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     

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.     

AFM针尖纳米切削晶向和切削方向影响的分子动力学

"建立了AFM针尖切削单晶铜的三维分子动力学模型,研究了工件材料不同晶向和刀具切削方向对切削过程中工件材料变形的影响．采用EAM势计算工件原子之间的作用,采用Morse势计算刀具原子之间的作用．模拟结果表明工件材料晶向和切削方向对纳米切削过程有显著影响．沿[110]方向切削比[100]方向切削产生的切屑结合更紧密,切削工件材料(110)晶向比切削工件材料(100)晶向产生的切屑体积更小,工件材料变形区域更小．研究了工件材料晶向和切削方向组合的不同纳米切削过程中系统势能变化情况．"     

Evaluation of the tool life and fracture toughness of cutting tools boronized by the paste boriding process

The present study evaluates the tool life and the fracture toughness of AISI M2 steel cutting tools boronized by the paste boriding process. The treatment was done in selective form on the tool tips of the steels. The temperatures were set at 1173 and 1273 K with 4 h of exposure time and modifying the boron carbide paste thicknesses in 3 and 4 mm. Microindentation fracture toughness method was used on the borided tool at the temperature of 1273 K and a 4 mm paste thickness, with a 100 g load at different distances from the surface. Also, the borided cutting tools were worn by the turning process that implied the machining of AISI 1018 steel increasing the nominal cutting speed, of 55 m/min, in 10 and 25% and maintaining the feed and the depth cut constants. The tool life was evaluated by the Taylor's equation that shows the dependence of the experimental parameters of the boriding process.     

On the crystal geometry influence on the growth of fast-growing surfaces

The external morphology of a given crystal is determined by the growth conditions, growth time and geometry of the crystal. Up to now, it has been believed that the growth conditions which influence the relative growth rates of surfaces play the key role in the formation of the final crystal morphology. In this paper, it is shown that the geometry of a given crystal, expressed by the trigonometric function of appropriate interfacial angles, may influence to a great degree the crystallisation process and the morphology of crystals. For example, it is shown that at particular geometry of a crystal, a given surface may exist in the habit and develop its size although it grows much faster than the neighbouring surfaces.     

保护气对切割弧特性影响的模拟研究

通过比较两种不同结构切割炬所产生的等离子体流场,发现保护气对等离子体的温度和速度分布影响很小.垂直保护气在切割炬喷口形成阻碍作用,造成切割炬内的压强有所升高,但是增加不大.两种结构保护气对切割弧的影响只是在炬喷口外的激波附近.加入保护气后激波的强度会减弱.相对于没有保护气的情况,保护气增加冷却作用,弧电压会略有升高.当改变保护气的成分时,发现弧柱区的氧气含量不受影响,所以保护气成分的改变不会影响到弧电压.计算发现轴线处氧气和周围气体的混合很少,在喷口下游10mm处,氧气的摩尔分数仍在90%以上. 关键词： 等离子体切割弧 保护气 数值模拟     

Impact of the cell geometry on the spectral properties of photonic crystal structures

Photonic-crystal-based devices are expected to perform many of the functionalities of standard integrated optics devices used in optical communication systems. Their reliability and the reliability of fabrication technologies in achieving acceptable geometrical tolerance are still to be demonstrated. In this work an analysis of the effects of the cell geometry is presented, showing how small variations can cause hundreds of GHz shifts in the spectral response. A wide-band, finite-element time-domain approach and a frequency-domain formulation have been used for this kind of analysis. The ability of the finite-element method in coping with any kind of geometry has been successfully exploited to investigate the effect of the cell shape. Received: 16 May 2001 / Revised version: 8 August 2001 / Published online: 30 October 2001     

The effect of solvent quality on thickening of single chain single crystal studied by Monte Carlo simulations

We reported dynamical Monte Carlo simulations to study the effect of solvent quality on crystallization and the subsequent isothermal thickening of a single homopolymer chain. The results showed that prior coil-globule transition could enhance nucleation and crystallization of the single chain. The solvent quality decided by the contacts between solvents and chain monomers resulted in different crystallizing and thickening behaviors. Typically further fold-length of an isolated chain extended easily in good solution. Otherwise the thickening mechanism was hard to develop in poor solution due to the confinement of liquid-solid interfaces.     

