固体薄膜/液体膜/基底层状结构中液体膜/基底界面不平整性对结构稳定性影响

考虑液体层较薄的情况下液体膜/基底间界面不平整对结构的稳定性,特别是固体薄膜稳定时的褶皱变形产生的影响。用一扰动函数模拟液体膜/基底间界面的不平整,计算固体膜受力变形前后结构能量的变化,进而分析其稳定性。取两个扰动函数的特例,具体分析了液体膜/基底间界面不平整对结构能量变化以及对结构平衡态的影响。结果表明,平衡时固体膜褶皱变形与原来假设液体膜/基底间界面为理想平整面所得的结果有很大不同。     

弯曲衬底上应变异质外延薄膜形态失稳的相场模拟

本文旨在研究弯曲衬底上应变异质外延薄膜的表面非线性演化行为,研究采用了基于Eshelby等效方法的相场微弹性模型来模拟二维应变 薄膜/衬底系统的形态失稳。建立了关于等效特征应变和长程序参量的自由能泛函,数值求解了时间相关的Ginzburg-Landau动力学方程。系统自由能包括化学能,弹性应变能以及薄膜、衬底与真空相两两之界面能。跟踪了全时的形态演化过程,给出了指定时刻的量子点形态轮廓图。结果表明,量子点倾向于沉积在弯曲衬底的波谷处,波谷处是能量有利位置,量子点在此处比在波峰处更加稳定。本文所做的相场模拟可以用来预测量子点形成的轮廓、尺寸和位置,可以为控制和生成周期性自组装表面纳米结构提供理论指导。     

Analytical study of wrinkling in thin-film-on-elastomer system with finite substrate thickness

Surface wrinkling, a film bonded on a pre-strained elastomeric substrate can form periodic wrinkling patterns, is a common phenomenon in daily life. In existing theoretical models, the film is much thinner than the substrate so that the substrate can be considered to be elastomeric with infinite thickness. In this paper, the effect of finite substrate thickness is analyzed theoretically for free boundary condition cases. Based on the minimum potential energy principle, a theoretical model is established, and the wave length and amplitude of the wrinkling pattern are obtained. When the thickness of the substrate is more than 200 times larger than the thickness of the film, the results of this study agree well with the results obtained from the previous models for infinite substrate thickness. However, for thin substrates, the effect of finite substrate thickness becomes significant. The model given in this paper accurately describes the effect of finite substrate thickness, providing important design guidelines for future thin-film-on-substrate systems such as stretchable electronic devices.     

Stress-driven interfacial instability of a bilayer structure: The interaction between free surface and interface

The morphological evolution of strained films is of technological importance to microelectronics and nanotechnology. The morphological instability of a bilayer system is analyzed, consisting of an elastic film and an elastic substrate with a misfit strain on the coherent interface. A kinetic model is derived by considering the morphological fluctuations of different perturbation amplitudes along both the free surface and the interface and the coupling effect between the film and the substrate. The couplings include the misfit strain, surface/interface energy, and surface/interface diffusion, which determine the morphological instability of the system. A quadratic dispersion relationship is established for the growth rate of the longitudinal surface and interfacial perturbations along the free surface and the interface, respectively. The propagation of the surface perturbations is revealed from the free surface to the interface, and the characteristic frequencies are identified for the initiation of the morphological instability.     

Strain Relaxation in an Alloy Film with a Rough Free Surface

We study strain relief by surface roughness and composition variation in a stressed alloy film. Instead of using common perturbation techniques, we derive a rigorous relaxation formula based on the energy approach in the case of slightly undulating surface and fluctuating composition. We do not require any a priori assumption of elastic isotropy or identical material properties between film and substrate in deriving our result. We show that the change of elastic energy is negative, giving rise to energy relief due to the presence of free surface. We apply our result to the study of compositional and morphological instabilities of a stressed thin layer with a free surface. The critical wave number of instability is determined by the competition between the destabilizing influence of elastic strain energy and the stabilizing influence of chemical and surface energies.     

