一维相位缺陷量子行走的共振传输

从分立时间量子行走理论出发, 分别在包含两个格点相位缺陷和一段格点相位缺陷(方相位势)的一维格点线上研究量子行走的静态共振传输. 利用系统独特的色散关系和边界点上的能量守恒条件, 获得量子行走通过缺陷区域的透射率, 讨论了相位缺陷的强度和宽度不同时透射率随入射动量的变化行为. 在相位缺陷强度π/2两侧, 透射率表现出不同的共振特性, 并给出了强缺陷强度下共振峰和缺陷宽度的关系.     

紫外光辐照对TiO2纳米线电输运性能的影响及磁阻效应研究

采用溶胶凝胶法以及静电纺丝法, 利用热处理工艺, 成功制备出了多晶锐钛矿型TiO₂纳米线, 通过两线法在室温下测试单根TiO₂纳米线的V-I曲线来研究其电输运性能及磁阻效应. 结果表明: 在无光照环境下其V-I曲线为不过零点的直线, 零场电阻较大, 在磁场作用下电阻下降, 表现出负磁阻效应; 紫外光辐照环境下TiO₂纳米线载流子浓度增加使得电阻变小, 然而在磁场作用下电阻增大, 表现为正磁阻效应. 紫外光辐照导致的载流子浓度变化, 使得负磁阻转变为正磁阻, 我们将磁阻变化归结为d电子局域导致的负磁阻与能带劈裂导致的正磁阻两种机理相互竞争的结果.     

Coulomb screening effects on the optoelectronic far-infrared properties of spatially separated few-layer graphene

We investigate the longitudinal optical conductivity of spatially separated few-layer graphene analytically and numerically. Each layer could be monolayer or bilayer graphene. The density–density correlation function has been screened by the dielectric function using the random phase approximation, which includes the inter-layer Coulomb coupling. In the presence of the potential function between the layers, the carrier densities in each layer can be tuned respectively. In these two-dimensional layered structures, the main contributions to the optical conductivity are from the intra- and inter-band transition channels in a same layer. In the infrared region, the Drude optical conductivity was observed by the unscreened intra-band transition process. But in the presence of the inter-layer Coulomb interaction, one peak structure of the optical conductivity is observed which can be modified by the dielectric environment. From the number of turning points and the turning positions, the carrier density, the Fermi wavevector, and the layered structure can be determined.     

(111)取向生长Pb(Zr0:95Ti0:05)O3纳米晶薄膜的铁电与热释电特性

" 在Pt/Ti/SiO2/Si基片上用溶胶-凝胶法与快速退火工艺制备了300 nm厚的锆钛酸铅Pb(Zr0:95Ti0:05)O3 (PZT95/5)反铁电薄膜．结果显示600~700 ℃晶化处理的钙钛矿PZT95/5薄膜具有高度(111)取向生长特性．薄膜的电性能测量采用金属-铁电-金属电容器结构．在20 V电压作用下,600~700 ℃晶化处理的PZT95/5薄膜显示出饱和电滞回线．在1 kHz下,600、650和700 ℃晶化的薄膜介电常数与损耗分别为519与0.028、677与0.029、987     

Synergic Enhancement of High-density Polyethylene through Ultrahigh Molecular Weight Polyethylene and Multi-flow Vibration Injection Molding: A Facile Fabrication with Potential Industrial Prospects

General-purpose plastics with high strength and toughness have been in great demand for structural engineering applications. To achieve the reinforcement and broaden the application scope of high-density polyethylene(HDPE), multi-flow vibration injection molding(MFVIM) and ultrahigh molecular weight polyethylene(UHMWPE) are synergistically employed in this work. Herein, the MFVIM has better shear layer control ability and higher fabrication advantage for complex parts than other analogous novel injection molding technologies reported.The reinforcing effect of various filling times and UHMWPE contents as well as the corresponding microstructure evolution are investigated.When 5 wt% UHMWPE is added, MFVIM process with six flow times thickens the shear layer to the whole thickness. The tensile strength and modulus increase to 2.14 and 1.39 times, respectively, compared to neat HDPE on the premise of remaining 70% impact strength. Structural characterizations indicate that the enhancement is attributed to the improvement of shish-kebab content and lamellae compactness, as well as related to the corresponding size distributions of undissolved UHMWPE particles. This novel injection molding technology with great industrial prospects provides a facile and effective strategy to broaden the engineering applications of HDPE materials. Besides, excessive UHMWPE may impair the synergistic enhancement effect, which is also reasonably explained.     

冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响

用分子动力学模拟方法研究了五种不同冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响。采用两种不同的方法来确定玻璃转变温度Tg,并且对结晶温度Tc、径向分布函数g(r)、均方位移函数MSD与扩散系数D、平均配位数进行比较分析。结果表明：冷却速率影响Lennard-Jones体系凝固过程中的结构。当使用足够高的冷却速率冷却时,体系发生玻璃化转变,而且冷却速率越快,玻璃转变温度越高;当冷却速率较小时,体系形成晶体,而且冷却速率越慢,结晶温度越高,结晶程度也越高。同时发现,冷却速率对扩散系数和平均配位数也有很大影响,二者在体系发生玻璃转变时都有一个缓变的过程,表明了过冷液相区的存在。     

层厚度和应变率对铜-金复合纳米线力学性能影响的模拟研究

采用分子动力学模拟方法, 研究了层厚度和应变率对铜-金多层复合纳米线在均匀拉伸载荷下力学性能的影响, 并分析了铜-金位错成核机理. 研究结果表明, 随着铜-金层厚度的增加, 复合材料的屈服强度也随之增大; 高应变率时复合材料的力学性能比低应变率时要强, 低应变率的塑性形变主要是位错运动和孪晶形变, 而高应变率主要以单原子运动为主, 表现出了非晶化. 该研究对制备高性能的多层复合材料提供了一定的理论依据.     

高温高压下Zr2AlC的结构及热学性质的第一性原理

利用密度泛函理论研究了高温高压下Zr₂AlC的结构和热力学性质,计算得到Zr₂AlC的晶格参数与实验值符合较好．研究了Zr₂AlC的弹性常数、体模量、剪切模量和杨氏模量等力学性质随压力变化的趋势．同时研究了维氏硬度随压力的变化趋势．通过计算得到的杨氏模量预测了Zr₂AlC的弹性各向异性．最后,基于准简谐德拜模型,成功预测了Zr₂AlC的德拜温度、热容、热膨胀系数和Grüneisen参数随着压强和温度的变化关系.     

辐射接枝法制备膨化聚四氟乙烯杂化膜及其抗菌性表征

通过共辐射接枝的方法,将聚丙烯酸成功接枝到膨化聚四氟乙烯薄膜上. 采用NaBH₄还原吸附在接枝链上的银离子,在膜中原位负载银纳米粒子,制备了抗菌性ePTFE杂化膜. 杂化膜的SEM、XPS、XRD和TGA表征结果表明,负载的银纳米粒子粒径为几十纳米至100 nm. 而银纳米粒子的负载量可由聚丙烯酸的接枝率控制. 细菌平板计数法测试结果证明,所制备的杂化膜具有优异的抗菌性,对大肠杆菌的抗菌率高达100%.