Modeling and simulation of the probe tip based nanochannel scratching

This paper presents the theoretical modeling and numerical simulation of the probe tip based nanochannel scratching. According to the scratching depth, the probe tip is modeled as a spherical capped conical tip or a spherical capped regular three side pyramid tip to calculate the normal force needed for the nanochannel scratching. In order to further investigate the impact of scratching speed, scratching depth and scratching direction on the scratching process, the scratching simulation is implemented in LS-DYNA software, and a mesh-less method called smooth particle hydrodynamics (SPH) is used for the sample construction. Based on the theoretical and simulated analyses, the increase of the scratching speed, the scratching depth and the face angle will result in an increase in the normal force. At the same scratching depth, the normal forces of the spherical capped regular three side pyramid tip model are different in different scratching directions, which are in agreement with the theoretical calculations in the d₃ and d₄ directions. Moreover, the errors between the theoretical and simulated normal forces increase as the face angle increases.     

AFM变载荷刻划硅基底的分子动力学研究

基于改进的分子动力学模型,研究了原子力显微镜(AFM)探针在硅表面变载荷刻划的形变特性。利用结构辨认算法显示非晶层的形成,并建立切屑分布的定量评价指标。在此基础上考察刻划速度、针尖半径和探针锥角对刻划效果的影响。结果表明:(1)当刻划速度小于0.3 nm/ps或大于等于1.5 nm/ps时,基底表面的切屑较少,刻划速度对沟槽表面的影响不大;(2)当针尖半径小于等于1 nm时,探针会发生磨损,当针尖半径大于等于1.5 nm时,探针发生弹性形变,针尖半径为2~3.5 nm能达到最佳刻划效果;(3)较大的锥角有利于减少基底表面的切屑分布。     

Influence of anisotropy of nickel-based single crystal superalloy in atomic and close-to-atomic scale cutting

Nickel-based single crystal superalloy is widely used in the field of aerospace and nuclear reaction equipment due to its good properties. Ultra-precision machining technology is an important means to ensure the surface quality of parts. However, the anisotropy of materials has great influence on the evolution of surface and subsurface defects and the removal of materials in the process of machining. In this paper, The MD (molecular dynamics) modeling and simulation verification of cutting anisotropic nickel-based single crystal superalloy workpiece with silicon nitride tool is carried out by using the mixed potential function simulation. Through cutting simulation and visualization, the types, number, deformation area and dislocation evolution of the machined surface defects and inside of the workpiece defect of nickel-based single crystal superalloy with different crystal orientations are analyzed. The evolutionary mechanism of the machined surface defects and the law of material removal are discussed. The research content provides a theoretical basis for parameter optimization and improvement of machining quality in the atomic and close-to-atomic scale (ACS) cutting process, and technical support for efficient and precise machining process of the nickel-based superalloy.     

衍射光栅机械刻划成槽的预控试验

由于目前机械刻划衍射光栅加工仍依赖操作者经验,故存在成槽质量差、无法预控等问题.本文结合铝薄膜蒸镀工艺现状,采用X射线衍射法(XRD)、扫描电子显微镜法(SEM)及纳米压痕实验揭示不同薄膜样本的微观结构与力学属性,提出了制作衍射光栅的“薄膜分类试刻法”.研究结果表明,光栅刻划过程可近似等效为楔体下压过程,对“低弹性模量类”薄膜,可采用滑移线场进行解析求解并一次试刻成槽;对“弹塑性类”薄膜,可采用有限元模拟实验进行成槽预控.该方法可预先对薄膜甄别分类,用不同的计算方法确定不同种类薄膜的工装参数,进而刻划出近乎完美的槽形;同时减少了试验刻划耗时与浪费,提高了成槽质量与刻划效率;为刻划更加精密的光栅奠定了基础.     

