缺陷对碳纳米管摩擦与运动行为的影响

本文采用分子动力学方法研究了公度、无公度情况下含空位、Stone-Thrower-Wales(STW)型缺陷的单壁碳纳米管(SWCNT)在石墨基底上的摩擦与运动行为.结果表明,公度时缺陷的存在导致了界面局部无公度,减小了摩擦.随着碳纳米管底部STW缺陷的增多,碳纳米管变形增大,侧向力波动的幅值减小,局部无公度性增强,摩擦减小.含空位缺陷的碳纳米管所受的摩擦力明显大于含STW缺陷的碳纳米管,原因在于含空位缺陷的碳纳米管在运动的后期出现了明显的翻转现象,增大了能量耗散.无公度时,碳纳米管与石墨基底间的摩擦力很小,缺陷对其摩擦力影响不大,原因在于无论是否含有缺陷,碳纳米管与石墨组成的界面的无公度性差别不大.     

Monitoring of distributed defects on HSM spindle bearings

The High Speed Machining (HSM) spindle is one of the most critical bearing applications, because it requires both high speed and high power in order to obtain high quality and productivity. Therefore, bearing condition monitoring is important. Firstly, this paper presents a real and typical spindle life example. The vibration signals and their evolution are discussed in relation to the bearing failures that have been observed after the spindle disassembly. Cleavage notably occurred on the ceramic balls of the hybrid ball bearing. Damaged balls and their chippings then damaged uniformly the rings raceways on the whole circumference. As a consequence, a noise component increases in vibration signal due to the worsening of the ball-race contact during the rolling process. In a second section, the noise component produced by bearing condition is studied and characterized. The frequency spectrum distribution is briefly discussed in relation to a signal model. It is demonstrated by Pearson’s test that the distribution follows a Gaussian law all along the spindle life. Besides, it evolves with bearing condition. Thus, a new criterion, called SBN (Spindle Bearing Noise), is proposed for the monitoring of the uniformly distributed defect. A specific monitoring device was also developed in order to collect real industrial data during the spindle lifetime. Vibration signals are used in order to evaluate the criterion relevancy by comparison with the current best practices. The analyses through three required conditions for bearing condition monitoring and based on three spindles signals, have shown some good results.     

Influence of preliminary ultrasonic treatment upon the steady-state creep of metals of different stacking fault energies

This paper addresses the issue of the ultrasound effects upon the creep deformation of metals with different levels of stacking fault energy. The influence of preliminary ultrasound irradiation time upon the steady state creep rate is considered. Synthetic theory of irrecoverable deformation is taken as a mathematical apparatus. The analytical results show good agreement with experimental data.     

Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

High-entropy alloys (HEAs) and medium-entropy alloys (MEAs) have attracted a great deal of attention for developing nuclear materials because of their excellent irradiation tolerance. Herein, formation and evolution of radiation-induced defects in NiCoFe MEA and pure Ni are investigated and compared using molecular dynamics simulation. It is observed that the defect recombination rate of ternary NiCoFe MEA is higher than that of pure Ni, which is mainly because, in the process of cascade collision, the energy dissipated through atom displacement decreases with increasing the chemical disorder. Consequently, the heat peak phase lasts longer, and the recombination time of the radiation defects (interstitial atoms and vacancies) is likewise longer, with fewer deleterious defects. Moreover, by studying the formation and evolution of dislocation loops in Ni-Co-Fe alloys and Ni, it is found that the stacking fault energy in Ni-Co-Fe decreases as the elemental composition increases, facilitating the formation of ideal stacking fault tetrahedron structures. Hence, these findings shed new light on studying the formation and evolution of radiation-induced defects in MEAs.     

Enhancement of thermoelectric efficiency in vapor deposited Sb2Te3 and Sb1.8In0.2Te3 crystals

Pure and indium doped antimony telluride (Sb₂Te₃) crystals find applications in high performance room temperature thermoelectric devices. Owing to the meagre physical properties exhibited on the cleavage faces of melt grown samples, an attempt was made to explore the thermoelectric parameters of p‐type crystals grown by the physical vapor deposition (PVD) method. The crystal structure of the grown platelets (9 mm× 8 mm× 2 mm) was identified as rhombohedral by x‐ray powder diffraction method. The energy dispersive analysis confirmed the elemental composition of the crystals. The electron microscopic and scanning probe image studies revealed that the crystals were grown by layer growth mechanism with low surface roughness. At room temperature (300 K), the values of Seebeck coefficient S (⊥ c) and power factor were observed to be higher for Sb_1.8In_0.2Te₃ crystals (155 μVK⁻¹, 2.669 × 10⁻³ W/mK²) than those of pure ones. Upon doping, the thermal conductivity κ (⊥ c) was decreased by 37.14% and thus thermoelectric efficiency was improved. The increased figure of merit, Z = 1.23 × 10⁻³ K⁻¹ for vapour grown Sb_1.8In_0.2Te₃ platelets indicates that it could be used as a potential thermoelectric candidate.     

