CoSb_3纳米热电材料的制备及热传输特性

以Sb ,Co为起始原料 ,采用固相反应法合成了CoSb3.通过高能球磨制得CoSb3纳米粉末 ,用放电等离子烧结(SPS)方法制备出最小平均晶粒尺寸为 1 5 0nm的块体材料 .研究了晶粒尺寸与热传输性能之间的关系 :CoSb3化合物结构纳米化对其晶格热导率κL 有显著影响 ,当晶粒尺寸由微米尺度减小到纳米尺度 ,晶格热导率κL 显著降低 ,但对载流子热导率κc 的影响不甚显著 .CoSb3化合物的热导率κ随晶粒尺寸的减小而降低主要是由于晶格热导率κL 随晶粒尺寸的减小而降低所致     

Grain Growth Kinetics of BaTiO3 Nanocrystals During Calcining Process

以醋酸钡和钛酸四丁酯为原料,采用溶胶-凝胶法合成了纳米BaTiO3粉体;运用差示/热重、X射线衍射及透射电镜对前驱体凝胶和产物进行了表征,并根据XRD结果,研究了纳米BaTiO3的晶格常数、晶格畸变度和晶粒尺寸随焙烧温度及时间的变化。结果表明,焙烧温度与时间对纳米BaTiO3晶格常数的影响不明显;随焙烧温度或时间的延长,纳米BaTiO3的晶格畸变度减小,晶粒尺寸增大,但晶格畸变度和晶粒尺寸更敏感于焙烧温度. 基于扩散控制机理的传统模型探讨了焙烧过程纳米BaTiO3晶粒生长动力学,得出其晶粒生长指数为7,晶粒生长活化能为75.49 kJ/mol. 将基于扩散与反应共同控制机理的新型等温模型应用于本研究中,结果表明,新型等温模型更能真实地反映纳米BaTiO3焙烧过程中的晶粒生长行为,说明纳米BaTiO3晶粒生长过程同时受溶质扩散和表面反应控制,其藕合晶粒生长活化能为27.23 kJ/mol.     

CoSb3纳米热电材料的制备及热传输特性

以Sb，Co为起始原料，采用固相反应法合成了CoSb3.通过高能球磨制得CoSb3纳米粉末，用放电等离子烧结(SPS)方法制备出最小平均晶粒尺寸为150nm的块体材料.研究了晶粒尺寸与热传输性能之间的关系：CoSb3化合物结构纳米化对其晶格热导率κL有显著影响，当晶粒尺寸由微米尺度减小到纳米尺度，晶格热导率κL显著降低，但对载流子热导率κc的影响不甚显著.CoSb3化合物的热导率κ随晶粒尺寸的减小而降 低主要是由于晶格热导率κL随晶粒尺寸的减小而降低所致. 关键词： 纳米 Skutterudite 制备 热传输特性     

30CrMnSiNi2A晶格参量的测量及回复规律研究

针对X射线衍射领域中晶面衍射峰重叠问题,提出一种新的重叠峰分离方法.采用RU-200V转靶衍射仪对30CrMnSiNi2A晶格参量及其回复规律进行研究,得出不同回火温度下晶格参量与碳含量的变化关系.研究结果发现:由于碳的过饱和度不同以及合金元素的影响,30CrMnSiNi2A与高碳马氏体晶格参量的变化规律虽基本符合,但其变化速率存在差异.在不同回火温度下晶格参量a基本与碳含量无关,随着回火温度升高,a值略有下降.晶格参量c则随碳含量的变化幅度较大,从淬火态到180℃回火态出现一个陡降过程,随着回火温度升高,其变化幅度又趋于平缓.     

哈密顿的维度相关性与声子态密度的卷积律

根据一、二、三维体系晶格振动哈密顿量之间相互关系,给出了不同维度声子态密度之间的卷积规律,分析了态密度的卷积条件及卷积所得态密度所对应的物理图象,阐述了态密度卷积方法在求解晶格振动态密度时的可行性及局限性.最后,给出并讨论了本方法获得的几种不同体系的晶格振动态密度结果.     