Hydroforming of anisotropic aluminum tubes: Part II analysis

Part I presented an experimental investigation of hydroforming of Al-6260-T4 tubes and a simple two-dimensional model of the process. Relatively long, extruded circular tubes were formed against a square die with rounded corners, with simultaneous application of axial feeding. Localized wall thinning was reported to occur at mid-span which, accentuated by friction, led to burst. Part II presents fully 3D models of the process that include friction as well as more advanced constitutive models shown in previous studies to be essential for simulation of burst in free hydroforming of aluminum alloy tubes. The models are used to simulate several of the experiments of Part I, emphasizing the prediction of all aspects of the forming process, including wall thinning and its localization that lead to rupture. A shell element model is shown to capture the majority of the structural features of the process very successfully. However, even with the implementation of advanced constitutive models, it fails to reproduce correctly the localization of wall thinning. It is demonstrated that switching to solid elements coupled to non-quadratic yield functions results in accurate predictions of all aspects of the problem, including the onset of rupture. Apparently, slow growing depressions that develop at the interface between the flattened part of the cross section that is in contact with the die and the rounded part that is not, have a complex three dimensional stress state requiring accurate modeling offered by solid elements. Furthermore, the evolution of these depressions is only reproduced with accuracy when in addition non-quadratic yield functions are adopted.     

Surface and subsurface damages and magnetic recording pattern degradation induced by indentation and scratching

Magnetic recording pattern degradation due to head–disk impact and scratching are simulated by static indentation and scratch testing, respectively, on a pre-recorded thin film magnetic recording disk. Different magnitude of controlled stresses were used to induce stress and physical damage to the magnetic recording disk resulting in erasure and distortion of the magnetic recording pattern. Both nanoindentation and scratching resulted in the elastic–plastic deformation of the multilayer coating of the magnetic recording disk but in different relative magnitude and types of in-plane stresses (which are effective in causing magnetization changes). For residual indentation and scratch depths of the order of the magnetic disk coating thickness, magnetization changes in the recording pattern were observed even though the protective carbon overcoat was not damaged. Large magnetic pattern distortion and erasure results where cracks and pileups, and delamination and buckling damages were observed for deeper indentation marks and scratch grooves, respectively.     

Application of atomic-force microscopy when measuring microhardness of thin coatings by scratching

The method is proposed for determining the microhardness of thin coatings by scratching. Atomic force microscopy was applied to determine the scratch width and the optimal load on the indenter. Combined coatings 4 μm thick based on Ti, Cr, Mo₂N, and alloy ZrHf obtained by the combination of electric-arc evaporation and ion nitridizing were studied. The combined coatings are shown to have better micromechanical characteristics compared to the nitride coatings deposited by the electric-arc evaporation of these refractory metals and alloys.     

Fundamental study of ductile-regime diamond turning of single crystal gallium arsenide

Gallium arsenide (GaAs) components, ranging from the planar substrate to those possessing complicated shapes and microstructures, have attracted extensive interest regarding their applications in photovoltaic devices, photodetectors and emerging quantum devices. Single point diamond turning (SPDT) is regarded as an excellent candidate for an industrially viable mechanical machining process, as it can generate nano-smooth surfaces, even on some hard-to-machine brittle materials such as silicon and silicon carbide, with a single pass. However, the extremely low fracture toughness and strong anisotropic machinability of GaAs makes it difficult to obtain nano-smooth, crack-free machined surfaces. To bridge the current knowledge gaps in understanding the anisotropic machinability of GaAs, this paper studied the mechanical material properties of (001)-oriented GaAs through indentation tests, assuming the diagonals of the indenter acted in the similar way of the cutting edge of a diamond tool with a negative rake angle. The results showed that the (001) plane of the GaAs material displayed harder and more brittle when indented along direction I (one diagonal of indenter parallel to the <110> orientation) compared to direction II (one diagonal of indenter parallel to the <100> orientation), which coincides with anisotropic machined surface quality by SPDT. This finding reveals, for the first time, that the crystallographic orientation dependence of both hardness and fracture toughness represents the underlying mechanism for the anisotropic machinability of GaAs. The paper presents a novel approach to evaluate the critical depth of cut under a high cutting speed comparable to SPDT and to determine the maximum feed rate for ductile-regime diamond turning. The 26.57 nm critical depth of cut was obtained for the hardest cutting direction using a large negative rake angle diamond tool. Finally, a nano-smooth surface was successfully generated along all the orientations in ductile-regime diamond turning, in which the material removal mechanism is considered as plastic deformation caused by high-density dislocations. The subsurface layer remains to its single crystal structure and no cracks are found under a transmission electron microscope (TEM). The results proves the proposed evaluation approach for the critical depth of cut and the maximum allowed feed rate is highly effective for guiding the ductile-regime machining of brittle materials.     

