Local-moment and itinerant antiferromagnetism in the heavy-fermion system Ce(Cu1−xNix)2Ge2

Elastic and inelastic neutron-scattering studies on the system Ce(Cu_1?xNi_x)₂Ge₂ are reported. These measurements are complemented by measurements of the magnetic susceptibility, high-field magnetization, heat capacity, thermal expansion, electrical resistivity and thermopower. The results reveal an interesting T-x phase diagram consisting of two different antiferromagnetic phases for x < 0.2 and 0.2 < x < 0.75, respectively, and a heavy-Fermi-liquid regime at higher Ni concentrations. The experimental results are interpreted in terms of an alloying-induced transition from local-moment to itinerant heavy-fermion magnetism. Fingerprints of this latter phase are a strongly reduced ordered moment and a short incommensurate ordering wave vector, in accord with theoretical predictions. A surprisingly good agreement between theory and experiment is found for x > 0.5. Further experimental evidence for different types of antiferromagnetic ordering derives from a line-shape analysis of the quasielastic neutron-scattering intensity, from magnetization and thermopower experiments.     

黑体辐射在工业冶炼金属镍中的应用

本文主要介绍一种金属镍出炉时间的自动控制方法。在冶镍炉上开一个小孔,近似认为是理想黑体,通过光路选择系统将辐射出的光照射在热电偶上,然后将热电偶上的电压信号用运算放大器放大,可以获得温度和电动势之间的关系。通过一个微控制器形成一个闭环的测温和反馈系统,以构成一个实时的控制系统.     

高压下固相硝基甲烷分解的分子动力学计算

基于ReaxFF, 采用NVT系综和Berendsen方法对0–7 GPa时和2500 K时固相硝基甲烷的 分解过程进行分子动力学计算, 通过分析硝基甲烷发生分解反应生成的碎片数量随时间的变化, 对不同压强下硝基甲烷的分解机理进行研究. 计算结果表明在0–3 GPa时, 初始分解路径为C–N键断裂和硝基甲烷的异构化; 在4–7 GPa 时, 初始分解路径为分子间质子转移和C–N, N–O键的断裂; 在硝基甲烷的第二阶段反应中存在H₂O, NO, NO₂, HONO, 硝基甲烷分子自身的催化反应. 硝基甲烷在高温高压下发生热分解反应生成碳团簇, 且团簇中碳原子的数量和碳团簇的空间构型随着压强的变化而变化. 关键词： ReaxFF 分子动力学 热分解 压强效应 碳团簇     

硅熔化特性的分子动力学模拟–-不同势函数的对比研究

分别采用Stillinger-Weber (SW)势、修正的成熟原子嵌入模型(MEAM)势、 Tersoff势和HOEP (highly optimized empirical potential)势来描述硅原子间相互作用, 运用分子动力学方法对比模拟研究了四种势函数的硅晶体的体熔化和表面熔化特性. 结果表明: 四种势函数均能反映出硅的热膨胀、高温熔化和熔化时吸热收缩等基本物理规律. 但综合对比发现, Tersoff势和MEAM势相对更适合描述硅的熔化和凝固过程, SW势次之, HOEP势则不适合描述硅的熔化和凝固过程. 关键词： 硅 势函数 熔化 分子动力学     

SF分子基态及低激发态势能函数与光谱常数的研究

采用含Davidson修正的内收缩多参考组态相互作用的方法和考虑相对论修正, 在价态范围内的最大相关一致基 aug-cc-pV6Z 的条件下, 对SF分子的基态²∏及几个低激发态⁴∑^-, ²∑^-, ²Δ进行了势能扫描计算. 对SF分子的势能曲线进行拟合, 得到了该分子的光谱常数R_e, ω_e, ω_eχ_e, D₀, D_e, B_e和 α_e, 通过比较发现它们与已有的实验结果较为一致. 利用SF分子的势能曲线, 通过求解双原子分子核运动的径向Schrödinger方程得到J=0 时SF分子所计算各电子态的多个振动态. 对于每一振动态, 分别计算了振动能级、惯性转动常数和离心畸变常数. 关键词： SF 势能曲线 光谱常数 分子常数     

面心立方晶体外延膜沉积生长中失配位错的结构与形成过程

用分子动力学方法对5%负失配条件下面心立方晶体铝薄膜的原子沉积外延生长进行了三维模拟.铝原子间的相互作用采用嵌入原子法(EAM)多体势计算.模拟结果再现了失配位错的形成现象.分析表明，失配位错在形成之初即呈现为Shockley扩展位错，即由两个伯格斯矢量为〈211〉/6的部分位错和其间的堆垛层错组成，两个部分位错的间距、即层错宽度为1.8 nm,与理论计算结果一致；外延晶体薄膜沉积生长中，位错对会发生滑移，但其间距保持稳定.进一步观察发现，该扩展位错产生于一种类似于“局部熔融-重结晶”的表层局部无序紊乱- 关键词： 失配位错 外延生长 薄膜 分子动力学 铝     

Implementation of the Laser Diffraction Technique for Acoustic Cavitation Bubble Investigations

Knowledge of the acoustic cavitation cloud would be useful for improving ultrasound reactor design. Among the characterisation techniques, few are adapted to bubble investigations in an intense ultrasound field. Some problems raised by these measurements result from interactions between the acoustic pressure wave and the measuring light wave. This paper reports the implementation of the laser diffraction technique to determine the size and volume concentration of bubbles generated by a dipping horn operating at 20 kHz. Measurements were performed with a Malvern 2600 instrument. The size distribution, deduced from the diffraction pattern scattered by the bubble cloud crossed by a laser beam, is disturbed by the acoustic pressure wave involving deviation of a light beam at low diffusion angles (acousto‐optic effect). A bubble size correction procedure based on the subtraction of the light energy due to the ultrasound wave is described. The size measurements, and thus the correction procedure, were validated by a second laser technique based on a different measuring principle: phase Doppler interferometry. The measurement reliability was further confirmed by an original application of laser diffraction based on measurements performed just after sonication. These three methods lead to a mean bubble size (Sauter mean diameter) of about 10 μm at a high ultrasound power input. Concerning the void fraction, only measurements achieved after sonication and by laser diffraction predict a correct estimation of this parameter.     

Correction of self-absorption spectral line and ratios of transition probabilities for homogeneous and LTE plasma

Expressions for fundamental spectral line parameters are reported for Gaussian and Lorentzian shape profiles for homogeneous plasma at equilibrium in presence of the self-absorption. These expressions for Lorentzian profiles are applied to the determination of the ratios of transition probabilities and the ratios of optical thicknesses by a new method that we propose in this article. The self-absorption is computed by spectral line profiles with a Simplex algorithm program fitting. Applications to some experimental lines illustrate the appropriate corrections.     

On the existence of self-similar solutions of the equations governing unsteady flow through a porous medium

In this paper the conditions for the existence of self-similar solutions of the equations governing unsteady flows through a porous medium are presented and discussed. The first two sections deal with the case of non-Newtonian fluids of power-law behavior; the third section analyzes the case of non-Darcy gas flows. The boundary and initial conditions occuring currently in a large class of fluid mechanics problems, of practical interest in engineering, are considered.