45~#钢表面纳米晶层的高温磨损特性

通过增压喷丸方式使45#钢实现表面纳米化,采用MMU-5G高温材料端面磨损试验机进行45#钢纳米晶层摩擦磨损性能随温度变化的试验,利用TEM表征喷丸后表层的组织,DSC与显微硬度研究纳米层的热稳定性,XPS和SEM表征磨损表面的成分及形貌.结果发现:当温度低于200℃时,喷丸样品表面硬度高,有效减少实际接触面积,耐磨性能优于未喷丸样品;在200～400℃之间时,纳米化样品表层组织结构中存在大量的晶界、位错、空位等缺陷为氧原子与金属原子提供更多的扩散通道,加速疏松的Fe2O3氧化物的形成与脱落,耐磨性能低于未喷丸样品;在400～550℃之间时,喷丸样品由于回复与再结晶,与未喷丸的耐磨性能基本一致.     

含纳米粒子溶液对单晶硅表面的冲蚀磨损损伤实验研究

利用高分辨透射电子显微镜和原子力显微镜观察了含纳米颗粒溶液冲蚀硅片表面损伤行为,考察了纳米颗粒碰撞单晶硅片所导致的微观物理损伤.结果表明:冲蚀30 s后,在高分辨透射电子显微镜下可见硅片表面呈现方向性损伤,并可观察到大量非均匀的晶格缺陷;当冲蚀10 min时,硅片表面出现微观划痕和凹坑,在划痕一端可见原子堆积,亚表面可观察到镶嵌晶粒的非晶损伤层;继续延长冲蚀时间将加剧其表面损伤.     

纳米粒子与肺泡表面磷脂膜相互作用的力学机理研究

人体在吸入纳米颗粒时肺部的第一道生物屏障是肺表面活性剂(lung surfactant, LS),吸入的纳米颗粒可以到达肺部深处,从而干扰肺部的生物物理性能。目前关于金纳米粒子与LS单层的相互作用的机制研究及金纳米粒子对肺部功能的影响尚不清楚。本文使用粗粒化的分子动力学方法,研究了金纳米粒子与LS单层膜在纳米尺度上的相互作用,观察到金纳米粒子的存在使得单层膜的结构变形,改变了膜的生物物理性能,并且不同形状的纳米粒子对单层膜的影响也不相同。这些发现有助于识别空气中的纳米粒子对肺部的潜在影响。     

THE MECHANISM OF THE INTERACTION BETWEEN NANOPARTICLE AND LIPIDS MONOLAYER OF PULMONARY SURFACTANT 1)

人体在吸入纳米颗粒时肺部的第一道生物屏障是肺表面活性剂(lung surfactant, LS),吸入的纳米颗粒可以到达肺部深处,从而干扰肺部的生物物理性能。目前关于金纳米粒子与LS单层的相互作用的机制研究及金纳米粒子对肺部功能的影响尚不清楚。本文使用粗粒化的分子动力学方法,研究了金纳米粒子与LS单层膜在纳米尺度上的相互作用,观察到金纳米粒子的存在使得单层膜的结构变形,改变了膜的生物物理性能,并且不同形状的纳米粒子对单层膜的影响也不相同。这些发现有助于识别空气中的纳米粒子对肺部的潜在影响。     

纳米铜添加剂改善钢-铝摩擦副摩擦磨损性能的研究

采用环-块摩擦磨损试验机对比考察了钢-铝摩擦副在液体石蜡与含纳米铜颗粒液体石蜡润滑下的摩擦磨损特性,研究了对纳米铜添加剂添加量与载荷对其摩擦磨损性能的影响,通过对磨损表面粗糙度、形貌及其主要元素的能谱分析,探讨了纳米铜颗粒作为添加剂时钢-铝摩擦副的润滑机制.结果表明:含0.25%纳米铜颗粒液体石蜡时,钢-铝摩擦副的摩擦磨损性能最优;在不同载荷下纳米铜颗粒可以改善铝的摩擦磨损性能,特别在中等载荷(50～125 N)下,其抗磨减摩作用更明显;纳米铜颗粒能够在磨损表面形成一层低剪切强度的铜保护膜,有效地避免粘着磨损,同时阻止铝元素向钢表面的转移,从而显著改善钢-铝摩擦副的摩擦磨损性能.     