退火温度对ZrO2纳米材料中Eu3+离子发光的影响

研究了退火温度对ZrO₂纳米材料中Eu³⁺离子发光性质的影响. 材料的结构、晶粒尺寸和形状以及晶格的排列分别由XRD，TEM表征. 结果表明：用共沉淀法制备的ZrO₂纳米材料具有不随退火温度变化、稳定的四方结构；材料的晶粒尺寸随退火温度的提高而增大；晶格的排列由无序逐渐变为有序；发射光谱表明其主要发射在595 nm和604 nm处；在394 nm的紫外光辐照下得到了不同样品的604 nm荧光发射强度的变化不同. 这种现象与样品中O^2-离子含量和样品表面的表面缺陷有关；另外，电荷迁移带随退火温度的变化而变化.     

超晶格SnO2掺Cr的电子结构和光学性质的研究

基于密度泛函理论的第一性原理,采用全势线性缀加平面波方法(FPLAPW)和广义梯度近似(GGA)来处理相关能,计算了Cr掺杂SnO₂超晶格的电子态密度、能带结构、介电函数、吸收系数、反射率和折射率.研究表明由于Cr的掺入,超晶格SnO₂在费米能级附近形成了新的电子占据态,出现了不连续的杂质能带,这是由Cr-3d态和O-2p,Sn-5s态电子所形成.介电谱在0—5.5 eV之间时出现了三个新的介电峰,在高能区介电谱主峰位置发生蓝移,峰值强度减小.吸收谱、反射谱和折 关键词： 超晶格 第一性原理 态密度 电子结构     

晶格振动模式密度研究

晶格振动模式密度(声子态密度)即单位频率间隔内的模式数,是反映声子在波矢空间分布疏密程度的物理量.为了准确地求出晶格热容量随温度的变化关系,必须用较精确的办法计算出晶格振动的模式密度,进而掌握材料的热力学性质.一般教材中对该部分的讲解晦涩难懂,本文从晶格振动的物理意义开始,分析说明并推导一维、二维、三维不同体系的晶格振动模式密度公式,进而求出德拜模型下不同体系晶格热容公式.     

退火温度对ZrO2纳米材料中Eu3+离子发光的影响

研究了退火温度对ZrO2纳米材料中Eu3+离子发光性质的影响.材料的结构、晶粒尺寸和形状以及晶格的排列分别由XRD,TEM表征.结果表明:用共沉淀法制备的ZrO2纳米材料具有不随退火温度变化、稳定的四方结构;材料的晶粒尺寸随退火温度的提高而增大;品格的排列由无序逐渐变为有序;发射光谱表明其主要发射在595 nm和604 nm处;在394 nm的紫外光辐照下得到了不同样品的604 nm荧光发射强度的变化不同.这种现象与样品中O2-离子含量和样品表面的表面缺陷有关;另外,电荷迁移带随退火温度的变化而变化.     

交换耦合作用对纳米复合永磁材料有效各向异性的影响

以Nd_2Fe_(14)B/α-Fe纳米复合永磁材料为例,采用立方体晶粒结构模型,研究了单个晶粒中存在不同耦合状态时,有效各向异性随晶粒尺寸的变化关系.采用边界值不为零的变化函数研究了耦合部分各向异性随耦合长度的变化.计算结果表明:当两相耦合时,软磁晶粒的有效各向异性随晶粒尺寸的增加而减小,硬磁晶粒的有效各向异性随晶粒尺寸的增加而增加.对于存在软、硬两相的复合磁体,为保证较高的有效各向异性值,晶粒尺寸应保持在25nm左右.     

铥原子收敛于4f13(2F7/2o)6s(7/2,1/2)4o和4f13(2F7/2o)6s(7/2,1/2)3o偶宇称里德伯系列能级的电子关联效应

本文在多通道量子亏损理论框架下,利用相对论多通道理论,计算了铥原子收敛于4f¹³（²F_7/2^o）6s（7/2,1/2）₄^o和4f¹³（²F_7/2^o）6s（7/2,1/2）₃^o的三个偶宇称里德伯系列.通过将计算结果与美国国家标准与技术研究院数据进行比较,展示了两种类型的电子关联效应：1）里德伯系列之间的相互作用,导致里德伯系列的能级出现整体偏移;2）一个孤立的干扰态镶嵌在一个里德伯系列中,破坏了该里德伯系列能级的规则性.     

Universal enveloping algebra and differential calculi on inhomogeneous orthogonal q-groups

We review the construction of the multiparametric quantum group ISO_q,r(N) as a projection from SO_q,r (N + 2) and show that it is a bicovariant bimodule over SO_q,r(N). The universal enveloping algebra U_q,r(iso(N)), characterized as the Hopf algebra of regular functionals on ISO_q,r(N), is found as a Hopf subalgebra of U_q,r(so(N + 2)) and is shown to be a bicovariant bimodule over U_q,r(so(N)).