测量界面软铬层力学性质的纳米压入法

为了测量双层铬的界面软铬层力学性质,提出了化学腐蚀基体法,通过溶解掉基体制备没有基体支撑的自由铬层,将在横截面内线状显示的界面转化为界面表面(铬层与基体相连接的面),避免了横截面不能显示界面表面的缺点。对界面表面进行纳米压入实验和借助于表征薄膜力学性质的表面压入能量法,测得了描述界面软铬层力学性质的弹性模量和压入弹、塑性功等参数。     

微纳米尺度膜/基结构界面性能的实验研究

为了研究铜膜/有机玻璃结构的界面性能,首先对沉积在有机玻璃基底上300nm厚的铜膜进行了单轴压缩实验,部分区域的薄膜因屈曲而脱离基底。选择在膜/基粘接良好区域、膜/基脱粘区域分别进行等位移纳米压痕实验。利用膜/基粘接良好区域处硬度/弹性模量与压痕位移的关系来确定膜/基结构的临界脱粘位移。基于宏观力学中表征界面性能的能量法,利用两个区域等位移的塑性功差值来确定界面能量释放率。研究结果表明:当压痕位移约450nm时,膜/基结构开始出现界面脱粘,实验测得铜膜/有机玻璃结构的界面能量释放率值在6.81~10.32J/m2之间。     

Characterization of the fracture work for ductile film undergoing the micro-scratch

The interface adhesion strength (or interface toughness) of a thin film/substrate system is often assessed by the micro-scratch test. For a brittle film material, the interface adhesion strength is easily obtained through measuring the scratch driving forces. However, to measure the interface adhesion strength (or interface toughness) for a metal thin film material (the ductile material) by the micro-scratch test is very difficult, because intense plastic deformation is involved and the problem is a three-dimensional elastic-plastic one. In the present research, using a double-cohesive zone model, the failure characteristics of the thin film/substrate system can be described and further simulated. For a steady-state scratching process, a three-dimensional elastic-plastic finite element method based on the double cohesive zone model is developed and adopted, and the steady-state fracture work of the total system is calculated. The parameter relations between the horizontal driving forces (or energy release rate of the scratching process) and the separation strength of thin film/substrate interface, and the material shear strength, as well as the material parameters are developed. Furthermore, a scratch experiment for the Al/Si film/substrate system is carried out and the failure mechanisms are explored. Finally, the prediction results are applied to a scratch experiment for the Pt/NiO material system given in the literature. The project supported by the National Natural Science Foundation of China (19891180 and 19925211) and Bai Ren Plan of CAS     

超弹性薄膜与可压缩基底双层结构表面失稳分析

当上层超弹性硬质薄膜和下层可膨胀基底构成的双层结构受压时,薄膜的自由表面可通过形成褶皱降低系统能量.研究表明,上下两层的模量比不同时,上层弹性硬质薄膜将表现出不同的表面失稳模式.本文提出了一种新颖的方法可有效抑制双层软材料的表面失稳,即改变基底材料的泊松比,这种方法同时适用于不具有应变硬化的软材料.首先基于Neo-Hookean模型发展了小变形条件下双层结构表面失稳的理论模型,通过半解析的方法得到了表面失稳的临界应变;然后通过有限元计算与模拟,进一步验证了负泊松比基底可延缓表面失稳.结果表明:(1)当双层结构基底泊松比为正且趋于0.5(不可压缩)时,双层结构在较小的压缩应变下出现表面失稳;(2)当基底的泊松比为负且趋于-1时,可被压缩至46%而不出现表面失稳,即可膨胀基底能有效抑制薄膜的表面失稳.本文发展的方法及主要结果可为延展性电子器件的设计提供指导.     

Peeling experiments of ductile thin films along ceramic substrates – Critical assessment of analytical models

Two types of peeling experiments are performed in the present research. One is for the Al film/Al₂O₃ substrate system with an adhesive layer between the film and the substrate. The other one is for the Cu film/Al₂O₃ substrate system without adhesive layer between the film and the substrate, and the Cu films are electroplated onto the Al₂O₃ substrates. For the case with adhesive layer, two kinds of adhesives are selected, which are all the mixtures of epoxy and polyimide with mass ratios 1:1.5 and 1:1, respectively. The relationships between energy release rate, the film thickness and the adhesive layer thickness are measured during the steady-state peeling process. The effects of the adhesive layer on the energy release rate are analyzed. Using the experimental results, several analytical criteria for the steady-state peeling based on the bending model and on the two-dimensional finite element analysis model are critically assessed. Through assessment of analytical models, we find that the cohesive zone criterion based on the beam bend model is suitable for a weak interface strength case and it describes a macroscale fracture process zone case, while the two-dimensional finite element model is effective to both the strong interface and weak interface, and it describes a small-scale fracture process zone case.     