含Fe2O3摩擦层的促进形成对H13和45钢磨损性能的影响

Fe_2O_3是钢材高温或高速干滑动表面摩擦氧化物层的重要构成.本文作者通过在H13钢、45钢/GCr15钢的滑动界面添加Fe_2O_3纳米颗粒,试图促进保护性摩擦氧化物层的快速形成,避免了高温恶化材料的机械性能.研究了Fe_2O_3对H13钢和45钢磨损性能的影响,分析了摩擦氧化物层的形成机理,并探讨了基体硬度对摩擦氧化物层的作用.研究结果表明:无添加时,低硬度45钢的耐磨性明显差于高硬度的H13钢;GCr15钢在与45钢对摩时,磨损率也明显大于与H13钢对摩时.添加Fe_2O_3后,纳米颗粒在H13和GCr15钢表面迅速相互黏着并形成保护性的摩擦氧化物层,导致磨损率急剧下降,且随载荷增加仅轻微波动.而较软45钢基体对摩擦氧化物层的支撑能力较弱,摩擦氧化物层破碎,高载下磨损率明显大于低载下.     

纳米复合材料激光熔覆层组织及抗磨性能

利用5kWCO2激光器，在Ni基高温合金表面制备了纳米Al2O3／钴基合金熔覆层，分析了熔覆层的组织结构及其抗磨性能．结果表明，当纳米Al2O3颗粒含量较低时，Al2O3颗粒能均匀分布于熔覆层中，从而形成纳米氧化物弥散强化的复合材料涂层；Al2O3颗粒在熔池中长大，尺寸为250-450nm；复合材料熔覆层的硬度随纳米Al2O3含量的增加而提高；当纳米Al2O3颗粒含适中时，熔覆层的抗磨性能较好；而当纳米Al2O3颗粒含量过高(3．0％)时，复合材料熔覆层的抗磨性能反而降低。     

堆焊熔敷层表面纳米晶层摩擦磨损性能研究

用预压力滚压技术在堆焊修复层表面制备纳米晶层.利用TEM、SEM分析技术研究表面纳米晶层微观结构,利用CETR-3型多功能摩擦磨损试验机考察在干摩擦条件下堆焊层表面纳米晶层的摩擦磨损性能.结果表明堆焊修复层表面经表面纳米化处理后,表面形成厚度约为10μm(晶粒尺寸小于100 nm)的纳米晶层,最表面层平均晶粒尺寸约为10 nm.纳米压痕试验表明纳米晶层的硬度提高,最表面纳米晶层的硬度约为原始堆焊层硬度的3倍.与原始堆焊试样相比,表面纳米化试样的摩擦系数降低了10%,磨损体积降低了25%~30%左右.表面纳米化样品的磨损机制由原始堆焊层的磨粒磨损和黏着磨损转变为磨粒磨损,分析表明晶粒细化导致的高硬度、低塑性是摩擦磨损性能改善和磨损机制改变的主要原因.     

铝颗粒在激波后气流作用下的点火

对铝颗粒在激波后气流作用下的点火进行了理论分析 ,用三个不同的判据得到铝颗粒点火的延时曲线并与实验进行了比较。理论分析结果表明 ,铝颗粒可以在远低于Al2 O3 的熔点被点火 ,甚至只要在铝的熔点时就被点火。提出的铝颗粒在温度达到铝的熔点且铝完全熔化时被点火这个判据在一些条件下与实验符合很好。如果铝颗粒表面的氧化层较厚 ,则点火温度为氧化铝的熔点。     

纳米尺度下切削过程的准连续介质力学模拟

采用准连续介质力学方法模拟了镍单晶体刀具在单晶铜工件上的切削过程,深入分析了切削过程中的能量演化?应力场变化和原子位移情况等因素.结合切削过程中位错滑移等塑性行为和原子径向分布理论,揭示了切屑产生的机理,证实了切削过程中已加工表面和体相晶体结构的非晶态变化是切屑产生的主要原因.通过对纳米切削过程不同阶段的模拟表明:刀具的耕犁作用下剪切带的形成和扩展是切屑形成的初始阶段;变质层的产生是纳米切削的中间阶段并构成了加工表面组织;储存在变形晶格中的变形能超过一定值时,晶格被打破,形成非晶态结构是切屑形成的最终阶段.     

