界面结构对Cu/Ni多层膜纳米压痕特性影响的分子动力学模拟

金属多层膜调制周期下降到纳米级时,其力学性质会发生显著改变. Cu-Ni晶格失配度约为2.7%,可以形成共格界面和半共格界面,实验中实现沿[111]方向生长的调制周期为几纳米且具有异孪晶界面结构的Cu/Ni多层膜,其力学性质发生显著改变.本文采用分子动力学方法对共格界面、共格孪晶界面、半共格界面、半共格孪晶界面等四种不同界面结构的Cu/Ni多层膜进行纳米压痕模拟,研究压痕过程中不同界面结构类型的形变演化规律以及位错与界面的相互作用,获取Cu/Ni多层膜不同界面结构对其力学性能的影响特征.计算结果表明,不同界面结构的样品在不同压痕深度时表现出的强化或软化作用机理不同,软化机制主要是由于形成了平行于界面的分位错以及孪晶界面的迁移,强化机制主要是由于界面对位错的限定作用以及失配位错网状结构与孪晶界面迁移时所形成的弓形位错之间的相互作用.     

Structure and mechanical properties of Al/AlN multilayer with different AlN layer thickness

Nanometer scale Al/AlN multilayers have been prepared by dc magnetron sputtering technique with a columnar target. A set of Al/AlN multilayers with the Al layer thickness of 2.9 nm and the AlN layer thickness variation from 1.13 to 6.81 nm were determined. Low angle X-ray diffraction (LAXRD) was used to analyze the layered structure of multilayers. The phase structure of the coatings was investigated with grazing angle XRD (GAXRD). Mechanical properties of these multilayers were thoroughly studied using a nanoindentation and ball-on-disk micro-tribometer. It was found that the multilayer hardness and reduced modulus showed no strong dependence on the AlN layer thickness. Al2.9 nm/AlN1.13 nm multilayer had more excellent tribological properties than single layers and other proportion multilayers with a lowest friction coefficient of 0.15. And the tribological properties of all the multilayers are superior to the AlN single layer.     

Molecular dynamic simulations of nanoindentation in aluminum thin film on silicon substrate

In the present work, the nanoindentation of aluminum thin film on silicon substrate is investigated by three-dimensional molecular dynamic (MD) simulation. The film/substrate system is modeled by taking Lennard-Jones (LJ) potential to describe the interaction at the film-substrate interface. Different loading rate from 50 to 250 m/s is carried out in the simulation. The results showed that the hardness of the film increased with the loading rate. In order to study the effect of substrate on the mechanical properties of thin film, nanoindentation process on monolithic Al material is also simulated. The simulation results revealed that indentation pile-up in the aluminum film is significantly enhanced by the substrate. The substrate also affects the loading force during the nanoindentation. At the beginning of the indentation, the loading force is not affected by the substrate. Then, it is getting smaller caused by the interface. As the film is penetrated, the loading force increased rapidly caused by the hard substrate. These results were coincident with the previous reported experiments.     

考虑相界效应的Ni基单晶合金纳米压痕模拟

利用分子动力学方法分别模拟金刚石压头压入Ni模型和Ni基单晶合金γ/γ′模型的纳米压痕过程,通过计算得到两种模型[001]晶向的弹性模量及硬度.采用中心对称参数分析不同压入深度时两种模型内部位错形核、长大过程以及Ni基单晶合金γ/γ′(001)相界面错配位错对纳米压痕过程的影响.结果显示:压入深度0.641 nm之前,两种模型的压入载荷-压入深度曲线相似,说明此时相界面处的错配位错对纳米压痕过程的影响很小;压入深度0.995 nm时,在错配位错处发生位错形核,晶体在γ相中沿着{111}面滑移,随即导致Ni基单晶合金γ/γ′模型压入载荷的下降,并在压入深度达到1.487 nm之前低于Ni模型相同压入深度时的压入载荷;压入深度从1.307 nm开始,由于相界面错配位错的阻碍作用,Ni基单晶合金γ/γ′模型压入载荷上升速度较快.     

