边修饰GeS2纳米带的电子特性及调控效应

GeS₂单层已成功制备,为了进一步扩展其应用范围以及发现新的物理特性,我们构建扶手椅型GeS₂纳米带(AGeS₂NR)模型,并采用不同浓度的H或O原子进行边缘修饰,且对其结构稳定性、电子特性、载流子迁移率以及物理场调控效应进行深入研究.研究表明边修饰纳米带具有良好的能量与热稳定性.裸边纳米带是无磁半导体,而边修饰能改变AGeS₂NR的带隙,使其成为宽带隙或窄带隙半导体,或金属,这与边缘态消除或部分消除或产生杂化能带有关,所以边缘修饰调控扩展了纳米带在电子器件及光学器件领域的应用范围.此外,计算发现载流子迁移率对边缘修饰十分敏感,可以调节纳米带载流子迁移率(电子、空穴)的差异达到1个数量级,同时产生载流子极化达到1个数量级.研究还表明半导体性纳米带在较大的应变范围内具有保持电子相不变的鲁棒性,对于保持相关器件电子输运的稳定性是有益的.绝大部分半导体性纳米带在较高的外电场作用下,都具有保持半导体特性不变的稳定性,但带隙随电场增大而明显变小.总之,本研究为理解GeS₂纳米带特性并研发...     

基于压电阻抗技术的奥氏体不锈钢力学损伤定量监测

采用压电阻抗(Electro-mechanical impedance,EMI)技术对奥氏体不锈钢在拉伸过程中的力学损伤进行了定量监测实验研究.选择不同损伤状态下阻抗谱谐振峰频率偏移量△f及均方根偏差(Root-mean-square deviation,RMSD)值作为损伤识别指数,结果表明:在试样弹性变形阶段,△f和RMSD值很小,并且在加载过程中基本保持不变或小有波动;试样发生塑性变形以后,二者均明显增加,其中,△f值由0.05kHz随加载应力逐渐增加至1.65kHz时试样发生断裂,而RMSD由1.3％增大至17.6％后逐渐减小.文中对这种差别出现的原因及两参数各自的特点进行了讨论.显微分析结果证实材料弹塑性转变过程中两参数的变化与试样微观损伤具有很好的对应性,表明利用压电阻抗技术监测和评价核电管道用奥氏体不锈钢的力学损伤具有可行性.     

Magnetic properties of Co-doped SnO: first-principles calculations

Based on density functional theory calculations,the electronic and magnetic properties of Co-doped SnO are investigated.It is found that the spin-polarized state,with a magnetic moment of about 1.0 μ B per Co-dopant,is more favorable in energy than the non-spin-polarized state.Moreover,the origin of the ferromagnetism in Co-doped SnO is found to be the double exchange mechanism.Our results indicate that Co-doped SnO is a possible candidate of the p-type spintronics material.     

介孔碳纳米纤维制备与超电容性能研究

采用低分子量酚醛树脂/F127混合物填充多孔氧化铝模板孔道,制备了大尺寸介孔孔道、核-壳结构的介孔碳纳米纤维.分别以SEM、TEM及N2等温吸附-脱附观察分析样品形貌和孔结构参数.循环伏安与恒流充放电测定该介孔纳米纤维电极(阳极)的超电容性能.结果表明:介孔碳纳米纤维比电容明显增大,且在高扫速、大电流下具有良好的超电容特性.     

C@M12(M=Fe,Co,Ni)团簇稳定性与能量特征的密度泛函理论研究

在密度泛函理论框架下采用广义梯度近似和赝势平面波方法,研究了掺碳团簇C@M12（M=Fe,Co,Ni）的能量特性．所得结果表明：用碳原子替换一个金属原子将提高团簇的稳定性．碳原子在表面的结构比其在中心的结构更稳定,这与块体或大尺寸团簇情况相反．通过分析不同碳掺杂结构的能量分布,发现碳原子在这些过渡金属团簇中的熔解率大小的序列与其在块体中相同．     

低渗透油藏压裂水平井井筒与油藏耦合的非稳态模型

推导低渗透各向异性油藏压裂水平井井筒与盒式油藏耦合的非稳态模型,并给出求解方法.模型考虑摩阻和加速度的影响,并可以使用不同类型的约束条件.实例计算表明,压裂水平井的流动可分为非稳态阶段和拟稳态阶段.在非稳态阶段,各条裂缝的产量相差不大,总产量随着裂缝条数的增加呈线性增加;在拟稳态阶段,两端裂缝产量高于中部裂缝的产量.受摩阻和加速度压降的影响,空间上位置对称的裂缝在流量上呈现不对称性.井筒内压力损失的存在将使水平井的产量降低,并使井筒内的压力分布不均匀.在最小井底流压的基础上固定流量时,裂缝条数越多,稳产期也越长.     