A novel method of supporting gold nanoparticles on MWCNTs： Synchrotron X-ray reduction

Gold nanoparticles decorating the surface of multiwalled carbon nanotubes （MWCNTs） are prepared by photochemical reduction. The gold clusters form different interesting geometrical faceted shapes in accordance to time duration of synchrotron X-ray irradiation. The shape of nanogold could be spherical, rod-like, or triangular. Carbon nanotubes serve as optimal templates for the heterogeneous nucleation of gold nanocrystals. These nanocrystal structures are characterized by transmission electron microscope （TEM） and element analysis by energy dispersive spectroscopy （EDS）. 2007 Chinese Society of Particuology and Institute of Process Engineering,Chinese Academy of Sciences. Published by Elsevier B.V.     

含缺陷双层石墨烯的纳米压痕模拟研究

石墨烯具有独特的力学、电学性能,被誉为是具有战略意义的新材料,具有广泛的应用前景. 目前生产的石墨烯含有各种缺陷,相较于完美石墨烯,其仍有较大应用价值. 因此有必要研究和掌握缺陷对石墨烯性能的影响,以便在目前的生产技术下,推动其工业化应用. 采用Tersoffff 势来模拟C—C 共价键的相互作用,Lernnard-Jones 势来模拟非成键碳原子之间相互作用力,基于分子动力学模拟了金刚石压头压入含缺陷双层石墨烯的纳米压痕过程,讨论了Lernnard-Jones 势函数的截断半径最佳值以及得到了典型的载荷-位移曲线. 重点探讨了Stone-Thrower-Wales、空位(包括单空位和双空位缺陷) 以及圆孔缺陷当位置不同和数目不同时对石墨烯力学性能的影响. 得出结论:薄膜中心存在缺陷时,破坏强度下降幅度特别明显. 空位缺陷在压头半径范围内存在时,临界载荷与缺陷与薄膜中心的距离成线性关系;缺陷数目越多,其杨氏模量、破坏强度等就越低. 圆孔缺陷数目在压头范围外达到一定浓度后会使石墨烯的力学性质显著降低. 本文结论也说明石墨烯结构稳定,对小缺陷不敏感,缺陷石墨烯仍具有较好的性能和使用价值.      

范德华力对多壁纳米碳管力学性质的影响

用分子动力学方法模拟了多壁纳米碳管在压缩、弯曲变形下力与变形的关系．通过与组成多壁碳管的各单壁碳管的比较分析,揭示了多壁纳米碳管层间范德华力对碳管力学性质的影响．采用Tersoff-Brenner势描述每一单壁纳米碳管内原子间作用,采用Lennard-Jones势描述碳管壁间范德华力．计算结果表明：多壁纳米碳管的比强度明显高于单壁纳米碳管．纳米碳管的半径虽然对杨氏模量影响不大,但对纳米碳管的曲屈行为影响却相当显著。     

水下多级微结构液气界面的稳定性和可恢复性研究

微结构表面浸没水下所形成的液气界面对减阻等应用具有重要意义.液气界面的稳定存在是结构功能表面发挥作用的前提. 因此,如何增强液气界面的稳定性以抵抗浸润转变过程, 以及在液气界面失稳之后,如何实现去浸润过程以提高液气界面的可恢复性能,均具有重要的科学研究意义和实际应用价值, 也是国内外研究关注的热点问题.本文针对具有多级微结构的固体表面,研究其在浸没水下后形成的液气界面的稳定性和可恢复性.通过激光扫描共聚焦显微镜对不同压强下液气界面的失稳过程和降压后的恢复过程进行原位观察,实验结果和基于最小自由能原理的理论分析相吻合.本文揭示了多级微结构抵抗浸润转变以及提高液气界面可恢复性能的机理:侧壁上的次级结构(纳米颗粒、多层翅片)通过增加液气界面在壁面的表观前进接触角增强了液气界面的稳定性;底面的次级结构(纳米颗粒和封闭式次级结构)可以维持纳米尺寸气核的存在,有利于水中溶解气体向微结构内扩散, 最终使液气界面恢复.本文的研究为通过设计多级微结构表面来获得具有较强稳定性和可恢复性的液气界面提供了思路.      

Objective structures

An objective atomic structure is a collection of atoms represented by mass points or ions for which every atom sees precisely the same atomic environment, up to rotation (or, more generally, orthogonal transformations) and translation. An objective molecular structure is a collection of molecules in which corresponding atoms in each molecule see precisely the same environment up to orthogonal transformation and translation. Many of the most actively studied structures in science satisfy these conditions, including an arbitrary ordered periodic crystal lattice, the tails and also the capsids of certain viruses, carbon nanotubes, many of the common proteins and C₆₀. A single crystal rod that has been bent and twisted into helical form also satisfies the conditions in a certain sense. The quantum mechanical significance of objective structures is described and some general methods for generating such structures are developed. Using these methods, some unexpected objective structures are revealed. Methods for simplified atomic level calculations of the energy, equilibrium and dynamics of these structures are given.     

