LaNi5氚老化效应的实验研究

测定了老化LaNi5料的解吸等温线及去氘化热力学参数.评价了氚老化对LaNi5贮氢性能的影响.结果表明,氚老化使LaNi5解吸等温线形貌发生重大改变.与新鲜材料相比,老化2140天后,在373 K下,坪台压力降低了约50%,坪斜由0.033到0.130,可逆吸氢容量减少了约1.3 mmol.g-1.老化LaNi5料去氘化反应热力学焓变ΔH和熵变ΔS分别由30.1 kJ.mol-1和105 J.mol-1.K-1增加到44.5 kJ.mol-1和128 J.mol-1.K-1.     

LaNi5和LaNi4.7Al0.3氢化物柱内氢氘间的排代

进行了室温附近LaNi5和LaNi4.7Al0.3两种材料上气-固 间氢氘的排代实验。两种材料的排代效果都较好,相比之下,LaNi5的更优。可以推测, 在不要求得到高纯氚的情况下,都可以用作氚的冷卸载贮存床。初步的理论探讨揭示,气- 固界面的化学交换反应是产生排代效应的原因,宏观交换规律决定排代效果。理想化的塔板 理论模型对排代流出曲线的描述是有效和适用的,塔板高度是材料排代性能优劣的指标,在 确定的排代条件下,如果塔板高度小于1.0 cm,应该认为具有较好的排代效果。     

LaNi5热力学性质的全电子计算

本文利用广义梯度近似(GGA)密度泛函和全势能线性缀加平面波(FLAPW)方法,计算给出了LaNi5和LaNi5H7的晶体结构、生成焓、价电子轨道分布;晶体结构和焓与试验值作了对比,结果合理、可行;La原子与2c格位Ni原子的成键较强于La原子与3g格位Ni原子的成键,所以LaNi5晶体各向异性特征较为明显;并简单分析了这些性质与LaNi5合金的稳定性、循环寿命的关系.     

LaNi5电子与能量结构的全电子计算

在全电子水平上,基于广义梯度近似(GGA)密度泛函和全势能线性缀加平面波方法(FLAPW),计算给出了LaNi5的晶体结构、能带结构、电子密度、状态密度(DOS),以及势能结构;并比较分析了自旋极化(Spin-Polarization)对这些性质的影响.全电子计算的晶体结构与实验结果符合得很好;考虑自旋极化后,仅计算出能量约为降低,而对优化结构的影响不明显.?     

用微米级LaNi5为催化剂生长的碳管的ESR谱研究

用微米级LaNi₅合金粉末为催化剂, 以乙炔为原料, 采用化学气相沉积(CVD)法合成了多壁碳纳米管. 在100~290 K温度下测量了41 μm≤d≤150 μm粒径催化剂制备的不同直径分布的碳纳米管的电子自旋共振（ESR）谱,研究了测量温度、微米级催化剂粒径及制备过程的氢气氛对生成的碳纳米管的ESR谱线型、g因子、线宽的影响. 发现碳纳米管的g因子随其直径的增大而增大,分别为2.040 0（催化剂粒径41 μm≤d≤50 μm, 碳纳米管的直径分布为10 nm到20 nm）和2.089 8（催化剂粒径100 μm≤d≤150 μm,碳纳米管的直径分布为70 nm到120 nm）. 发现小管径纳米管的ESR谱图有一个峰, 而大管径纳米管的ESR谱图有两个峰A和B, 且随测量温度的升高, 峰B强度增大.     

氦对LaNi5晶体结构的影响及其扩散特性研究

从密度泛函理论为基础的第一性原理出发,运用全势能线性缀加平面波(FLAPW)方法,对氚衰变后氦在合金中的占位以及LaNiHe晶体结构进行了理论计算,并系统给出了氦在间隙间的迁移曲线.结果表明,氦原子在十二面体(1 b)格位最稳定,并且氦从6m格位向1 b格位迁移不存在势垒,而从2d格位向1 b格位迁移则需越过1.55 eV高的势垒.另外,氦从12n格位穿过12o格位最后到达6m格位也无明显势垒存在,并且处于4h格位之间的氦原子可以自由迁移,而相应12n格位之间的直接迁移则需跨越13.6 eV高的势垒.最后还计算给出了氚衰变后合金的态密度、电子密度以及势能分布图,并与相应的LaNi5H结构作了详细比较.     