Orientation-dependent electromagnetic properties of basalt fibre/nickel core--shell heterostructures

The influence of orientation on electromagnetic properties of basalt fibre/nickel core--shell heterostructures prepared by a simple electroless plating method is investigated. For comparison, the same investigation is also performed on naked basalt fibres. For electromagnetic measurement, the directions of basalt fibre/nickel and naked basalt fibres are parallel, random and perpendicular to the direction of external electric field, termed E_\vert\vert sample, random sample and E_⊥ sample, respectively. Electromagnetic anisotropy can be clearly observed in the basalt fibre/nickel core--shell heterostructures, while electromagnetic properties of naked basalt fibres are unrelated to the orientation. The E_⊥ basalt fibre/nickel shows the highest dielectric loss but the lowest magnetic loss, and E_|| basalt fibre/nickel exhibits the highest magnetic loss but the lowest dielectric loss. The dielectric loss of E_⊥ basalt fibre/nickel is several times as large as that of E_|| basalt fibre/nickel, which could be attributed to the increase of polarization relaxation time as a consequence of the nanosize-confinement effect. The magnetic loss of E_|| basalt fibre/nickel is even one order of magnitude higher than that of E_⊥ basalt fibre/nickel, which originates mainly from the natural magnetic resonance of basalt fibre/nickel core--shell heterostructures.     

Relations between chirp transform and Fresnel diffraction, Wigner distribution function and a fast algorithm for chirp transform

Two physical interpretations of chirp transform related to Fresnel diffraction and Wigner distribution function are given.The chirp transform can be regarded as a Fresnel diffraction observed on a spherical tangent to the diffraction plane,or a rotation and stretching transformation of the Wigner distribution function space.A general fast algorithm for the numerical calculation of chirp transform is developed by employing two fast Fourier transform algorithms.The algorithm,by which a good evaluation can be achieved,unifies the calculations of Fresnel diffraction,arbitrary fractionalorder Fourier transforms and other scalar diffraction systems.The algorithm is used to calculate the Fourier transform of a Gaussian function and the Fourier transform,the Fresnel transform,the Fractional-order Fourier transforms of a rectangle function to evaluate the performance of this algorithm.The calculated results are in good agreement with the analytical results,both in the amplitude and phase.     

基于紫外光谱检测的GIS内多类故障早期预警

气体绝缘开关(GIS)故障预警强调异常识别的实效性和现场适用性,是精确诊断的基础。研究GIS内局部放电(PD)及过热故障的统一预警方法具有重要意义。提出将SO₂作为GIS内部两类故障公共的特征分解物,并应用紫外光谱(UV)测量SO₂实现多故障早期预警。一阶导数法和Savitzky-Golay滤波被用于快速基线校正和光谱平滑,290～310 nm被选为特征区进行SO₂检测及定量。UV检测可避免诸如SF₆及SOF₂、SO₂F₂等分解物的干扰,便于从复杂的SF₆分解物组分中识别微量SO₂特征,测量系统结构简单、维护成本低、适于现场检测。通过模拟SF₆气体在两类PD缺陷及200～400 ℃过热条件下的分解实验,证实所提UV预警方法的有效性：两类GIS故障条件下都会稳定的生成SO₂。对UV预警后的故障诊断,借助傅里叶变换红外光谱仪及气相色谱仪,确认PD及过热故障下的分解物组分存在差异,并据此简要分析了故障类型辨识方法。PD分解物以SOF₂和SO₂F₂为主,SO₂含量远小于SOF₂,放电涉及环氧树脂时含碳分解物含量上升。过热材质为不锈钢时,SF₆约在300 ℃发生分解,300～400 ℃内的过热分解物主要为SO₂和SOF₂,350 ℃以上SO₂生成速率明显快于PD时。随着GIS内故障持续恶化,SO₂含量均呈现稳定上升趋势。在UV预警后,可利用获得的SO₂生成特性初步辨识故障类型。     

致密油藏微纳米喉道中的边界层特征

通过引入吸引力修正耗散粒子动力学（DPD）方法,实现流体和固体的相互吸引作用,模拟纳米喉道中的微尺度流动,探讨边界层的产生机理,结合微圆管实验,定量表征微纳米喉道中边界层的特征,明确微纳米喉道中边界层的影响因素.研究发现：分子尺度,热运动对速度影响很大;超过分子尺度,压差占主导作用.热运动使粒子在原位置振动,不改变粒子的整体移动方向.随着喉道半径的增大,泊肃叶流动的抛物线特征越来越明显.边界层厚度受压力梯度、喉道半径和流体粘度的影响.当压力梯度增大或流体粘度减小时,边界层厚度增大;当喉道半径减小时,边界层厚度先增大后减小.边界层厚度是导致非线性渗流特征的根本原因.随着边界层厚度增大,非线性渗流特征越来越明显.