纳米接触过程中黏着规律的变化

本文应用大规模分子动力学方法, 模拟了两种具有不同粗糙形貌的、刚性球形探头与弹性平面基体之间的纳米尺度接触, 计算了探头与基体之间的拉离力和黏着功, 研究了接触过程中界面黏着力随载荷的变化规律, 分析了接触界面原子的法向应力分布. 研究发现, 原子级光滑接触的黏着力随着载荷的增大而线性增大, 而原子级粗糙接触的黏着力-载荷曲线分为以不同斜率增长的两个阶段. 相比于原子级光滑探头, 原子级粗糙探头与基体之间具有较小的拉离力和黏着功, 却在接触过程中形成了较大的黏着力. 因此, 拉离力和黏着功不能表征出纳米接触过程中原子吸引作用对界面法向力的贡献大小.     

表面黏附导致的接触行为转变

应用大规模分子动力学方法, 模拟了具有不同原子级粗糙形貌的两种刚性球形探头与弹性平面基体的黏附接触行为. 研究了载荷与真实接触面积、接触界面排斥力与真实接触面积, 以及黏附力与真实接触面积之间的关系. 分子模拟得到的载荷与真实接触面积的关系, 与连续力学接触理论预测很好地定性一致. 无论是原子级光滑探头还是粗糙探头, 黏附接触下的排斥力与真实接触面积的关系, 都与无黏附接触时的规律相一致, 即黏附力对接触行为的影响作用, 可以等效为附加在真实外载荷基础上的虚拟载荷, 将对黏附接触行为的分析转变为无黏附接触分析. 两种探头的黏附力随真实接触面积都呈幂函数形式的增长, 但是, 原子级光滑探头的幂指数大于1, 而原子级粗糙探头的幂指数小于1. 关键词： 接触行为 表面黏附 分子动力学模拟     

摩擦导致的聚合物表层微观结构改变

应用大规模分子动力学方法, 模拟了锥形探头在非晶态聚合物薄膜表面的滑动摩擦过程, 研究了摩擦导致的聚合物薄膜表层微观结构改变, 以及探头与基体间黏着作用、滑动速度和分子链长度对基体表层微观结构改变的影响. 当探头与基体之间为黏着作用时, 摩擦导致基体表面滑痕区域的键取向沿滑动方向重新取向, 导致表层分子链回转半径沿滑动方向伸长, 并且这些表层微观结构的改变程度随滑动速度的减小而增大. 在摩擦导致结构改变的过程中, 链端单体和链中单体的贡献作用不同, 形成了不同的分子链拉伸变形机制. 当样本缠结度较大或探头滑动速度较小时, 相比于链中单体, 探头对链端单体的拖曳作用使更多分子链发生拉伸变形. 研究还发现, 在探头与聚合物薄膜系统中, 使薄膜表层微观结构发生改变是摩擦能量耗散的重要途径.     

40Cr钢表面激光熔覆层的磨损性能

 为研究模具钢熔覆层的磨损性能,采用铁基粉在40Cr钢表面进行激光熔覆,以激光熔覆层为上试样,GCr15钢珠为下试样,采用HT－500磨损试验机进行摩擦磨损试验,并与40Cr基体的磨损性能相对比。利用表面形貌仪测量磨痕深度和宽度。研究结果表明：载荷小于250 g时,相同载荷下基体的摩擦系数大。载荷小于300 g时,随磨损时间延长,熔覆层、基体的摩擦系数都随着载荷增加而减小。当载荷为300 g时,基体的摩擦系数在0.563～0.589之间变化,平均值为0.576,且随时间逐渐升高,耐磨性变差;熔覆层的磨擦系数在0.431～0.457之间变化,平均摩擦系数为0.444,磨痕深度和宽度分别是0.65 mm和1.096 μm,且随时间逐渐下降,表现了良好的耐磨性能。当载荷增加到500 g时,平均摩擦系数和磨痕深度比300 g时分别增加了75％和47倍,且摩擦系数逐渐升高,磨损性能下降。     