Experimental and numerical approach on interfacial properties of W/Al bilayer films for electronic devices manufacturing

The aim of this article is to provide a systematic method for performing experimental tests and theoretical evaluations on interfacial adhesion properties of the W/Al bilayer thin films interface. Samples W/Al bilayer thin films assembly is deposited on the quartz glass by using radio frequency magnetron sputtering. Based on the analysis of the experimental indentation data, the elastic modulus and hardness of the sample are investigated. The test results show that both of the values are easily influenced by the indentation depth. At the meantime, a finite element model is built to simulate the interface mechanical properties. The analysis shows that stress is mainly centralized close to the indenter and the maximum stress occurs in the lower layer Al film, not in the upper W film. The comparison between the experiment and the simulation shows the validity of the test and the modeling of each other to a certain extent. The investigation builds a basis for future work such as the fabrication of W/Al bilayer thin films for micro/nano manufacturing.     

Dynamic characteristics of nanoindentation in Ni:A molecular dynamics simulation study

In this work,three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviour of single crystal Ni.The substrate indenter system is modelled using hybrid interatomic potentials including the manybody potential(embedded atom method) and two-body Morse potential.The spherical indenter is chosen,and the simulation is performed for different loading rates from 10 m/s to 200 m/s.Results show that the maximum indentation load and hardness of the system increase with the increase of velocity.The effect of indenter size on the nanoindentation response is also analysed.It is found that the maximum indentation load is higher for the large indenter whereas the hardness is higher for the smaller indenter.Dynamic nanoindentation is carried out to investigate the behaviour of Ni substrate to multiple loading-unloading cycles.It is observed from the results that the increase in the number of loading unloading cycles reduces the maximum load and hardness of the Ni substrate.This is attributed to the decrease in recovery force due to defects and dislocations produced after each indentation cycle.     

非平衡磁控溅射制备类石墨碳膜及性能研究

利用中频非平衡磁控溅射技术在单晶硅基底上沉积了类石墨碳膜, 采用Raman光谱、高分辨透射电子显微镜、原子力显微镜分析了薄膜微观结构和表面形貌; 采用纳米压痕仪和CSM摩擦磨损试验机测试了碳膜力学性能和摩擦学性能. 结果表明: 利用中频非平衡磁控溅射技术沉积的碳膜是一种以sp²键合碳为主、结构非晶、硬度适中、应力较低、表面粗糙度较大、摩擦性能优异的薄膜. 脉冲占空比对薄膜微观结构和性能有显著影响, 随着脉冲占空比的增大, Raman光谱D峰和G峰的强度比I_D/I_G先减小后增大, 而硬度随脉冲占空比的增大却呈现出相反的变化趋势, 即先增大后减小; 大气氛围中的摩擦性能测试表明, 本实验制备的薄膜具有优异的抗磨性能(～10^-11 cm³/N^-1. m^-1)和承载能力(～2.5 GPa). 随脉冲占空比的增大, 薄膜摩擦系数变化甚微而磨损率却呈现先显著减小后轻微增大的变化趋势. 类石墨碳膜优异的摩擦学性能主要归因于其独特的结构、较低的内应力及良好的结构稳定性.     

基底材料对磁控共溅射Al-Cu-Fe薄膜特性的影响

 采用磁控共溅射工艺来制备Al-Cu-Fe薄膜,选用抛光状态的纯Al、纯Cu和不同粗糙度的不锈钢基作为基底材料。通过原子力显微镜分析薄膜的表面形貌,利用扫描电镜能谱仪分析薄膜的元素含量;通过MTS纳米力学综合测试系统分析薄膜的结合强度和摩擦因数。分析结果表明：不锈钢作为基底材料的薄膜与基体的结合强度最大,其次为纯铝和纯铜。纯铜基底薄膜的摩擦因数最大,达到0.17,其余两种薄膜的摩擦因数均不大于0.03。而薄膜表面形貌与基底材料的原始形貌有直接的联系,基底原始粗糙度越小,薄膜的表面组织也越细;基底原始粗糙度越大,薄膜表面形成的晶粒的团聚越明显。     

Finite-element analysis of the mechanical behavior of Au/Cu and Cu/Au multilayers on silicon substrate under nanoindentation