The role of the configurational force balance in the nonequilibrium epitaxy of films

We discuss the epitaxial growth of an elastic film, allowing for stress and diffusion within the film surface as well as nonequilibrium interactions between the film and the vapor. Our approach, which relies on recent ideas concerning configurational forces, is based on: (i) standard (Newtonian) balance laws for forces and moments together with an independent balance law for configurational forces; (ii) atomic balances, one for each species of mobile atoms; (iii) a mechanical version of the second law that accounts for temporal changes in free energy, energy flows due to atomic transport, and power expended by both standard and configurational forces; (iv) thermodynamically consistent constitutive relations for the film surface and for the interaction between the surface and the vapor environment. The normal component of the configurational force balance at the surface represents a generalization, to a dynamical context involving dissipation, of a condition that would arise in equilibrium by considering variations of the total free energy with respect to the configuration of the film surface. Our final results consist of partial differential equations that govern the evolution of the film surface.     

Micron-scale channel formation by the release and bond-back of pre-stressed thin films: A finite element analysis

Buckling of thin films on a rigid substrate during use or fabrication is a well-known but unwanted phenomenon. However, this phenomenon can also be exploited to generate well-controlled patterns at the micro and nano-scale. These patterned surfaces find various technological applications such as optical gratings or micro/nano-fluidic channels. In this article, we present a numerical model that accounts for the buckling-up of pre-strained thin films by a reduction of the interface toughness and the subsequent bond-back. Channels are formed whose dimensions can be controlled by tuning the film dimensions, film thickness and stiffness, the eigenstrain in the film and the cohesive interface energy between the film and the substrate. We will show how the buckling-up and draping back processes can be captured in terms of a limited set of dimensionless parameters, providing quantitative insight on how these parameters should be tuned to generate a specified channel geometry.     

二甲基—γ—全氟辛酰氧丙基硅烷自组装膜的制备及其摩擦学性能研究

利用分子自组装技术 ,用含有全氟烷基的氯硅烷作为前驱体 ,在活化玻璃表面制备了二甲基 -γ-全氟辛酰氧丙基硅烷单分子膜 ;用 X射线光电子能谱仪对组装膜表面的几种特征元素及其化学环境进行了表征 ;采用接触角测定仪测定了蒸馏水在自组装薄膜表面的接触角 ,在动静摩擦磨损试验机上评价了薄膜同 GCr1 5钢球对摩时的摩擦磨损性能 .结果表明 :所制备的自组装膜的表面自由能很低 ,具有很好的疏水 -疏油性 ,其对水的接触角高达 1 1 0°;二甲基 -γ-全氟辛酰氧丙基硅烷组装膜可以降低基片的摩擦系数 ,而且在较低负荷下具有很好的耐磨性     

Emission of dimers from a free surface of heated water

The emission rate of water dimers from a free surface and a wetted solid surface in various cases was calculated by a simplified Monte Carlo method with the use of the binding energy of water molecules. The binding energy of water molecules obtained numerically assuming equilibrium between the free surface of water and vapor in the temperature range of 298–438 K corresponds to the coordination number for liquid water equal to 4.956 and is close to the reference value. The calculation results show that as the water temperature increases, the free surface of water and the wetted solid surface become sources of free water dimers. At a temperature of 438 K, the proportion of dimers in the total flow of water molecules on its surface reaches 1%. It is found that in the film boiling mode, the emission rate of dimers decreases with decreasing saturation vapor. Two mechanisms of the emission are described.     

Effect of elastic constants on crack channeling in a thin film bonded to an orthotropic substrate

A channeling crack confined in an orthotropic film bonded to an orthotropic substrate under a steady-state condition is investigated. The problem is formulated based on a modified Stroh formalism and an orthotropy rescaling technique, in order to determine the necessary material parameters required to describe the steady-state energy release rate. A closed form of the energy release rate is obtained with the exception of the normalized energy release rate for the transformed bimaterial structure that consists of the orthotropic film and isotropic substrate. The normalized energy release rates for the transformed problem are shown to depend on only four material parameters and are numerically calculated using finite element analyses. The periodic channels in the film layer of the bimaterial structure are also considered. The steady-state energy release rates for the periodic channeling cracks are obtained as a function of the ratio of the film thickness to the crack spacing for various combinations of the material parameters.     

Energetics of misfit dislocation dipoles in anisotropic epitaxial films with nanoscale compositional modulation

The elastic strain and stress fields associated with nanoscale compositional modulation in an anisotropic epitaxial film on an anisotropic substrate are obtained by using Stroh formalism and the Eshelby-type inclusion method. The composition of the epitaxial film is considered to periodically fluctuate in a surface soft mode, with the amplitude of the composition modulation maximal near the growing surface and decreasing exponentially into the film. It has been experimentally observed that the composition modulation affects the formation of a new type of crystal defects, i.e., misfit dislocation dipoles, in III–V compound semiconductor materials. The formation energy of a misfit dislocation dipole under the elastic fields due to the composition modulation is calculated in this study. It is composed of the core and self energies of two dislocations, the interaction energy between two dislocations, and the interaction energies between the composition modulation and two dislocations. Numerical calculations are performed for a dislocation dipole in a lattice-matched Ga_0.5In_0.5P film on a GaAs substrate.     