铁磁/反铁磁双层薄膜中应力各向异性研究

采用铁磁共振方法,研究了铁磁/反铁磁双层薄膜中交换各向异性和应力各向异性对其物理性质的影响.结果表明,单向各向异性来源于界面交换作用,应力各向异性对材料的磁化难易程度有较大影响.当外磁场方向与应力场方向平行时,应力场的存在将促进该方向的磁化.反之,应力场将会阻碍该方向的磁化.     

各向异性场对非晶态合金应力阻抗效应的影响

在非晶态合金材料中引入应力感生各向异性场及磁各向异性场,根据Maxwell方程组及带Gilbert项的Landau-Lifshitz方程,得到了能揭示非晶态合金材料应力阻抗效应的理论,理论结果可定性地解释实验结果. 对不同各向异性场参数下的应力阻抗效应进行了大量计算,获得了一些对理论和应用具有一定参考价值的结论. 关键词： 应力阻抗效应 应力感生各向异性 横向有效磁导率 非晶态合金     

应力各向异性对铁磁/反铁磁双层薄膜磁性质的影响

 采用铁磁共振方法,研究了交换各向异性和应力各向异性对铁磁/反铁磁双层薄膜性质的影响。结果表明：界面交换作用导致单向各向异性,应力各向异性对材料的磁化难易程度有较大影响。在外磁场方向接近应力场方向时,共振频率向高值方向移动,其它区域共振频率则向低值方向移动。对频率线宽而言,接近应力场方向,频率线宽加宽,其它区域频率线宽则变窄。此外,当磁场变化时,应力的存在使得共振频率向低值方向移动,尤其在β＝π方向情况较为复杂,在弱场范围出现了两个区域：即在某磁场范围内,共振频率向高值方向移动,且频率线宽加宽;而其它范围的共振频率（线宽）是向高值方向移动（加宽）还是向低值方向移动（变窄）,取决于外磁场的相对强弱。     

各向异性涡黏模型在通道分离流动中的应用

本文针对燃机带肋冷却通道发展了一种考虑近壁特性和远壁流动各向异性特点的代数各向异性涡黏模型。本文针对肋片处分离流动的各向异性特点,结合隐式代数应力模型和各向同性涡黏模型,推导各向异性因子修正三个正向涡黏系数,反映正雷诺应力的各向异性特点。同时,通过近壁分析完善k和ε封闭形式。将各向异性涡黏模型应用到,1)后台阶流动预测中,湍流流动预测精度提高约10%;2)带90°肋通道流动传热预测中,平均流动预测精度得到改善,传热预测精度提高6%~10%。结果表明,本文针对内冷通道的分离流动作出的各向异性修正是有效的。     

LaNi5储氢过程的热力学分析

分析了LaNi5储氢过程的热力学平衡关系,根据平衡状态下的热力学函数,导出了能够完整描述整个实验范围P-C-T关系的平衡公式.利用P-C-T平衡公式对不同温度下平衡压力与储氢量的变化曲线进行了拟合分析,计算并讨论了储氢过程中平衡反应的热力学函数.     

Theoretical study of aging effects on LaNi_5 tritium storage

1 Introduction LaNi5 intermetallic compounds, used in storage, separation and purification of hydro- gen and hydrogen isotopes, are known for a high-density storage, easy activation, low pressure, and rapid and reversible absorption and desorption[1-15]. Tritium as an impor- tant material in the nuclear industry is radioactively decaying into 3He with a half-life of 12.3 years. With time, there are many changes in the electronic and physical properties of the tritide for the deposition of 3He…     

Foreign gas broadening of an IR absorption line of formaldehyde

The theory of nuclear spin state relaxation of symmetrical molecules like formaldehyde contains a collision time t_c that is interpreted as time between rotationally inelastic molecular collisions. This time traditionally is determined from measurements of pressure broadening of spectral lines. In order to test whether these collision times, which determine spin relaxation rate constants and line broadening coefficients, respectively, are the same or at least related to another, we have performed systematic measurements of the broadening of an IR line of formaldehyde by other gases of different pressures.     