Finite-element analysis of the nanoindentation into Au/Cu and Cu/Au multilayers was performed to deduce their mechanical characteristics from nanoindentation response. Different bilayer thicknesses, numbers, and sequences were studied using the load–displacement curve, hardness, indentation, and the residual surface profile as well as the von Mises equivalent stress. The characteristics of the multilayers were found to be dispersed between the Au and Cu. Nevertheless, if the indentation depth is smaller than the uppermost individual layer thickness of the multilayers, the intrinsic properties can be obtained. Using the von Mises equivalent stress as a failure criterion, the results showed that thinner multilayers would induce a greater potential of shear banding deformation. PACS 61.43.Bn; 62.20.-x; 68.03.Hj; 68.05.Cf; 68.08.De     

Structure and properties of Ti-B-N,Ti-Cr-B-(N), and Cr-B-(N) coatings deposited by magnetron sputtering of targets prepared by self-propagating high-temperature synthesis

Transmission and scanning electron microscopy, x-ray phase analysis, x-ray photoelectron spectroscopy, and atomic-force microscopy were used to study the structure and surface topography of Ti-B-N, Ti-Cr-B-(N), and Cr-B-(N) thin films. Physical, mechanical, and tribological characteristics of coatings were comparatively analyzed, including determination of the hardness, elastic modulus, elastic recovery, critical load, friction coefficient, and wear rate. It was shown that Ti-B-N and Ti-Cr-B-N coatings are superior to conventional TiN-and Ti-C-N-based coatings in terms of their physicomechanical and tribological properties. Ti-B-N and Ti-Cr-B-N coatings deposited under optimum conditions were characterized, accordingly, by a hardness of 31–34 and 40–47 GPa, an average elastic modulus of 378 and 506 GPa, a friction coefficient of 0.49–0.60 and 0.45–0.52, a dry-wear rate of (3.4–4.6) × 10^?7 and (6.0–6.8) × 10^?7 mm³ N^?1 m^?1, and a largest critical load of 50 and 22 N. Features in the determination of the physicomechanical properties of films during nanoindentation and their wear properties are discussed.     

MD simulation of nanoindentation on (001) and (111) surfaces of Ag–Ni multilayers

We perform MD simulations of the nanoindentation on (001) and (111) surfaces of Ag–Ni multilayers with different modulation periods, and find that both the hardness and maximum force increase with the increase of modulation period, in agreement with the inverse Hall–Petch relation. A prismatic partial dislocation loop is observed in the Ni(111)/Ag(111) sample when the modulation period is relatively large. We also find that misfit dislocation network shows a square shape for the Ni(111)/Ag(111) interface, while a triangle shape for the Ni(001)/Ag(001) interface. The pyramidal defect zones are also observed in Ni(001)/Ag(001) sample, while the intersecting stacking faults are observed in Ni(111)/Ag(111) sample after dislocation traversing interface. The results offer insights into the nanoindentation behaviors in metallic multilayers, which should be important for clarifying strengthening mechanism in many other multilayers.     

Analysis of the substrate effects of strain-hardening thin films on silicon under nanoindentation

Mechanical properties of thin films on substrates can be evaluated directly through nanoindentation. For a comprehensive study, thin films should be characterized via Young’s modulus, yield stress and strain-hardening exponent at constant temperature. In this paper, we evaluate these effects of thin films on silicon substrate through finite element analysis. Thin films, from soft to hard relative to the silicon substrate, are investigated in three categories: soft films on hard substrates, soft to hard films on no elastic mismatch substrates, and hard films on soft substrates. In addition to examining the load-displacement curve, the normalized hardness versus normalized indentation depth is checked as well to characterize its substrate effect. We found that the intrinsic film hardness can be acquired with indentation depths of less than 12% and 20% of their film thickness for soft films on hard substrates and for soft to hard films on no elastic mismatch substrates, respectively. Nevertheless, nanoindentation of hard films on soft substrates cannot determine the intrinsic film hardness due to the fact that a soft substrate cannot support a hard film. By examining the von Mises stresses, we discovered a significant bending phenomenon in the hard film on the soft substrate. PACS 61.43.Bn; 62.20.-x; 68.03.Hj; 68.05.Cf; 68.08.De     

