Structural and vibrational properties of deformedcarbon nanotubes

The fantastic variation of the physical properties of carbon nanotubes (CNTs) and their bundles under mechanical strain and hydrostatic pressure makes them promising materials for fabricating nanoscale electromechanical coupling devices or transducers. In this paper, we review the recent progress in this field, with much emphasis on our first-principles numerical studies on the structural and vibrational properties of the deformed CNTs under uniaxial and torsional strains, and hydrostatic pressure. The nonresonant Raman spectra of the deformed CNTs are also introduced, which are calculated by the first-principles calculations and the empirical bond polarizability model.     

La3+和Ce4+对尾矿微晶玻璃显微结构及性能的影响

选用白云鄂博尾矿及粉煤灰为主要原料,采用熔融法制备得到了CaO-Al2 O3-MgO-SiO2(CAMS)系尾矿微晶玻璃.借助差热分析、X射线衍射以及扫描电子显微镜、维氏硬度仪等研究了La2 O3和CeO2对尾矿微晶玻璃析晶行为、显微结构及性能的影响.结果表明,添加La2 O3和CeO2后尾矿微晶玻璃的主晶相均未发生改变,但稀土的添加会诱导微晶玻璃内产生元素集聚体.聚集体内Si元素分布均匀,稀土元素以及Al、Na聚集,元素Ca和Fe缺失.聚集体的形成致密化玻璃网络结构,从而增加裂纹扩展阻力,消耗裂纹扩展过程中的能量,抑制裂纹的扩展并最终提高材料的维氏硬度.     

苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附作用的研究

生物吸附法以其材料易得、吸附效果好、易解析、环境友好等优点而被广泛的应用于水溶液中低浓度重金属离子的吸附去除。光谱学显示苦荞茶含有多种基团且表面结构疏松，对水溶液中金属离子具有一定吸附潜力。探讨苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附作用光谱分析。采用扫描电镜(SEM)、能谱分析(EDS)、傅里叶红外光谱(FTIR)对苦荞茶吸附铅、铜、镉、锌、铬前后进行表征，初步解析苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附作用。使用等温吸附方程(Langmuir，Freundlich，Temkin和Dubinin-Radushkevich) 与动力学方程(准一级、准二级和颗粒内扩散)来评价苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附方式及行为。响应面法是一种数学建模的优化方法，能回归拟合各因素与实验结果之间的函数关系，从而确定实验因素及其交互作用对目标值的影响程度。采用响应面法考察目标离子初始浓度(A)、吸附剂颗粒大小(B)、吸附剂投加量(C)和吸附时间(D)四个因素对苦荞茶吸附水溶液中铅、铜、镉、锌、铬离子能力的影响作用及程度。等温吸附方程显示，苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附方式以多层吸附方式为主，伴有其他吸附类型，苦荞茶对目标重金属吸附量排序为：铅＞镉＞铜＞锌＞铬，即为：30.67＞16.18＞13.85＞10.81＞8.43 mg·g-1。动力学方程与苦荞茶扫描电镜(SEM)提示，苦荞茶对水溶液中铅、铜、镉、锌、铬离子吸附过程符合准二级动力学，其吸附速率由液膜扩散和颗粒内扩散作用共同控制，而且苦荞茶表面疏松的结构出现表面趋于平滑，孔洞出现融合的现象。能谱分析(EDS)与傅里叶红外光谱(FTIR)证实了水溶液中铅、铜、镉、锌、铬离子被苦荞茶所吸附，苦荞茶中-OH，-CH₂，-CH₃，CO， -NH，-C-O，CH基团参与水溶液中铅、铜、镉、锌、镉离子结合吸附作用并存在同一类型的基团吸附结合不同目标离子的现象。响应面法构建考察因素影响苦荞茶对水溶液中铅、铜、镉、锌、铬离子去除能力模型，其调整回归决定系数分别为Adj R2_Pb=97.10，Adj R2_Cu=98.44，Adj R2_Cd=94.55，Adj R2_Zn=92.71，Adj R2_Cr=97.02，说明非线性模型可用来评价考察因素对苦荞茶吸附水溶液中铅、铜、镉、锌、铬离子影响作用。响应面法分析表明，考察因素[离子初始浓度(A)、吸附剂颗粒大小(B)、吸附剂投加量(C)和吸附时间(D)]对铅、铜、镉、锌、铬离子去除率影响作用大小排序为：铅离子(A＞D＞B＞C)、铜离子(A＞C＞D＞B)、镉离子(A＞B＞C＞D)、锌离子(B＞C＞A＞D)、铬离子(C＞B＞D＞A)。研究结果说明，苦荞茶对水溶液中铅、铜、镉、锌、铬离子具有良好的吸附作用，为苦荞茶拓展新的应用途径提供了参考依据。     