Influence of copper crystal surface on the CVD growth of large area monolayer graphene

We study the influence of the surface structure of copper single crystals on the growth of large area monolayer graphene by chemical vapor deposition (CVD) in ultra-high vacuum (UHV). Using atomic-resolution scanning tunneling microscopy (STM), we find that graphene grows primarily in registry with the underlying copper lattice for both Cu(111) and Cu(100). The graphene has a hexagonal superstructure on Cu(111) with a significant electronic component,whereas it has a linear superstructure on Cu(100). Graphene on Cu(111) forms a microscopically uniform sheet, the quality of which is determined by the presence of grain boundaries where graphene grains with different orientations meet. Graphene grown on Cu(100) under similar conditions does not form a uniform sheet and instead displays exposed nanoscale edges. Our results indicate the importance of the copper crystal structure on the microstructure of graphene films produced by CVD.     

High-frequency response and wavelength dispersion of the linear electro-optic effect in PZN-PT (88/12) single crystal

We have characterized the wavelength dispersion of the high- and low-frequency values of the linear electro-optic coefficient r _c = r ₃₃–(n _o/n _e)³ r ₁₃ of poled 0.88 Pb(Zn_1/3Nb_2/3)O₃–0.12 PbTiO₃ single crystal. The measurements have been investigated as a function of the laser wavelength from 0.465 to 1.32 m. Clamped r ^S and unclamped r ^T values of the electro-optic coefficient as well as the acoustic contribution r ^a have been established. We obtained a ratio of r ^S/r ^T = 30%, which is independent of the wavelength of the light beam. The value of r ^S _c at the wavelength of 633 nm was found to be equal to 50±5 pm/V, which is a rather high value.This revised version was published online in March 2005. In the previous version, the published online date was missing     

一个单滑移取向铜单晶体疲劳位错结构的热稳定性研究

利用扫描电镜电子通道衬度(SEM-ECC)技术观察研究了[4 18 41]单滑移取向铜单晶体在不同塑性应变幅下的疲劳饱和位错结构及其在不同温度等时退火条件下的热稳定性. 结果表明, 在退火温度为300 °C时, 疲劳位错结构(如脉络结构、驻留滑移带PSB楼梯结构、PSB胞结构和迷宫结构等)均发生了明显回复. 当退火温度高于500 °C, 上述这些疲劳位错结构基本消失, 均发生了明显的再结晶现象, 并大都伴随有退火孪晶的形成. 分析认为, 再结晶的发生和退火孪晶的出现不仅与退火温度和外加塑性应变幅有关, 还与累积循环塑性应变量有着密切的关系.     

The analysis on the single particle model of CDW

Grüner put forward a single particle model of charge-density wave, which is a typical nonlinear differential equation, and also a mathematical model of pendulum. This Letter analyzes the solution of equation by the rotated vector fields theory, providing the relation between the applied field E and the periodic solution, and the conclusion that the critical value of E for the periodic solution is fixed in the over-damped situation. With these conclusions, it derives the formulae of nonlinear conductivity, narrow-band noise, which are consistent with the empirical ones given by Fleming.     

The effect of construction material, contents and room geometry on the sound field in dwellings at low frequencies

An experimentally validated finite element method is used to model the sound level in rooms at low frequencies. It is demonstrated that the dimensions of rectangular rooms strongly influence the sound pressure level difference. Additional factors were investigated which are not normally considered in the frequency range where diffuse sound field conditions can be assumed. Three effects were investigated: room damping due to wall vibrations, furniture, the effect of small deviations from simple rectangular shapes. It is confirmed by field measurements that the vibrations of masonry walls and floors introduce less damping than surfaces of lightweight construction. Assigning to the FE model a damping equivalent to a surface absorption of 0.02 reproduces the effect of walls of heavyweight construction. Damping equivalent to a surface absorption of 0.15 reproduces the effects of plastered timber-frame walls, floors and ceilings. The work was briefly extended to a room pair built with heavyweight and lightweight material of construction. The modification of the shape of the room frequency response highlights well the effect of material of construction. In-situ and laboratory measurements show that furniture has little effect on steady-state room response below 100 Hz. Modelling a wall recess smaller than 0.5 m improved the agreement between prediction and measurements but the assumption of a simple rectangular room remains appropriate.     

Disorders influences on the focusing effect of all-dielectric photonic crystal slab superlens

The influences of structure disorders on the subwavelength focusing properties of an all-dielectric photonic crystal slab superlens are theoretically studied. The structure disorders are considered as randomly perturbing the position or diameter of air holes of the photonic crystal slab. The results show that the photonic crystal slab superlens can tolerate within 10% degree of positional disorder or 15% degree of diameter disorder without destroying the focusing function.     

