金属切削过程的三维数值仿真

近年来国内外对金属切削工艺的有限元模拟的研究已有较多的研究报道，但是这些研究大多局限于二维模型，在三维切削过程的数值模拟方面有待于进一步深入研究。在实际切削过程中，工件和刀刃都具有三维几何形状；它们的相对移动也不总是正交的；因此切削是在三维状态下形成的。利用动态显示积分有限元程序，建立率相关的热弹塑性模型模拟材料在高温区的热、力学行为；采用侵蚀接触算法描述刀具与工件以及刀具与切屑之间的相互作用；同时利用单元删除法实现切屑的分离与破坏，从而实现了金属块体切削过程的三维数值仿真。     

基于桥域理论的Cu单晶纳米切削跨尺度仿真研究

桥域方法是一种典型的跨尺度仿真研究方法.基于桥域理论,本文分析了原子和连续介质耦合区域的处理问题,即在耦合区采用不同的权重计算系统的能量,通过Lagrange乘子法对原子和连续介质位移进行约束.采用桥域方法,建立了单晶Cu米纳切削的跨尺度仿真模型,获得了单晶Cu纳米切削的材料变形机理.同时,研究了不同切削速度对纳米切削过程和原子受力分布的影响,仿真结果表明:随着切削速度的提高,切削区原子所受的力值增大,切屑变形系数减小,已加工表面变质层厚度增加.本文基于桥域理论,实现了Cu单晶纳米切削跨尺度的建模和仿真, 关键词： 桥域法 纳米切削 单晶Cu 切削速度     

某特殊脆性材料切削加工的数值模拟

切削加工是制造业中的关键技术之一。与一般金属塑性成形不同的是，切削加工是一个使被加工材料不断产生分离的过程。目前，有限元模拟切削过程主要分为两种形式：即更新的Lagrange形式和Euler形式。在实际模拟过程中，前者使用更为广泛。这种方式的有限元模拟需要有一定的分离准则使切屑从工件上产生分离。另外，在加工过程中，有的切屑可产生连续塑性变形，而有的切屑则会产生锯齿状断裂。所以还应该有相应的断裂准则来模拟切屑的断裂。     

单晶硅纳米切削中C–C键断裂对金刚石刀具磨损的影响

本文基于分子动力学方法模拟金刚石刀具纳米切削单晶硅, 从刀具的弹塑性变形、C–C键断裂对碳原子结构的影响以及金刚石刀具的石墨化磨损等方面对金刚石刀具的磨损进行分析, 采用配位数法和6元环法表征刀具上的磨损碳原子. 模拟结果表明: 在纳米切削过程中, 金刚石刀具表层C–C键的断裂使其两端碳原子由sp³杂化转变为sp²杂化, 同时, 表面上的杂化结构发生变化的碳原子与其第一近邻的sp²杂化碳原子所构成的区域发生平整, 由金刚石的立体网状结构转变为石墨的平面结构, 导致金刚石刀具发生磨损; 刀具表面低配位数碳原子的重构使其近邻区域产生扭曲变形, C–C键键能随之减弱, 在高温和高剪切应力的作用下, 极易发生断裂; 在切削刃的棱边上, 由于表面碳原子的配位严重不足, 断开较少的C–C键就可以使表面6 元环中碳原子的配位数都小于4, 导致金刚石刀具发生石墨化磨损.     

单点金刚石车削加工切削距离的计算

讨论了大型金属反射镜在金刚石车削中,金刚石刀具的磨损对加工精度的影响;详细介绍了超精密加工中几种典型零件形状单点金刚石车削加工的切削距离计算方法,经计算在加工直径为1000mm的圆盘工件时,当刀具的进给量为2μm/r,切削距离达到近400km。通过计算为加工大型光学元件刀具磨损规律的研究提供分析基础。     

光学工艺 光学加工工艺与设备

TQ171．683 2005053948 KDP晶体塑性域超精密切削加工过程仿真=Simulation of ultra-precision cutting process of KDP crystal in ductile mode[刊,中]／陈明君(哈尔滨工业大学精密工程研究所． 黑龙江,哈尔滨(150001)),王景贺…∥光电工程．-2005, 32(5)．-69-72 提出了压痕实验与有限元仿真结合的方法。它采用 压痕深度与有限元仿真深度进行对比,可求解出KDP晶 体的塑性特性参数。建立了KDP晶体塑性域切削的有限 元模型,仿真研究了切削参数对KDP晶体表面形成过程 的影响。结果表明,在刀具前角为-40°左右时,工件表面 质量可达到最佳值。研究还发现,当刀具刃口半径为80 nm时,其能够产生切屑的最小切削厚度在10～30 nm之 间,此时法向切削力与主切削力之比为0．96,该结论对 KDP晶体超光滑表面的获取有着重要指导意义。图6参 6(严寒)     