Pt掺杂Ni/NiAlOx催化菲加氢饱和反应性能研究

本研究选取菲为模型化合物,以强化芳烃吸附为目标,采用等体积浸渍法制备了系列Pt-Ni/NiAlO_x催化剂,系统考察了Pt掺杂量对催化剂结构和菲加氢饱和性能的影响。结果表明,当反应温度300℃、氢气压力5 MPa、重时空速52 h^-1时,相比Ni/NiAlO_x催化剂,掺杂0.5%Pt的0.5Pt-Ni/NiAlO_x催化剂上全氢菲选择性在反应8 h后由40%提升至67%,且表观反应速率和转化频率分别由1.53×10^-3 mol·kg^-1·s^-1和14.64×10^-3s^-1提升至1.81×10^-3mol·kg^-1·s^-1和22.16×10^-3s^-1。这主要归因于金属Pt适宜的掺杂量提高了金属Ni缺电子结构的稳定性,促进芳烃吸附,提升了菲加氢饱和性能。     

非对称条形纳磁体的铁磁共振频率和自旋波模式

通过建立微波激励下的非对称条形多铁纳磁体的微磁模型,研究了倾斜角和缺陷角对该形纳磁体的铁磁共振谱和自旋波模式的影响.通过对微磁仿真得到的动态磁化数据进行分析发现,非对称条形纳磁体倾斜角度增加,铁磁共振频率随之增加,而这一现象与纳磁体的缺陷角度无关.倾斜角不变,非对称条形纳磁体的铁磁共振频率与缺陷角度呈单调递增关系,并且不同缺陷角度纳磁体的自旋波模式显示出极大的差异.非对称条形纳磁体与矩形纳磁体相比,它的自旋波模式局部化,具体为非对称条形纳磁体的自旋波模式不对称且高进动区域存在于边缘,表现为非对称边缘模式.倾斜角改变导致纳磁体内部退磁场变化,引起纳磁体边缘模式的移动,而中心模式对倾斜角的变化并不敏感.最后,对建立的模型在高频微波磁场激励下的磁损耗进行了分析,验证了模型的可靠性.这些结论说明缺陷角和倾斜角可用于纳磁体自旋波模式和铁磁共振频率的调谐,所得结果为可调纳磁微波器件的设计提供了重要的理论依据和思路.     

Accurate prediction of the critical heat flux for pool boiling on the heater substrate

While the influence of liquid qualities, surface morphology, and operating circumstances on critical heat flux (CHF) in pool boiling has been extensively studied, the effect of the heater substrate has not. Based on the force balance analysis, a theoretical model has been developed to accurately predict the CHF in pool boiling on a heater substrate. An analytical expression for the CHF of a heater substrate is obtained in terms of the surface thermophysical property. It is indicated that the ratio of thermal conductivity (k) to the product of density (ρ) and specific heat (c_p) is an essential substrate property that influences the CHF. By modifying the well-known force-balance-based CHF model (Kandlikar model), the thermal characteristics of the substrate are taken into consideration. The bias of predicted CHF values are within 5% compared with the experimental results.     

Reverse blocking enhancement of drain field plate in Schottky-drain AlGaN/GaN high-electron mobility transistors

In this paper, we present the combination of drain field plate(FP) and Schottky drain to improve the reverse blocking capability, and investigate the reverse blocking enhancement of drain FP in Schottky-drain AlGaN/GaN high-electron mobility transistors(HEMTs). Drain FP and gate FP were employed in a two-dimensional simulation to improve the reverse blocking voltage(VRB) and the forward blocking voltage(VFB). The drain-FP length, the gate-FP length and the passivation layer thickness were optimized. VRBand VFBwere improved from-67 V and 134 V to-653 V and 868 V respectively after optimization. Simulation results suggest that the combination of drain FP and Schottky drain can enhance the reverse blocking capability significantly.     

Influence of substrate bias voltage on the microstructure of nc-SiOx:H film

Amorphous silicon oxide containing nanocrystalline silicon grain(nc-SiO_x:H) films are prepared by a plasmaenhanced chemical vapor deposition technique at different negative substrate bias voltages.The influence of the bias voltage applied to the substrate on the microstructure is investigated.The analysis of x-ray diffraction spectra evidences the in situ growth of nanocrystalline Si.The grain size can be well controlled by varying the substrate bias voltage,and the largest size is obtained at 60 V.Fourier transform infrared spectra studies on the microstructure evolutions of the nc-SiO_x:H films suggest that the absorption peak intensities,which are related to the defect densities,can be well controlled.It can be attributed to the fact that the negative bias voltage provides a useful way to change the energies of the particles in the deposition process,which can provide sufficient driving force for the diffusion and movement for the species on the growing surface and effectively passivate the dangling bonds.Also the larger grain size and lower band gap,which will result in better photosensitivity,can also be obtained with a moderate substrate bias voltage of 60 V.     

欠叠异质栅纳米碳管场效应管的量子输运特性（英文）

采用量子力学模型,对欠叠栅对传统单质栅碳纳米管场效应管(简称C-CNTFET)和异质栅碳纳米管场效应管(简称HMG-CNTFET)电学特性的影响进行理论研究,该模型基于二维非平衡格林函数(NEGF)泊松方程自洽求解.仿真结果表明,C-CNTFET的截止频率可高达THz量级,另外,通过比较C-和HMG-CNTFET可以看出,CCNTFET增加欠叠栅后能够提高器件的开关速度,但不利于提高器件的开关电流比.在HMG-CNTFET中,欠叠栅的采用不仅能够同时改善亚阈值特性和开关电流比,还能降低输出电导.