Structural and tribological properties of nitrogen doped amorphous carbon thin films synthesized by CFUBM sputtering method for protective coatings

Nitrogen doped amorphous carbon (a-C:N) films are a material that may successfully compete with DLC coatings, which have high hardness, high wear resistance, and a low friction coefficient. The a-C:N films were prepared on silicon substrate by a closed-field unbalanced magnetron sputtering method with a graphite target and using the Ar/N₂ mixture gases. And, we investigated the effects of various DC bias voltages from 0 to −300 V on the structural and tribological properties of the a-C:N films. This study was focused on improving physical properties of the a-C:N film by controlling process parameters like negative substrate DC bias voltage. The maximum hardness of the a-C:N film was 23 GPa, the friction coefficient was 0.08, and the critical load was 25 N on a Si wafer. Consequently, the structural and tribological properties of the a-C:N film showed a clear dependence on the energy of ions bombardment and the density of the sputtering and the reaction gases during film growth.     

Atomistic study of deposition process of Al thin film on Cu substrate

In this paper we report molecular dynamics based atomistic simulations of deposition process of Al atoms onto Cu substrate and following nanoindentation process on that nanostructured material. Effects of incident energy on the morphology of deposited thin film and mechanical property of this nanostructured material are emphasized. The results reveal that the morphology of growing film is layer-by-layer-like at incident energy of 0.1-10 eV. The epitaxy mode of film growth is observed at incident energy below 1 eV, but film-mixing mode commences when incident energy increase to 10 eV accompanying with increased disorder of film structure, which improves quality of deposited thin film. Following indentation studies indicate deposited thin films pose lower stiffness than single crystal Al due to considerable amount of defects existed in them, but Cu substrate is strengthened by the interface generated from lattice mismatch between deposited Al thin film and Cu substrate.     

Nanoindentation Experimental Approach and Numerical Simulation of Al/Cr Bilayer Films

The Al/Cr double-layer film structure samples (thickness, 1200 nm) were prepared by the magnetron sputtering method. To investigate the mechanical properties, the samples were measured by using a nanoindentation instrument. The test results showed the nonlinearity and different modes of the main mechanical properties by comparing the macro-scale structure samples with other samples of similar materials. Based on the test, the elastic modulus and hardness of thin film structures can be calculated by considering different loads to conduct multi-point indentations. Meanwhile, the relationships between the mechanical parameters can be investigated based on these Al/Cr double-layer film structure samples. To validate the test, numerical analysis was developed using a finite element method to simulate the loading and unloading process of indentation. The simulation results were compared with the results of experiments to illustrate the validity of both the test and simulation to a certain extent. The investigation builds not only an experimental basis for practical applications for future study, but also supplies a complementary means of verification for theoretical analysis.     

Effect of Chromium on Structure and Tribological Properties of Hydrogenated Cr/a-C:H Films Prepared via a Reactive Magnetron Sputtering System

Hydrogenated Cr-incorporated carbon films(Cr/a-C:H) are deposited successfully by using a dc reactive magnetron sputtering system.The structure and mechanical properties of the as-deposited Cr/a-C:H films are characterized systematically by field-emission scanning electron microscope,x-ray diffraction,Raman spectra,nanoindentation and scratch.It is shown that optimal Cr metal forms nanocrystalline carbide to improve the hardness,toughness and adhesion strength in the amorphous carbon matrix,which possesses relatively higher nano-hardness of 15.7GPa,elastic modulus of 126.8 GPa and best adhesion strength with critical load(L_c) of36 N for the Cr/a-C:H film deposited at CH_4 flow rate of 20 sccm.The friction and wear behaviors of as-deposited Cr/a-C:H films are evaluated under both the ambient air and deionized water conditions.The results reveal that it can achieve superior low friction and anti-wear performance for the Cr/a-C:H film deposited at CH_4 flow rate of 20 sccm under the ambient air condition,and the friction coefficient and wear rate tested in deionized water condition are relatively lower compared with those tested under the ambient air condition for each film.Superior combination of mechanical and tribological properties for the Cr/a-C:H film should be a good candidate for engineering applications.     