Atomic-scale anisotropy of nanoscratch behavior of single crystal iron

In this paper a parallel molecular dynamics (MD) model has been developed to investigate the nanoscratch process of single crystal iron. The simulations were performed for two cases with different crystallographic orientations and scratch directions. In Case I the scratch plane is (1 0 0) and the scratch direction is [0 0 1]. In Case II the scratch plane and the scratch direction are (1,−1,2) and [1 1 1], respectively. To validate the MD simulation the nanoscratch testing was conducted using the TriboIndenter. The simulation results reveal that the vertical force and the lateral force tend to increase with the scratch displacement for both cases. Case I has smaller forces than Case II. However, the coefficient of friction for both cases is similar, which is in good agreement with the experimental value. The crystallographic orientation also affects the scratch hardness. The scratch hardness of Case I is smaller than that of Case II.     

Characterization of thin liquid films using molecular dynamics simulation

Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however, does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.     

铝合金半固态加工技术的现状与趋势

半固态加工是金属材料成形领域中的一种新工艺。本文分析了铝合金半固态成形技术的现状及发展趋向。     

Corrosion and wear of 6082 aluminum alloy

The corrosion and corrosive wear resistance of 6082 wrought aluminum alloy against 410 stainless steel counterface in 0.01 M NaCl solution with different concentrations of sodium molybdate dihydrate solution (0, 0.01, 0.1 and 0.5 M), were studied. The experimental results indicated that the increase in sodium molybdate dihydrate acted as an inhibitor in the 0.01 M NaCl solution resulting in a significant decrease in the corrosion current, meaning improved corrosion resistance. During the corrosive wear under free corrosion conditions of 6082 aluminum alloy specimens against 410 stainless steel counterface, the addition of sodium molybdate dihydrate inhibitor, leads to a decrease in friction coefficient of the examined pair of materials. The dominant wear mechanisms of the aluminum alloy were mainly observed to be plastic deformation and abrasion. These wear mechanisms coexisted with pitting corrosion phenomena, on the surface of this alloy.     

Molecular dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel

Molecular Dynamics (MD) simulations of uniaxial tension at nanolevel have been carried out at a constant rate of loading (500 ms⁻¹) on some single-crystal cubic metals, both FCC (Al, Cu, and Ni) and BCC (Fe, Cr, and W) to investigate the nature of deformation and fracture. Failure of the workmaterials due to void formation, their coalescence into nanocracks, and subsequent fracture or separation were observed similar to their behavior at macroscale. The engineering stress–strain diagrams obtained by the MD simulations of the tensile specimens of various materials show a rapid increase in stress up to a maximum followed by a gradual drop to zero when the specimen fails by ductile fracture. The radius of the neck is found to increase with an increase in the deformation of the specimen and to decrease as the ductility of the material decreases. In this investigation, the strain to fracture is observed to be lower with the BCC materials than FCC materials. In the case of BCC crystals, no distinct linear trend in the engineering stress–strain characteristics is observed. Instead, rapid fluctuations in the force values were observed. If the drop in the force curves can be attributed to the rearrangement of atoms to a new or modified crystalline structure, it appears that BCC materials undergo a significant change in their structure and subsequent realignment relative to the FCC materials, as previously reported in the literature. While good correlation is found between the D- and α-parameters of the Morse potential with the ultimate strength and the strain to failure for the FCC metals, no such correlation is found for the BCC metals. From this, it appears that Morse potentials may not represent the deformation behavior of BCC metals as accurately as FCC metals and alternate potentials may need to be considered.     