Compatible domain arrangements and poling ability in oriented ferroelectric films

The microstructure in single crystal ferroelectric films is significantly affected by the substrate conditions and the crystallographic orientation of the film. Domain arrangements form to minimize the total energy producing a stable state corresponding to the external boundary conditions. In order to find low energy domain arrangements, this study uses exact compatibility conditions for periodic laminate structures which ensure that all the adjacent domains fit together compatibly. These conditions are applied to films with various orientations and crystal systems, such as the rhombohedral and tetragonal crystal systems. A systematic search is used to discover exactly compatible structures for given states of macroscopic strain and polarization in the film. The theory is applied to [001], [011], and [111] oriented rhombohedral and tetragonal films. The results indicate poling paths along which the microstructure can evolve continuously while maintaining compatibility, to get from a state of zero through-thickness polarization to the state with the greatest value of through-thickness polarization. The evolution of the domain arrangement along these poling paths is shown, and the poling ability, or the limit on the maximum polarization achieved, is discussed. The influence of a strain state imposed by the substrate on the microstructure and poling ability is studied. The use of the model is illustrated by developing poling maps for a tetragonal [001] oriented film to show the set of polarization states that can be achieved as a function of the imposed substrate strain.     

Peeling behavior of a viscoelastic thin-film on a rigid substrate

In order to study the adhesion mechanism of a viscoelastic thin-film on a substrate, peeling experiment of a viscoelastic polyvinylchloride (PVC) thin-film on a rigid substrate (glass) is carried out. The effects of peeling rate, peeling angle, film thickness, surface roughness and the interfacial adhesive on the peel-off force are considered. It is found that both the viscoelastic properties of the film and the interfacial adhesive contribute to the rate-dependent peel-off force. For a fixed peeling rate, the peel-off force decreases with the increasing peeling angle. Increasing film thickness or substrate roughness leads to an increase of the peel-off force. Viscoelastic energy release rate in the present experiment can be further predicted by adopting a recently published theoretical model. It is shown that the energy release rate increases with the increase of peeling rates or peeling angles. The results in the present paper should be helpful for understanding the adhesion mechanism of a viscoelastic thin-film.     

磁场力及膜曲率对磁敏感薄膜-基底界面黏附性能的影响与调控

界面黏附和脱黏的可调控在攀爬装置、黏附开关、机械抓手等方面具有重要的应用需求. 针对磁敏感薄膜-基底界面, 开展了薄膜初始曲率及外加磁场对界面黏附性能影响机制的研究. 首先实验制备了具有初始曲率的磁敏感薄膜, 分别开展了具有初始曲率的磁敏感薄膜-基底界面撕脱实验及理论研究, 研究了薄膜初始曲率、弯曲刚度和外加磁场强度对界面黏附性能的影响规律. 实验和理论结果一致表明: 具有初始曲率的磁敏感薄膜-基底界面黏附力随薄膜初始曲率的增大而减小, 而外加磁场能够有效提高界面黏附力;相比于初始零曲率薄膜-基底界面稳态撕脱力与薄膜弯曲刚度无关, 薄膜弯曲刚度减弱了具有初始曲率薄膜-基底界面的稳态撕脱力. 进一步从能量角度分析了界面等效黏附性能, 揭示了薄膜弯曲能、磁场势能、界面黏附能的相互竞争机制. 最后, 基于本文的实验及理论结果, 提出了一种磁场和薄膜初始曲率协同调控的简易机械抓手, 可连续实现物体的拾取、搬运和释放功能. 本文结果不仅有助于理解多场调控的界面可逆黏附机制, 对界面黏附可控的功能器件设计亦提供了一种新方法.      

用能量法分析层状材料弹性接触问题

利用能量法分析了层状材料（薄膜／基体）弹性接触问题，得到了具有一阶精度的闭合解，给出了求解薄膜弹性模量和泊松比的表达式，并与有限元的数值解进行了比较。二者比较结果表明：在工程材料范围内，理论解与数值解相差在6％以内；同时表明单相材料中剪切模量与弹性模量之间的关系也适用层状材料中的薄膜材料。在数值解的基础上，讨论了薄膜厚度与压头半径的比值对求解精度的影响，发现此比值对精度影响不大。通过对层状材料等效泊松比与等效弹性模量的定义，给出了用压痕实验测定薄膜泊松比与弹性模量的方法。