Enhanced polarization conversion for an anisotropic thin film

This work presents an explicit expression for the reflection and transmission coefficients of an anisotropic thin film in the general case in which the optical axis and the incident ray are arbitrarily directed in three dimensions. The polarization conversion quantities for reflected light from an anisotropic thin film are calculated and analyzed for two three-layered systems. With light incident from a dense medium, polarization conversion will be enhanced at a particular incident angle that exceeds the critical angle.     

Incommensurate-commensurate phase transitions in an anisotropic antiferromagnetic model on triangular lattice

An anisotropic antiferromagnetic model on a triangular lattice with competing interactions is investigated by the cluster transfer-matrix method. A phase diagram with ferrimagnetic, incommensurate, and disordered phases is found. Three order parameters are introduced. At commensurate-incommensurate and incommensurate-disorder phase transition lines two of them change in continuous and one in discontinuous way.     

An anisotropic mesh adaptation method for the finite element solution of heterogeneous anisotropic diffusion problems

Heterogeneous anisotropic diffusion problems arise in the various areas of science and engineering including plasma physics, petroleum engineering, and image processing. Standard numerical methods can produce spurious oscillations when they are used to solve those problems. A common approach to avoid this difficulty is to design a proper numerical scheme and/or a proper mesh so that the numerical solution validates the discrete counterpart (DMP) of the maximum principle satisfied by the continuous solution. A well known mesh condition for the DMP satisfaction by the linear finite element solution of isotropic diffusion problems is the non-obtuse angle condition that requires the dihedral angles of mesh elements to be non-obtuse. In this paper, a generalization of the condition, the so-called anisotropic non-obtuse angle condition, is developed for the finite element solution of heterogeneous anisotropic diffusion problems. The new condition is essentially the same as the existing one except that the dihedral angles are now measured in a metric depending on the diffusion matrix of the underlying problem. Several variants of the new condition are obtained. Based on one of them, two metric tensors for use in anisotropic mesh generation are developed to account for DMP satisfaction and the combination of DMP satisfaction and mesh adaptivity. Numerical examples are given to demonstrate the features of the linear finite element method for anisotropic meshes generated with the metric tensors.     

A variational approach for the classical anisotropic Heisenberg model in a crystal field

The variational approach based on the Bogoliubov inequality for the free energy is used to study the three-dimensional anisotropic Heisenberg XXZ model with a crystal field. The magnetization and the phase diagrams are obtained as a function of the parameters of the Hamiltonian. Limiting cases, such as isotropic Heisenberg, XY, and planar rotator models in two and three dimensions, are analyzed and compared to previous results obtained from analytical approximations as well as to those obtained from more reliable approaches such as series expansion and Monte Carlo simulations. A parametric procedure has been used in order to simplify the solutions of the self-consistent coupled equations.     

抑制超短电子脉冲展宽的补偿方法

 提出了一种有效的利用补偿元件抑制空间电荷效应所致脉冲展宽的方法。此元件为一轴对称的圆柱形空腔,金属侧壁和供脉冲输出的端面金属栅网接地以保持0电位,供脉冲进入空腔的端面小孔的内壁涂导电层并施以正电位,通过选择此端面的介电常数分布而在此端面上形成特定的电位分布。如此形成的补偿元件内部电场能够在不引入附加电子能量弥散的基础上,在空点电荷效应所致脉冲展宽极为严重的纵向和横向这两个主要方向上,均能够有效地抑制空间电荷效应,从而起到补偿电子脉冲展宽的作用。