石 国产六面顶 多晶种 温度梯度法     

基于光声光谱技术的NO,NO2气体分析仪研究

NO, NO₂是大气污染源中的常见气体, 对环境具有严重的危害性. 为检测污染源中这两种气体的浓度, 构建了成本较低的基于红外热辐射光源的光声光谱气体检测系统. 分析计算得到了NO, NO₂ 在2500–6667 nm波段吸收谱线. 通过建立光声传输线RLC振荡电路模型和仿真得到品质因数、声压大小与谐振腔长、内腔半径以及调制频率的关系, 据此设计了光声池几何结构. 实验表明该系统所测得的光声信号与气体浓度有很好的线性关系, 并且对NO, NO₂气体极限检测灵敏度分别达到4.01 和1.07 μL. 通过调节激光发射波长和选取滤波片, 该系统还可用于其他微量气体的浓度检测. 关键词： 大气污染 光声光谱 气体检测     

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     

黄土高原中部秋季干湿的年际和年代际环流异常特征及与海温的多尺度相关性研究

黄土高原地区作为气候敏感区和生态脆弱区地表干 湿状况的年际和年代际变化特征十分明显. 但以往主要是针对夏季进行分析, 而对黄土高原秋季干湿变化规律及大气环流机理的认识非常有限. 本文基于中国589站最近50 a (1961–2010年)月降水和气温月平均资料、NCEP/NCAR提供的再分析资料以及NOAA提供的海表温度(Sea Surface Temperature, SST) 资料, 运用带通/低通滤波、小波分析、EOF/REOF和回归分析等方法, 在对中国秋季干湿时空演化分类的基础上, 通过研究秋季黄土高原中部干湿演变周期、大气环流特征及与海温的多尺度相关关系, 以揭示影响黄土高原中部秋季干湿变化的物理机理, 并确定影响该区域干湿状况的前兆信号. 小波功率谱分析表明, 黄土高原中部秋季干湿指数存在准4 a和准8 a的周期, 1970–1990年准8 a尺度周期振荡尤为明显. 年际(周期≤ 8 a) 尺度上偏湿年的大气环流特征是, 欧亚大陆中高纬呈“双阻型”, 200 hPa西风急流显著北移, 日本海-鄂霍茨克海受反气旋控制, 其底部的偏东水汽输送带将水汽输入研究区. 年代际(周期 > 8 a)尺度上偏湿年的大气环流特征是, 东亚大陆为一致的低值系统; 200 hPa东亚副热带西风急流减弱北移, 研究区主要水汽来源由经孟加拉湾在中南半岛转向的南风水汽输送及中纬度的西风水汽输送组成. 整个序列上, Nino3区SST指数(Nino3I)超前5个月与秋季干湿指数已呈显著的负相关关系, 而孟加拉湾–中国南海SST指数(BayI)则超前3个月与干湿指数呈现显著的负相关关系. 年际尺度上, 秋季Nino3I, BayI均与秋季干湿指数存在显著相关(准4 a, 4–6 a), 而年代际尺度上, 只有BayI与秋季干湿指数存在显著相关性(准10 a). 黄土高原中部秋季干湿的年际和年代际周期的确定、大气环流异常特征的认识及与海温的多尺度相关关系的建立, 不仅揭示了影响该区域干湿变化的物理机理, 也为干旱气候预测提供了重要的前兆信号. 关键词： 黄土高原中部 干湿特征 海表温度 小波分析     

异质多晶SiGe栅应变Si NMOSFET物理模型研究

结合了“栅极工程”和“应变工程”二者的优点, 异质多晶SiGe栅应变Si MOSFET, 通过沿沟道方向使用不同功函数的多晶SiGe材料, 在应变的基础上进一步提高了MOSFET的性能. 本文结合其结构模型, 以应变Si NMOSFET为例, 建立了强反型时的准二维表面势模型, 并进一步获得了其阈值电压模型以及沟道电流的物理模型. 应用MATLAB对该器件模型进行了分析, 讨论了异质多晶SiGe栅功函数及栅长度、衬底SiGe中Ge组分等参数对器件阈值电压、沟道电流的影响, 获得了最优化的异质栅结构. 模型所得结果与仿真结果及相关文献给出的结论一致, 证明了该模型的正确性. 该研究为异质多晶SiGe栅应变Si MOSFET的设计制造提供了有价值的参考. 关键词： 异质多晶SiGe栅 应变Si NMOSFET 表面势 沟道电流     

Influence of cooperativity on the frequency shift of the Ar–H stretch vibration in HArF complexes