The microstructure, mechanical and friction properties of protective diamond like carbon films on magnesium alloy

Protective hard coatings deposited on magnesium alloys are believed to be effective for overcoming their poor wear properties. In this work, diamond-like carbon (DLC) films as hard protective films were deposited on AZ91 magnesium alloy by arc ion plating under negative pulse bias voltages ranging from 0 to −200 V. The microstructure, composition and mechanical properties of the DLC films were analyzed by scanning electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy and nanoindentation. The tribological behavior of uncoated and coated AZ91 magnesium alloy was investigated using a ball-on-disk tribotester. The results show that the negative pulse bias voltage used for film deposition has a significant effect on the sp³ carbon content and mechanical properties of the deposited DLC films. A maximum sp³ content of 33.3% was obtained at −100 V, resulting in a high hardness of 28.6 GPa and elastic modulus of 300.0 GPa. The DLC films showed very good adhesion to the AZ91 magnesium alloy with no observable cracks and delamination even during friction testing. Compared with the uncoated AZ91 magnesium alloy, the magnesium alloy coated with DLC films exhibits a low friction coefficient and a narrow, shallow wear track. The wear resistance and surface hardness of AZ91 magnesium alloy can be significantly improved by coating a layer of DLC protective film due to its high hardness and low friction coefficient.     

Evaluation of the substrate effect on indentation behavior of film/substrate system

A method to evaluate the substrate effect quantitatively in film indentation is proposed. For the thin film deposited on the substrate, the power function relationship is used to describe the loading curve of the film indentation behavior. The loading curve exponent of the power function which is the fitting parameter can reflect the substrate effect quantitatively. The finite element method is used to simulate the nanoindentation process of the film/substrate system. The loading curve exponent can be obtained from the simulation results. A substrate effect factor based on the loading curve exponent is defined to characterize the effect of the substrate on film indentation. Meanwhile, the dimensionless function of the loading curve exponent related with the material properties and indentation depth is obtained. The results can be helpful to the measurement of the mechanical properties of thin films by means of nanoindentation.     

Study on the Tribological Properties of Carbon Fabric/Polyimide Composites Filled with SiC Nanoparticles

Carbon fabric reinforced thermoplastic polyimide composites have significant applications in the field of tribology. However, there are relatively few studies that have been focused on the investigation of these materials. In the present study, carbon fabric/polyimide (CF/PI) composites, reinforced further with SiC nanoparticles, were prepared by dip-coating and hot press molding methods. Rockwell hardness and flexural testing of the composites were conducted. The friction and wear behavior of the resulting carbon fabric composites were evaluated in a ring-on-block contact mode under dry sliding condition. The results showed that the SiC nanoparticles significantly improved the hardness and flexural strength when compared to the CF/PI composites without the SiC additions. The CF/PI composites reinforced with 5 vol% SiC nanoparticles demonstrated the most beneficial mechanical and tribological properties compared to the composites with greater and lesser SiC nanoparticles. Scanning electron microscopy (SEM) and optical microscopy (OM) were employed in order to study the mechanism of tribological behavior. A continuous and thin transfer film formed during the friction test of the composites led to a significant improvement of the tribological properties.     

Molecular dynamics study of plastic deformation mechanism in Cu/Ag multilayers

The plastic deformation mechanism of Cu/Ag multilayers is investigated by molecular dynamics(MD) simulation in a nanoindentation process. The result shows that due to the interface barrier, the dislocations pile-up at the interface and then the plastic deformation of the Ag matrix occurs due to the nucleation and emission of dislocations from the interface and the dislocation propagation through the interface. In addition, it is found that the incipient plastic deformation of Cu/Ag multilayers is postponed, compared with that of bulk single-crystal Cu. The plastic deformation of Cu/Ag multilayers is affected by the lattice mismatch more than by the difference in stacking fault energy(SFE) between Cu and Ag. The dislocation pile-up at the interface is determined by the obstruction of the mismatch dislocation network and the attraction of the image force. Furthermore, this work provides a basis for further understanding and tailoring metal multilayers with good mechanical properties, which may facilitate the design and development of multilayer materials with low cost production strategies.