铁的冲击相变机制的分子动力学研究

 用分子动力学方法模拟计算了在冲击波加载条件下,单晶铁中的结构相变（由体心立方结构α相到六角密排结构ε相）,相互作用势采用铁的嵌入式原子势（EAM）,单晶铁样品的尺寸为28.7 nm×22.9 nm×22.9 nm,总原子数为1.28×10⁶个。通过推动一个运动活塞对静止靶的作用来产生冲击压缩,加载方向沿单晶铁的[100]晶向。通过对原子位置的追踪,揭示了铁的冲击相变机制,计算结果表明相变机制包括两步：首先是在{011}面上的原子受到沿〈100〉晶向的压缩,使{011}面转化成正六角形密排面;然后是在{011}面上原子沿〈0-11〉晶向的滑移,完成由bcc结构到hcp结构的相变。同时发现滑移面只出现在与冲击波加载方向平行的(011)和(0-11)面上。     

过渡族BCC金属晶格动力学的改进分析型EAM模型

应用改进分析型EAM多体势,运用晶格动力学理论,具体计算了7种过渡族bcc金属(Cr,Fe,W,Mo,Ta,V,Nb)的[100],[110]和[111]三个晶向声子谱和比热.将计算结果与实验值进行了比较,较Johnson势有很大提高;并从方向性键合角度对符合情况进行了分析.     

堆垛层错和温度对纳米多晶镁变形机理的影响

本文采用分子动力学模拟方法研究了在拉伸载荷下,堆垛层错和温度对纳米多晶镁力学性能的影响,在模拟中,采用嵌入原子势描述镁原子之间的相互作用．计算结果表明：在纳米晶粒中引入堆垛层错能明显增强纳米多晶镁的屈服应力,但堆垛层错对纳米多晶镁杨氏模量的影响很小;温度为300．0K时,孪晶在晶粒交界附近形成,孪晶随着拉伸应变的增加而逐渐生长．当拉伸应变达到0．087时,一种基面与X—Y面成大约35°角且内部包含堆垛层错的新晶粒成核并快速增长．也就是说,孪晶和新晶粒的形成和繁殖是含堆垛层错的纳米多晶镁在300．0K温度下的主要变形机理．模拟结果也显示,当温度为10．0K时,位错的成核和滑移是含堆垛层错的纳米多晶镁拉伸变形的主要形式．     

Al纳米线不同晶向力学行为和变形机制的模拟

采用分子动力学模拟计算方法,考察具有较高层错能的Al纳米线沿不同晶向的力学行为和变形机制。在相同计算条件下与具有较低层错能的Ni、Cu、Au和Ag等FCC金属纳米线进行比较。结果表明：在力学行为方面,Al纳米线的弹性模量呈现明显的结构各向异性,满足E_[111] > E_[110] > E_[100]的关系,这一关系在FCC金属纳米线中普遍成立;Al纳米线的屈服应力随晶向呈现σ_y[100] > σ_y[111] > σ_y[110]的关系,这一关系在具有较低层错能的FCC金属纳米线中不具有普遍性,这与体系中位错形成机制密切相关。根据拉伸变形过程微观结构的演变规律,阐明Al纳米线不同晶向的变形机制,并与具有较低层错能的Ni、Cu、Au和Ag等FCC金属纳米线的变形机制进行比较。结果表明,对于尺度较小的高层错能Al纳米线,Schmid因子和广义层错能均难以准确预测其变形机制。     

Molecular dynamics simulation of subsurface deformed layers in AFM-based nanometric cutting process

Three-dimensional molecular dynamics simulations of AFM-based nanometric cutting monocrystalline copper with pin tool radius of 0.713 nm are performed to investigate the effect of uncut chip thicknesses (0.1805 nm, 0.361 nm, 0.5415 nm, 0.722 nm, 0.9025 nm, 1.0875 nm, and 1.268 nm) on the depth of subsurface deformed layers. The EAM potential and Morse potential are utilized respectively to compute the interactions between workpiece atoms, the interactions between workpiece atoms and tool atoms. The single-atom potential energy variations of the workpiece atoms within the subsurface regions during the cutting process are obtained and analyzed through a deformation criterion to determine the deformation behaviors of subsurface atoms. The simulation results reveal that the depth of subsurface deformed layers is affected by the AFM pin tool's rake angle. At each uncut chip thickness, the AFM pin tool presents different negative rake angles, consequently different degrees of deformation in the subsurface take place.     

Quasicontinuum analysis of the effect of tool geometry on nanometric cutting of single crystal copper

A dynamic multiscale simulation based on quasicontinuum method (QC) has been conducted to study the effect of tool geometry in nanometric cutting process of single crystal copper. In the simulation, the many-body EAM potential is used for the interactions between copper atoms in of the workpiece. The simulation captures the atomistic behaviors of material removal mechanisms from the free surface and the mobility of dislocations and their interactions with the computational cost of local atomistic simulation method. Simulations are performed on single crystal copper to study the atomistic details of material removal, chip formation, sub-surface deformation, and machining mechanism. The simulation results demonstrate that tool edge radius has significant effect on chip formation and subsurface deformation, because the effective rake angle varies with the tool edge radius. In addition, different effective rake angles result in different stress states and smoother surface can be obtained under bigger clearance angle. The variations of tangential force, normal force as well as the ratio of normal force to tangential force are obtained to analyze the effects of tool edge radius, rake angle and clearance angle in quantitative way.     

Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

Irregular elliptical plasmonic rings for engineering near-field and phase

Metallic glasses find wide applications in nanotechnology and micro electro-mechanical systems because of their unique physical properties due to their amorphous structures. The material removal mechanism in nanometric cutting of Cu₅₀Zr₅₀, a typical metallic glass, is studied using molecular dynamics method. The chip formation, workpiece deformation and scratching forces under various scratching depths, scratching velocities and temperatures are investigated. The effect of void defect on the cutting behaviors of metallic glass is also explored. The results show that the material removal in nanometric cutting process is based on extrusion instead of shearing, achieving a good understanding of material removal at the nanoscale.     

Study of AFM-based nanometric cutting process using molecular dynamics

Three-dimensional molecular dynamics (MD) simulations are conducted to investigate the atomic force microscope (AFM)-based nanometric cutting process of copper using diamond tool. The effects of tool geometry, cutting depth, cutting velocity and bulk temperature are studied. It is found that the tool geometry has a significant effect on the cutting resistance. The friction coefficient (cutting resistance) on the nanoscale decreases with the increase of tool angle as predicted by the macroscale theory. However, the friction coefficients on the nanoscale are bigger than those on the macroscale. The simulation results show that a bigger cutting depth results in more material deformation and larger chip volume, thus leading to bigger cutting force and bigger normal force. It is also observed that a higher cutting velocity results in a larger chip volume in front of the tool and bigger cutting force and normal force. The chip volume in front of the tool increases while the cutting force and normal force decrease with the increase of bulk temperature.     

Evaluation of repeated single-point diamond turning on the deformation behavior of monocrystalline silicon via molecular dynamic simulations

A three-dimensional molecular dynamics simulation study is conducted to investigate repeated single-point turnings of a monocrystalline silicon specimen with diamond tools at nanometric scale. Morse potential energy function and Tersoff potential energy function are applied to model the silicon/diamond and silicon/silicon interactions, respectively. As repeated nano-cutting process on surfaces often involve the interactions between the consequent machining processes, repeated single-point diamond turnings are employed to investigate the phase transformation in the successive nano-cutting processes. The simulation results show that a layer of the damaged residual amorphous silicon remained beneath the surface after the first-time nano-cutting process. The amorphous phase silicon deforms and removes differently in the second nano-cutting process. By considering the coordination number (CN) of silicon atoms in the specimen, it is observed that there is an increase of atoms with six nearest neighbors during the second nano-cutting process. It suggests that the recovery of the crystalline phase from the amorphous phase occurred. Moreover, the instantaneous temperature distributions in the specimen are analyzed. Although the tangential force (F _X ) and the thrust force (F _Y ) become much smaller in the second cutting process, the material resistance rate is larger than the first cutting process. The larger resistance also induces the increase of local temperature between the cutting tool and the amorphous layer in the second cutting process.     

单晶金刚石刀具后刀面沟槽磨损的石墨化生成过程分析

单晶金刚石刀具切削单晶硅时后刀面会发生剧烈沟槽磨损,严重影响零件加工质量和刀具寿命。为了从金刚石石墨化转变角度揭示沟槽磨损生长扩展机制,建立了金刚石刀具后刀面具有初始沟槽的分子动力学模型,模拟了切削单晶硅时初始沟槽处的工件材料流动行为与金刚石刀具晶体结构变化情况。结果表明,初始沟槽的存在改变了工件材料的流动状态;并且这种材料流动引起了刀具初始沟槽附近温度和能量的变化,温度升高了8%,势能提高了1.4%;通过分析金刚石刀具晶体结构发现,初始沟槽处的刀具材料发生了石墨化转变,并通过计算采样点处原子间键角,得到了石墨化转化率随着切削的进行不断升高,并最终趋于恒定的规律,当切削进入到稳定切削阶段时,石墨化转化率约为6%。     

Monte Carlo simulation of nanometric cutting

Nanometric cutting of single-crystal materials at conventional cutting speeds (5?m?s^?1) is simulated for the first time using a new Monte Carlo method that is applicable to systems that are neither canonical nor microcanonical. This is accomplished by defining a local temperature in the cutting zone using the thermal analysis developed by Komanduri and Hou for conventional machining. Extension of this method to the nanometric regime permits an accurate estimate of the local temperature in cutting. This temperature is then employed in the Boltzmann probability distribution function that is used to determine the acceptance–rejection of Monte Carlo moves in the simulation. Since cutting speed is closely related to cutting temperature, the cutting speed enters the calculation via the thermal analysis equations. The method is applied to nanometric cutting of single-crystal aluminium with the crystal oriented in the (001) plane and cut in the [100] direction. Three positive rake cutting tools, namely 10°, 30° and 45°, are employed to investigate the effect of the rake angle on the forces, the specific energy and the nature of the chip formation. The method is evaluated by direct comparison with corresponding molecular dynamics simulations conducted under the same conditions.