An R-matrix formulation of U_q,r(iso(N)) is given and we prove the pairing U_q,r(iso(N)) — ISO_q,r(N)). We analyze the subspaces of U_q,r(iso(N)) that define bicovariant differential calculi on ISO_q,r(N).     

Natural embedding of group in NMR spin algebras

NMR aspects of finite group natural-embeddings in higher n-fold spin algebras over Hilbert space are considered in the context of icosahedral cage clusters associated with specific ¹¹B borohydride, -deuteride anions for which n = 12. The focus of the discussion is on the abstract and physical models derived from permutation modules in the form of λ ├ n partitions over , where . Hence, the related Kostka expansion coefficients from the pure abstract spin space of mapping and other -combinatorial aspects, including the nature of inner tensor products arising in the high-n limit, are especially pertinent. Further insight into spin cluster NMR problems is provided by studies of -induced algebras derived from the [λ_SA] self-associated irreps. Motivation for the work comes from its potential physical applications for higher-n bi-cluster NMR problems, e.g., in spin dynamics. The representational properties derived are essential in understanding the structure of Liouville space for both SU(2) and higher spin SU(m) clusters. The Hilbert space aspects presented here impact strongly on the somewhat neglected question of the nature of subduction, i.e., involving a finite group naturally embedded in a higher group, within an implicit dual Racah symmetry chain. The essential mappings presented here include both the λ module-onto-{[λ′]} set and the aspects, where the Kostka integers of the former arise naturally in the realization of λ module mappings over .     

核磁共振碳谱研究:烷烃化学位移和(CSS)与分子路径指数矢量(VPM)

系统研究了核磁共振碳谱和化学位移规律及其定量构谱关系(QSSR).本文研究了一组十元素分子路径指数矢量VPM,并发现它与烷烃化学位移和CCS有良好线性相关性.采用多元线性回归进行准确估计与预测,结果优良.     

Reduced s-d model with antiferromagnetically coupled impurity spins

An antiferromagnetic equivalent-neighbour Heisenberg interaction H_i between impurity spins is added to the reduced s-d Hamiltonian H_r previously introduced by simplifying the Kondo s-d exchange Hamiltonian H_K. Asymptotic mean-field theory is developed for H_r + H_i, in the presence and absence of external magnetic field, and applied to (La_1−xCe_x)Al₂ alloys. Specific heat c_i(T) and zero-field susceptibility χ_i(0,T) curves for (La_1−xCe_x)Al₂ are depicted. The coupling constants of H_r + H_i and conduction bandwidth are adjusted so that T_c temperatures for x = 0.2, 0.1 are equal to the experimental values. c_i(T) exhibits a jump at T_c and is decreasing for T < T_c. χ_i(0,T) has a first order pole at T_c which corresponds to the maximum of experimental susceptibility and χ_i(0,0) > 0. These results improve those obtained earlier on the grounds of H_r theory.     

Characteristic Shear Rate for Nonlinear Viscoelastic Behavior in a Polydisperse Polymer Solution

The characteristic shear rate for nonlinear viscoelastic behavior in a polydisperse polymer system was investigated by the study of the stress overshoot behavior of polybutadiene solutions. The frequency at the crossing point of the dynamic moduli () was determined by oscillation frequency sweeps. For the stress overshoot observed in the shear flow at a fixed rate, the dependency of the stress drop, , defined as the difference between the stress at the peak and the stress at the steady state, on the shear rate can be well described by a fitting function: , and a critical shear rate () can be obtained using this fitting function. The correlation between and for the solutions can be expressed as and the proportionality factor is dependent on the degree of chain interpenetration. When the shear rate was normalized by , the dependency of the stress drop on this normalized shear rate for the solutions with different concentrations can be superposed well. This observation indicates that can be viewed as a characteristic shear rate for nonlinear viscoelastic behavior in a polydisperse polymer solution.     

Interrelations of discrete Painlevé equations through limiting procedures

We study the discrete Painlevé equations associated to the affine Weyl group which can be obtained by the implementation of a special limits of -associated equations. This study is motivated by the existence of two -associated discrete both having a double ternary dependence in their coefficients and which have not been related before. We show here that two equations correspond to two different limits of a -associated discrete Painlevé equation. Applying the same limiting procedures to other -associated equations we obtained several -related equations most of which have not been previously derived.