铝合金汽车覆盖件冲压成形回弹的仿真研究

简要介绍了用于冲压成形回弹的有限元基本理论,提出了复杂汽车覆盖件成形仿真的模式,并以汽车底座横梁外板为例,利用DYNAFORM软件,对其拉延、切边、冲孔和回弹的过程进行了仿真,通过仿真结果与实验结果的比较,证明了所得到的数值参数和仿真方法能获得比较可靠的仿真结果,对实际生产有一定的指导意义。     

Molecular dynamics simulation of the material removal mechanism in micro-EDM

Electrical discharge phenomena in EDM occur in a very short time period and in a very narrow space, thus making both observation and theoretical analysis extremely difficult. For this reason, the material removal mechanism in EDM has yet to be understood clearly. In this paper, the forming process of discharge craters in three dimensions was simulated, and material removal mechanism in EDM was analyzed using Molecular Dynamics (MD). It was found that material removal mechanism in EDM can be explained in two ways; one by vaporization and the other by the bubble explosion of superheated metals. It was also found that the metal removal efficiency is 0.02-0.05, leaving most of the melted pool resolidified. In addition, the influence of power density on the removal process was investigated, and the results showed that as the power density increases, the diameter and depth of the melted area increase, as does the metal removal efficiency. In this study, the forming mechanism of the bulge around discharge craters was also analyzed, and it was found that bulge is formed due to two mechanisms. The first is the shearing flow of the molten material caused by the extremely high pressure in the superheated material, and the second is the accumulation of the ejected material on the bulge formed by the first forming mechanism. It was also found that existence of micro pores in the workpiece material increases the depth of the discharge crater and melted area, thereby increasing the machining surface roughness. Simulation of the distribution of removed materials in the gap showed that some part of the removed material becomes debris ejected from the gap, while another part settles on the surface of the opposite electrode, and the last part returns to the surface of the electrode from which it was ejected.     

铝合金大扁锭半连续铸造温度场与应力场的三维有限元仿真分析

基于大型非线性有限元分析软件MARC,建立了半连续铸造三维热力耦合的物理模型和数学模型及半连铸过程复杂的边界条件和热接触条件;模拟现场工艺变化规律,对铝溶体在凝固成形过程中的温度场和应力场进行仿真;通过改变结晶器冷却水量(改变一冷区和二冷区的界面传热强度)及拉坯速度等工艺参数,利用该软件系统综合分析了工艺条件的改变对铝锭温度场和应力场的影响规律.仿真分析结果与现场观测结果相吻合.     

Deformation analysis of micro/nano indentation and diamond grinding on optical glasses

The previous research of precision grinding optical glasses with electrolytic in process dressing (ELID) technology mainly concentrated on the action of ELID and machining parameters when grinding,whic...     

Discussion of cyclic plasticity and viscoplasticity of single crystal nickel-based superalloy in large strain analysis: comparison of anisotropic macroscopic model and crystallographic model

The inelastic behavior of nickel-based superalloy is investigated in detail by application of a macroscopic anisotropic plasticity model developed here, and the results are compared to predictions based on crystal plasticity, which incorporates the kinematic hardening. Uniaxial deformation processes and simple shear deformations at large strain are considered. The plastic spin concept coupled with an anisotropic Chaboche model is provided in the framework of macroscopic viscoplasticity. The plastic spin formulation used here is based on the concept of the noncoaxiality between the stress and plastic rate of deformation. The present model succeeds in reproducing the inelastic behavior during large deformation. It is shown that the plastic spin associated with the anisotropic flow rule plays a key role in the macroscopic model. Simulation results find these two different scale models provide similar predictions under uniaxial deformation for [0 0 1] and [1 1 1] orientation, while their predictions for simple shear deformation at large strain exhibit quantitative difference, but their trends are the same. The interpretations for simulation results are pursued in detail.     

汽车动态稳定性仿真与试验研究

在分析和简化大客车基本结构和载荷分布的基础上,利用人体工效学和汽车系统动力学原理,分别建立了轮胎、悬架系统、乘客人体等模型,并最终建立起9自由度的客车动力学模型.同时,采用SX6120A型客车进行了实车试验.将仿真结果与试验数据进行对比,结果表明所建动力学模型是正确的.应用此模型,仿真分析了高速回避障碍物工况下客车操纵稳定性响应特性.