含缺陷的二维CuI光电性质的第一性原理计算

基于密度泛函理论计算了本征缺陷时二维CuI的光电特性,分析了能带结构以及复介电函数.本征2D CuI的带隙值为1.56 eV,为直接带隙半导体;I和Cu缺陷的引入使2D CuI的带隙值小,Cu缺陷的引入并未改变2D CuI的带隙方式,而I缺陷的引入使2D CuI变为间接带隙半导体.光学性质计算结果表明本征2D CuI的静介电函数为2.47, I缺陷的引入对2D CuI的静介电函数影响较小,但是在Cu缺陷时2D CuI的静介电函数急剧增大.     

光学元件的激光损伤问题

光学元件是各类激光系统不可或缺的光学功能实现部件,其性能决定了激光系统的输出能力和光束质量。光学元件的激光损伤问题从激光发明起就一直伴随着激光技术的发展,随着激光新技术的发展和激光新应用的牵引,激光的波段、脉冲宽度以及重复频率等参数不断拓宽,使得激光损伤问题更加复杂,但万变不离其宗,激光损伤问题的核心是光学元件或光学材料对激光的吸收机制问题。从激光与光学材料相互作用的基本原理出发,以惯性约束聚变（ICF）激光驱动器应用的典型光学材料和光学元件为研究对象,回顾了针对光学元件的激光损伤问题开展的科研工作,总结了在此期间形成的关键技术和里程碑进展,同时也对依然困扰该领域的几类光学元件存在的问题瓶颈以及进一步研究发展趋势进行了展望。     

First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice

When the GaAs/AlGaAs superlattice-based devices are used under irradiation environments, point defects may be created and ultimately deteriorate their electronic and transport properties. Thus, understanding the properties of point defects like vacancies and interstitials is essential for the successful application of semiconductor materials. In the present study, first-principles calculations are carried out to explore the stability of point defects in GaAs/Al_0.5Ga_0.5As superlattice and their effects on electronic properties. The results show that the interstitial defects and Frenkel pair defects are relatively difficult to form, while the antisite defects are favorably created generally. Besides, the existence of point defects generally modifies the electronic structure of GaAs/Al_0.5Ga_0.5As superlattice significantly, and most of the defective SL structures possess metallic characteristics. Considering the stability of point defects and carrier mobility of defective states, we propose an effective strategy that Al_As, Ga_As, and Al_Ga antisite defects are introduced to improve the hole or electron mobility of GaAs/Al_0.5Ga_0.5As superlattice. The obtained results will contribute to the understanding of the radiation damage effects of the GaAs/AlGaAs superlattice, and provide a guidance for designing highly stable and durable semiconductor superlattice-based electronics and optoelectronics for extreme environment applications.     

On Bending–Tension Coupling of Laminates

This paper deals with the evaluation of coupling between the in and out of plane behaviours of a laminate composed of identical anisotropic layers. The subject has been motivated by problems arising from coupling in modern practical industrial applications. Coupling is an effect which is often undesired by laminate designers, and some rules and solutions, recalled in the paper, are known today to counter it. Two subjects are analysed in the article: firstly, it is considered the problem of finding the stacking sequence angles which determine the maximum coupling of a laminate whose number of plies and elementary layer properties are known. Secondly, the sensitivity of uncoupling to an orientation defect is analysed, that is, how coupling changes when an error in the orientation of one layer is made: a simple and exact formula assessing the degree of coupling, which is the ratio of the real coupling with respect to the possible maximum, is given. The polar method, proposed by G. Verchery, has been used to develop the research, which is made in the theoretical framework of the Classical Laminated Plate Theory. This revised version was published online in July 2006 with corrections to the Cover Date.     

Elastic theory of icosahedral quasicrystals - application to straight dislocations

In quasicrystals, there are not only conventional, but also phason displacement fields and associated Burgers vectors. We have calculated approximate solutions for the elastic fields induced by two-, three- and fivefold straight screw- and edge-dislocations in infinite icosahedral quasicrystals by means of a generalized perturbation method. Starting from the solution for elastic isotropy in phonon and phason spaces, corrections of higher order reflect the two-, three- and fivefold symmetry of the elastic fields surrounding screw dislocations. The fields of special edge dislocations display characteristic symmetries also, which can be seen from the contributions of all orders. Received 21 February 2001 and Received in final form 27 June 2001