40Cr钢表面激光熔覆层的磨损性能

为研究模具钢熔覆层的磨损性能,采用铁基粉在40Cr钢表面进行激光熔覆,以激光熔覆层为上试样,GCr15钢珠为下试样,采用HT－500磨损试验机进行摩擦磨损试验,并与40Cr基体的磨损性能相对比。利用表面形貌仪测量磨痕深度和宽度。研究结果表明：载荷小于250 g时,相同载荷下基体的摩擦系数大。载荷小于300 g时,随磨损时间延长,熔覆层、基体的摩擦系数都随着载荷增加而减小。当载荷为300 g时,基体的摩擦系数在0.563～0.589之间变化,平均值为0.576,且随时间逐渐升高,耐磨性变差;熔覆层的磨擦系数在0.431～0.457之间变化,平均摩擦系数为0.444,磨痕深度和宽度分别是0.65 mm和1.096 μm,且随时间逐渐下降,表现了良好的耐磨性能。当载荷增加到500 g时,平均摩擦系数和磨痕深度比300 g时分别增加了75％和47倍,且摩擦系数逐渐升高,磨损性能下降。     

SiC表面圆环槽边缘效应实验研究

基于固体边缘效应,对碳化硅(SiC)表面激光加工圆环形沟槽的润湿特性进行实验研究,通过分析去离子水在圆环槽上的润湿性能及其在边缘处的铺展行为,获得了环槽深度与环槽宽度对液滴在边缘处最大表观接触角的影响规律.结果表明,SiC圆环槽阻碍液滴铺展,光滑基体表面上接触角为70°,激光加工圆环槽深度为290μm,宽度为1 mm时...     

正癸烷纳米液滴润湿特性的分子动力学研究

流体液滴在固体表面的浸润性对其润滑性能至关重要.本文利用分子动力学方法研究了正癸烷纳米液滴在铜表面上的润湿特性.结果表明：在平坦光滑表面上,壁面的厚度和分子数目对润湿效果影响不大.随着壁面能量势阱参数εs 增大,接触角线性减小.随着温度升高,液滴的接触角减小.在沟槽粗糙表面上,随着粗糙度因子增大,对于疏液表面,接触角增大到一定值后基本保持不变,符合Cassie理论;中性和亲液表面接触角则会减小,为Wenzel润湿模式.当表面分数增大时,疏液与亲液表面接触角整体呈减小的趋势,对中性表面影响不大.当温度升高时,粗糙疏液表面接触角会增大,润湿效果更差,而粗糙中性和亲液表面液滴润湿性会更好.     

微纳间隙受限液体的界面黏着机理研究

利用球-盘接触黏着试验仪对微量受限液体的界面黏着行为的研究发现：临界体积范围内（皮升到纳升）的受限液滴达到临界厚度后将出现自动铺展和瞬时收缩行为（分别对应球-盘趋进和分离过程）,并同时提供一定幅值的法向黏着力及伴随出现力的突变;该界面黏着力与液滴体积、球的直径等相关,并很好地揭示了昆虫或树蛙爪垫与光滑表面间的湿黏着行为.在进一步试验的基础上,利用球—面接触模型的毛细黏着力公式对所观察到的试验现象进行了机理揭示,认为临界体积受限液滴出现的自动铺展和瞬时收缩行为与接触副的刚度相关,最大法向黏着力随液体体积的减小而减小,与接触副之间受限液体的中心区厚度有关.结合生物黏着爪垫进行了受限液体界面黏着控制机理的分析,可以指导仿生黏着爪垫的设计与控制. 关键词： 生物黏着爪垫 毛细黏着力 受限液体     

Li2O-Al2O3-SiO2微晶玻璃表面粗糙度对纳米硬度测试的影响

 介绍了纳米压痕测试技术的基础理论及纳米压痕法常用的Oliver -Pharr方法的计算原理。采用纳米压痕试验测得不同表面粗糙度的Li2O-Al2O3-SiO2微晶玻璃样品的纳米硬度、弹性模量和载荷-位移曲线。结果表明样品表面粗糙度会降低纳米压痕测试结果的稳定性、准确性和可靠性：样品表面粗糙度越小,测得的纳米硬度和弹性模量值波动越小,载荷-位移曲线重合性越高。随着最大载荷的增大,测得的弹性模量逐渐减小,其原因是压痕边缘材料发生了塑形变形。在超光滑表面样品（Ra=0.9 nm）上测得较为准确的Li2O-Al2O3-SiO2微晶玻璃纳米硬度和弹性模量值分别为8.8 GPa和7.79 GPa。纳米压痕测试结果的重合度对于评价超光滑表面完整性研究具有指导意义。     