Prediction of buckling characteristics of carbon nanotubes

In this paper, to investigate the buckling characteristics of carbon nanotubes, an equivalent beam model is first constructed. The molecular mechanics potentials in a C–C covalent bond are transformed into the form of equivalent strain energy stored in a three dimensional (3D) virtual beam element connecting two carbon atoms. Then, the equivalent stiffness parameters of the beam element can be estimated from the force field constants of the molecular mechanics theory. To evaluate the buckling loads of multi-walled carbon nanotubes, the effects of van-der Waals forces are further modeled using a newly proposed rod element. Then, the buckling characteristics of nanotubes can be easily obtained using a 3D beam and rod model of the traditional finite element method (FEM). The results of this numerical model are in good agreement with some previous results, such as those obtained from molecular dynamics computations. This method, designated as molecular structural mechanics approach, is thus proved to be an efficient means to predict the buckling characteristics of carbon nanotubes. Moreover, in the case of nanotubes with large length/diameter, the validity of Euler’s beam buckling theory and a shell model with the proper material properties defined from the results of present 3D FEM beam model is investigated to reduce the computational cost. The results of these simple theoretical models are found to agree well with the existing experimental results.     

A structural mechanics approach for the analysis of carbon nanotubes

This paper presents a structural mechanics approach to modeling the deformation of carbon nanotubes. Fundamental to the proposed concept is the notion that a carbon nanotube is a geometrical frame-like structure and the primary bonds between two nearest-neighboring atoms act like load-bearing beam members, whereas an individual atom acts as the joint of the related load-bearing beam members. By establishing a linkage between structural mechanics and molecular mechanics, the sectional property parameters of these beam members are obtained. The accuracy and stability of the present method is verified by its application to graphite. Computations of the elastic deformation of single-walled carbon nanotubes reveal that the Young’s moduli of carbon nanotubes vary with the tube diameter and are affected by their helicity. With increasing tube diameter, the Young’s moduli of both armchair and zigzag carbon nanotubes increase monotonically and approach the Young’s modulus of graphite. These findings are in good agreement with the existing theoretical and experimental results.     

无机类富勒烯过渡金属硫化物纳米材料的合成及其摩擦学应用研究进展

评述了无机类富勒烯（IF）与过渡金属硫化物（WS2和MoS2等）纳米材料的合成技术及其摩擦学应用研究的最新进展，外型为球形或近似于球形并具有嵌套中空结构的IF－WS2和IF－MoS2纳米果粒具有潜在的摩擦学应用前景；对含有IF－WS2纳米颗粒的复合材料和Ni-P复合镀层的研究表明，其比含有石墨和层状2H－WS2粉末的固体润滑剂具有更优异的摩擦学性能。     

Surface effects on the persistence length of nanowires and nanotubes

Surface effects on the persistence length of quasi-one-dimensional nanomaterials are investigated by using the theory of surface elasticity and the core–shell model of nanobeams. A simple and unified expression is provided to determine the persistence length of nanowires and nanotubes with any regular polygonal cross-sections. It is demonstrated that surface effects have a distinct influence on the persistence length when the characteristic sizes of materials shrink to nanometers. This work is helpful not only for understanding the size-dependent behavior of nanomaterials but also for the design of devices based on nanotubes or nanowires.     

INTERACTION-MEDIATED GROWTH OF CARBON NANOTUBES ON ACICULAR SILICA-COATED a-Fe CATALYST BY CHEMICAL VAPOR DEPOSITION BY CHEMICAL VAPOR DEPOSITION

1. Introduction Carbon nanotubes (CNTs), a kind of the most advanced nanomaterials with novel properties and promising for many applications, have aroused great interest of the world in a number of research fields (Iijima, 1991; Baughman et al., 2002; Iijima & Ichihashi, 1993; Rao & Govindaraj, 2002; Rueckes et al., 2000; Adrian et al., 2001; Javey et al., 2003). Catalytic chemical vapor deposition (CCVD) is re-garded as the most suitable method for the preparation of microstructured CN…