CH₃Li–FArH–X (X?=?H₂, OC, N₂, P₂, CO₂, CO, BeH₂) trimers have been investigated using quantum chemical calculations at the QCISD/6-311++G(2d,2p) level. The results show that the lithium bonding has a prominent effect on the strength and properties of the hydrogen bonding. The hydrogen-bonding interaction energy is increased by 160–340% due to the presence of lithium bonding. The Ar–H stretch vibration shows a blue shift in the FArH–X (X?=?H₂, OC, N₂, CO₂, CO) dimer, but a red shift in the FArH–X (X?=?P₂, BeH₂) dimer. The red shift is increased in the corresponding trimer, while the blue shift shows a different change. The blue shift is also increased in CH₃Li–FArH–X (X?=?H₂, OC, N₂, CO₂) trimers, but it changes to a red shift in the CH₃Li–FArH–CO trimer. The shift change is consistent with the explanation given by Joseph and Jemmis.     

High-resolution,near-infrared CW-CRDS,and ab initio investigations of N2O–HDO

We have investigated the N₂O–HDO molecular complex using ab initio calculations at the CCSD(T)-F12a/aug-cc-pVTZ level of theory and using cavity ring-down spectroscopy to probe an HDO/N₂O/Ar supersonic jet around 1.58 μm. A single a-type vibrational band was observed, 13 cm^?1 redshifted compared to the OH+OD excited band in HDO, and 173 vibration-rotation lines were assigned (T_rot ≈ 20 K). A weighted fit of existing microwave and present near infrared (NIR) data was achieved using a standard Watson's Hamiltonian (σ = 1.26), producing ground and excited states rotational constants. The comparison of the former with those calculated ab initio suggests a planar geometry in which the OD rather than the OH bond in water is almost parallel to NNO. The equilibrium geometry and dissociation energy (D_e = –11.7 kJ/mol) of the water–nitrous oxide complex were calculated. The calculations further demonstrate and allow characterising another minimum, 404 cm^?1 (ΔE₀) higher in energy. Harmonic vibrational frequencies and dissociation energies, D₀, were calculated for various conformers and isotopic forms of the complex, in both minima. The absence of N₂O–D₂O from dedicated NIR experiments is reported and discussed.     

Theory studies of the local lattice distortions and the EPR parameters for Cu2+, Mn2+ and Fe3+ centres in ZnWO4

The local lattice distortions and the electron paramagnetic resonance (EPR) parameters (g factors, hyperfine structure constants and zero-field splittings) for Cu²⁺, Mn²⁺ and Fe³⁺ in ZnWO₄ are theoretically studied based on the perturbation calculations for rhombically elongated octahedral 3d⁹ and 3d⁵ complexes. The impurity centres on Zn²⁺ sites undergo the local elongations of 0.01, 0.002 and 0.013 Å along the C₂ axis and the planar bond angle variations of 8.1°, 8.0° and 8.6° for Cu²⁺, Mn²⁺ and Fe³⁺, respectively, due to the Jahn–Teller effect and size and charge mismatch. In contrast to the host Zn²⁺ site with obvious axial elongation (～0.31 Å) and perpendicular (angular) rhombic distortion, all the impurity centres demonstrate more regular octahedral due to the above local lattice distortions. The copper centre exhibits significant Jahn–Teller reductions for the spin-orbit coupling and orbital angular momentum interactions, characterised by the Jahn–Teller reduction factor J (≈0.29 ? 1). The calculated EPR parameters agree well with the experimental results. The local structures of the impurity centres are analysed in view of the corresponding lattice distortions.     

Simulation of pedestrian counter flow through bottlenecks by using an agent-based model

Considerable research has been conducted on the topic of unidirectional evacuations from exits. However, few studies aim at simulating counter flow through a bottleneck with complex conflict. This paper proposes an agent-based model to investigate bidirectional flow evacuation. Pedestrian speed is determined by the speed of the leading agent and the surrounding agents. The moving direction of pedestrian originates from four forces, namely, gradient force, repulsive force, resistance force, and random force. These four forces dominate the main stream of the pedestrian moving trajectory, the interaction between pedestrians and their local environment, the resistance or disinclination to movement, and the random variations and chaotic nature of pedestrian dynamics. The novelty of this research is in the agent-based model that combines the agent and forces while providing insights for the simulation of the pedestrian dynamic on the cognitive level. The experiment results show that the behavior that arises from this model is consistent with the observations from Guangzhou Metro and that this model could help capture the essence of pedestrian behavior near egresses.