Temperature effect on the diffraction efficiency of the liquid crystal spatial light modulator

Temperature effect on the diffraction efficiency of the liquid crystal spatial light modulator is investigated. The birefringence of the liquid crystal as functions of the temperature is measured with and without the power supply. It is shown that the birefringence reduces while the temperature increases. And the change magnitude of the birefringence has an exponential decay relation with the applied voltage for different temperature intervals. The scalar diffractive theory is used to analyze this effect on the diffraction efficiency. It indicates that the diffraction efficiency decreases from 98.7% to 27.2% while the temperature increases from 10 to 90 °C for 16 quantified levels. At last, temperature effect on its applications in optical testing and wavefront correction is discussed. It indicates that it has almost no effect on optical testing, but has an important effect on wavefront correction. And two solutions are given to eliminate this effect.     

Nanoindentation analysis of the pop-in events on SiGe single layer

The growth of metastable silicon germanium (Si_0.8Ge_0.2) thin film on Si(1 0 0) by ultrahigh-vacuum chemical vapor deposition has been subjected to residual indentation studies. A nanoindentation system has been applied to analyze SiGe film after different annealing treatments. A number of phenomena have been found for the heteroepitaxial growth of SiGe film at the critical thickness of 350 nm, including single discontinuity (the so-called “pop-in” event) as well as the elastic/plastic contact translation. Atomic force microscopy is employed to investigate the surface impression. Pop-in events in the load-indentation depth curves of 400 and 500 °C and no nano-cracks in the vicinity regions are found. The values of H ranging from 13.13±0.9, 21.66±1.3, 18.52±1.1, 14.47±0.7 GPa and the values of E ranging from 221.8±5.3, 230.7±6.4, 223.5±4.6, 156.7±3.8 GPa, are obtained. The elastic/plastic contact translation of the SiGe film occurs at different annealing conditions, with h_f/h_max values in the range of 0.501, 0.392, 0.424, and 0.535 for samples are treated at RT, 400, 500, and 600 °C, respectively. The mechanism responsible for the pop-in event in such crystal structure is due to the interaction of the indenter tip with the pre-existing threading dislocations, since the release of the indentation load is bound to be reflected in the directly compressed volume.     

Numerical analysis of a temperature sensor based on the photonic band gap effect in a photonic crystal fiber

In this paper we investigate, by the plane wave expansion method and an analytical model, the temperature effect on the photonic band gap fiber, and we report on a numerical demonstration of a temperature sensor based on the photonic band gap (PBG) shift in a solid core photonic crystal fiber (PCF) infiltrated with a high refractive index oil. The bandwidth and the position of the central wavelength of the band gap are the parameters of interests for our temperature sensing purpose. Simulation results were found to be in excellent agreement with the refractive index scaling law and the highest sensitivity of 3.21?nm/°C was achieved, and it will be even higher than the grating based sensors written in PCFs with similar structure.     

The effect of size on the strength of FCC metals at elevated temperatures: annealed copper

As the length scale of sample dimensions is reduced to the micron and sub-micron scales, the strength of various materials has been observed to increase with decreasing size, a fact commonly referred to as the ‘sample size effect’. In this work, the influence of temperature on the sample size effect in copper is investigated using in situ microcompression testing at 25, 200 and 400 °C in the SEM on vacuum-annealed copper structures, and the resulting deformed structures were analysed using X-ray μLaue diffraction and scanning electron microscopy. For pillars with sizes between 0.4 and 4 μm, the size effect was measured to be constant with temperature, within the measurement precision, up to half of the melting point of copper. It is expected that the size effect will remain constant with temperature until diffusion-controlled dislocation motion becomes significant at higher temperatures and/or lower strain rates. Furthermore, the annealing treatment of the copper micropillars produced structures which yielded at stresses three times greater than their un-annealed, FIB-machined counterparts.     

基于有限元法分析宝石级金刚石的合成腔体温度场

以有限元法为理论分析手段模拟分析了温度梯度法合成宝石级金刚石大单晶的腔体温度场,实现了对宝石级金刚石的合成腔体内各位置温度同时测量.模拟结果表明:在宝石级金刚石合成过程中,其温度分布呈不均匀分布.腔体内高温区分布在样品(碳源+触媒)边缘,低温区分布在籽晶附近.样品腔内热量的传递方式和样品腔内的碳源输运方式相同,均由碳源的两侧向籽晶附近传输.籽晶附近轴向温度梯度大于径向温度梯度,导致单位时间内其轴向生长尺寸大于径向生长尺寸.宝石级金刚石腔体温度场分析的理论模型的成功构建,为新型宝石级金刚石腔体的研制提供了良好的设计基础,对促进优质宝石级金刚石的生长技术具有指导意义.