纳米接触行为的三维多尺度数值模拟

应用分子动力学与有限元耦合的桥域多尺度算法,模拟三维刚性球形压头与光滑基体表面的纳米尺度接触行为,并与全原子分子模拟结果比较.考察在一定载荷下的系统弛豫行为、两种模型桥接区位移和应力的连续性、法向力和接触面积随压头位移变化等,结果表明:一定外载荷下,桥域多尺度算法能较快达到平衡状态,且压头的振荡幅度更小,系统初始温度为0 K时该算法的相对误差最小.在准静态加载过程中,该算法能够将原子区的位移、应力等连续的过渡到连续介质区,具有较好的耦合效果;法向力-压头位移和接触半径-压头位移曲线几乎与分子模拟结果重合,表明算法具有较高的计算精度.     

Mechanism of microweld formation and breakage during Cu-Cu wire bonding investigated by molecular dynamics simulation

Currently,wire bonding is the most popular first-level interconnection technology used between the die and package terminals,but even with its long-term and excessive usage,the mechanism of wire bonding has not been completely evaluated.Therefore,fundamental research is still needed.In this study,the mechanism of microweld formation and breakage during Cu-Cu wire bonding was investigated by using molecular dynamics simulation.The contact model for the nanoindentation process between the wire and substrate was developed to simulate the contact process of the Cu wire and Cu substrate.Elastic contact and plastic instability were investigated through the loading and unloading processes.Moreover,the evolution of the indentation morphology and distributions of the atomic stress were also investigated.It was shown that the loading and unloading curves do not coincide,and the unloading curve exhibited hysteresis.For the substrate,in the loading process,the main force changed from attractive to repulsive.The maximum von Mises stress increased and shifted from the center toward the edge of the contact area.During the unloading process,the main force changed from repulsive to attractive.The Mises stress reduced first and then increased.Stress concentration occurs around dislocations in the middle area of the Cu wire.     

Nanotribological properties of silicon surfaces nanopatterned by laser interference lithography

The problems caused by the adhesive force and friction force become more critical when the size of M/NEMS devices shrinks to micro/nano-scale. The nanotexture-patterned surface is an effective approach to reduce friction force on micro/nano-scale. Laser interference lithography is an attractive method to fabricate micro/nanotextures, which is maskless and allows large area periodical structures to be patterned by a couple of seconds’ exposure in a simple equipment system. We fabricate various nanogrooves with different pitch and space width on silicon wafers by laser interference lithography and chemical etching. We investigate the nanotribological properties of the patterned surfaces by AFM/FFM. We show that friction on the nano/micro-scale is related to the coverage rate of the nanogrooves, which decreases with increase in the space width and decrease in the pitch.     

原子力显微镜在轻敲模式下的动力学模型

基于Hamaker假设、Lennard-Jones势能定律及经典弹性理论建立了一种新型的球体与平面黏着接触的弹性模型，该模型显示黏着力在原子力显微镜(AFM)针尖趋近和撤离样品表面，即加载和卸载的两个过程中存在黏着滞后现象，表明了AFM在轻敲工作模式中存在能量耗散.同时，根据所建的黏着接触弹性模型，建立了AFM在轻敲工作模式下的动力学模型，研究了AFM在轻敲工作模式下的振动幅度、相位差及耗散功率随针尖与样品表面间距的变化规律，仿真结果与现有的实验结果相一致.     

Scratch direction and threshold force in nanoscale scratching using atomic force microscopes

The nanoscaled tip in an AFM (atomic force microscope) has become an effective scratching tool for material removing in nanofabrication. In this article, the characteristics of using a diamond-coated pyramidal tip to scratch Ni-Fe thin film surfaces was experimentally investigated with the focus on the evaluation of the influence of the scratch or scan direction on the final shape of the scratched geometry as well as the applied scratch force. Results indicated that both the scratched profile and the scratch force were greatly affected by the scratch direction. It has been found that, to minimize the formation of protuberances along the groove sides and to have a better control of the scratched geometry, the tip face should be perpendicular to the scratching direction, which is also known as orthogonal cutting condition. To demonstrate the present findings, three groove patterns have been scratched with the tip face perpendicular to the scratching direction and very little amount of protuberances was observed. The threshold scratch force was also predicted based on the Hertz contact theory. Without considering the surface friction and adhesive forces between the tip and substrate, the threshold force predicted was twice smaller than the measurement value. Finally, recommendations for technical improvement and research focuses are provided.     

AFM针尖-测试面接触分子动力学研究

针对AFM针尖-测试面的接触问题,利用分子动力学模拟针尖同测试面间的"跳跃粘附"和"颈缩分离"过程;分析接触力同接触间隙的关系及测试面压力分布;发现分离过程滞后粘附过程;得到接触力大小只与接触区域附近少数原子层有关,且接触区域近处原子受压力、远处受拉力的结论;讨论测试面位错半径同接触力和接触间隙的关系.     

凹槽铜基底表面与单层石墨烯的相互作用特性研究

基于石墨烯二维材料的诸多应用需要将其大面积、高质量地转移到目标基底上,迫切需要了解石墨烯在剥离和转移过程中与基底之间的相互作用特性.本文采用经典分子动力学方法探索了铜基底表面凹槽的几何特征尺寸对石墨烯吸附和剥离过程中凹槽基底对石墨烯吸附作用的影响机理和规律.结果表明:对于固定边界条件下的单层石墨烯,当基底表面的凹槽宽度固定不变时,吸附过程中基底对石墨烯的吸附力随二者间距的减小,呈现先增大后减小的趋势;其最大吸附力随凹槽深度的增加而增大,而当凹槽深度继续增大至石墨烯未能吸附进入凹槽底部的临界值时,吸附力迅速减小;剥离过程中,石墨烯完全剥离的临界作用力随凹槽深度的增加同样呈现先增大后减小的趋势,且与剥离前石墨烯与凹槽基底的相互作用面积有关;当基底表面凹槽的深度固定不变时,吸附和剥离过程中石墨烯-基底之间的吸附力随间距的变化规律取决于石墨烯在基底凹槽处的稳态吸附构型.     

Physical properties of dynamic force microscopies in contact and noncontact operation

In the field of Scanning Force Microscopy several dynamical contact and noncontact modes have been introduced increasing the range of detectable surface and interface properties, and allowing to detect material properties such as elasticity and mass density on the nanometer scale. A detailed understanding of tip/surface interactions and the dynamic processes involved is required to understand the origin of a material contrast using these techniques. Here a general method to solve the equation of motion of a vibrating SFM cantilever/tip system in an external force field is presented. Contact modes as well as intermittent contact modes are discussed using a single set of equations describing the cantilever/tip motion, and by varying the size of amplitudes of the vibrating cantilever/tip system. To quantitatively describe the oscillation behavior of the SFM cantilever at large amplitudes the computer simulations are based on the MYD/BHW model providing a realistic contact model with respect to the contact area, the size of the contact forces as well as the transition from repulsive to attractive forces. The results are compared with the experiment and with different approaches based on analytical and numerical models.     

Effects of non-flat contact and interference on self-assembled monolayers under sliding friction

The nanotribology mechanism of alkanethiol self-assembled monolayers (SAM) chemisorbed on a gold surface under a non-flat contact by a tilt plane was studied using molecular dynamics (MD) simulations. The molecular trajectories, tilt angles, normal forces, shear forces, and frictional coefficient of the SAM were evaluated during the friction and relaxation processes for various parameters, including the tilt angle of the slider, interference magnitude, and SAM length. At the nanoscale, the magnitude of interface interactional forces is strongly dependent on the magnitude of the contact area, not on the surface geometry. The contact area and the exerted normal force of the SAM increase with decreasing the tilt angle of the slider at the same contact interference. In contrast, the periods in both normal force and shear force are gradually delayed as the tilt angle of the slider increases. Once the contact interference increases, the normal force and shear force increase together. During the sliding friction process with a smaller tilt slider angle, SAM molecules can maintain a better collective ordered structure. Short SAM molecules are more sensitive to a compressive loading and react to a larger normal force under the same contact interference due to the deformation of a larger tilt angle and decrease in chain length. The friction coefficient of SAM is significantly more dependent on the tilt angle of the slider than the contact interference.