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1.
万强  田晓耕  沈亚鹏 《力学学报》2005,37(5):658-661
通过分子动力学方法(MDM), 采用镶嵌原子势法(EAM), 沿[111]方向插入两层(211)半原 子面形成位错,模拟了低温不同冲击载荷下和相同载荷不同温度下金属Mo中韧位错的动力 学特性. 结果表明:在低温冲击载荷下,Mo中的韧位错可以由静止加速到超过波速. 随着 载荷的增加,在位错运动的[111]方向将会出现3个波速;在相同载荷不同温度下,位错的 速度随着温度的升高而减小,即影响位错速度的拖动系数$B(T)$随温度升高而增大. 随着冲 击载荷的增大,拖动系数随温度的变化趋势减缓,即外加载荷对B(T)也有影响.  相似文献   

2.
采用分子动力学模拟的方法研究聚四氟乙烯(PTFE)和铁滑动模型在不同真空度下的摩擦学性能,从原子尺度揭示聚四氟乙烯在不同真空度下的摩擦磨损机理.模拟结果表明,随着真空度的增加,摩擦系数逐渐降低,磨损率增加.通过分析径向分布函数(RDF)、原子相对浓度、摩擦界面温度和原子运动速度等的变化,发现真空度升高,更多的聚四氟乙烯分子链吸附在铁原子层表面,使得相互作用增强,摩擦界面温度升高,原子运动速度加快,在滑动过程中更多的聚四氟乙烯分子黏附在铁原子表面,导致磨损量也增大.利用空间环境地面模拟装置考察了PTFE在不同真空度下的摩擦磨损性能,从而验证了分子动力学模拟计算结果的可靠性.  相似文献   

3.
利用分子动力学方法研究了金属钨中螺位错在剪切力作用下的运动特性.根据弹性理论在BCC晶体中形成位错线沿<111>的螺位错,在合适的边界条件下获得平衡态的位错结构.发现位错由{110}平面沿<112>方向三个呈对称的皱褶组成.对平衡态结构施加剪切力,发现剪力很小时,位错核心不动,核心形状有畸变;当剪力增大到一定程度时位错开始运动.位错运动后,剪切力较小时,核心呈“之”字形运动;在较大剪力下,位错开始阶段呈“之”字形运动,一段距离后主要沿[211]方向作直线运动.位错运动的速度随着剪切力的增加而增大.  相似文献   

4.
采用界面跟踪法FTM(Front-Tracking Method),并结合CSF(continuum surface force)模型,研究了在垂直方向上温度分布不均匀的对称流场中由Marangoni效应引起的气泡上升运动问题。模拟了在不同的M a数和Pr数下单气泡及同轴双气泡的运动。研究结果表明,在不同的M a数下气泡的运动差异较大,M a数越大,气泡运动至稳态时的速度越大,且气泡运动的最大速度值与M a数呈正相关关系;增大Pr数所造成的粘度增大或热扩散率减小将削弱气泡的迁移运动;Marangoni对流中双气泡的局部运动证实了温度梯度和气泡运动速度紧密相关。  相似文献   

5.
温度和加载速率影响位错发射的分子动力学模拟   总被引:2,自引:2,他引:0  
以A1作为研究对象,采用EAM势进行分子动力学模拟,在Ⅰ型和Ⅱ型加载条件下,研究了温度和取向对发射位错的临界应力强度因子的影响,模拟结果表明,裂尖发射位错的监介应力强度因子随温度升高指数规律降低,但却随加载速率的增大而升高。  相似文献   

6.
用分子动力学方法模拟了bcc单晶铁中滑移面为(011)晶面、柏氏矢量b-=±[100]的刃型位错偶极子吸引至湮灭的动力学过程.模拟结果显示:沿[100]晶向滑移的正刃型位错穿越Peierls势垒的方式为滑移面上方芯原子沿[111]晶向滑移,滑移面下方芯原子沿[111]晶向滑移;芯原子滑移方向分别偏转为[111]和[111]晶向,同时芯能量以格波形式释放.统计了位错运动速度和Peierls势垒随时间或两位错距离的变化.  相似文献   

7.
金(Au)及其合金由于优异的导电和抗氧化特性被广泛用做星载导电滑环涂覆层,本文中采用分子动力学模拟方法研究了导电滑环Au-Au涂层在不同温度和不同摩擦速度下的摩擦磨损行为,并通过设定模型局部快速升温模拟载流摩擦中电弧侵蚀的效果.结果表明:滑环环体与环刷的磨损主要为黏着磨损,温度升高会加快下压过程的界面力学响应;相对运动速度越低,磨损越严重,同时跑合后的摩擦力越大;影响摩擦磨损特性的主要原因是接触中心在温升区域中心附近时的焊接现象.研究结果为揭示Au-Au涂层的摩擦磨损性能随温度和速度变化的微观机理提供了参考依据,为我国卫星长寿命,高可靠性设计提供理论基础.  相似文献   

8.
在三维离散位错动力学模型中,用Langevin力描述温度对位错的影响作用,模拟了位错克服晶格Peierls应力与阻尼应力的滑移过程.模拟结果表明,位错克服Peierls应力的热激活效应随温度的升高而增大,随应变率的增高而减小.利用热激活本构模型描述了位错热激活滑移过程,拟合了Peierls应力的激活能,结果表明含温度的离散位错动力学模型能较正确地模拟位错的热激活滑移过程.但Peierls阻碍的非离散化处理使激活能与指前因子均随温度升高而增大,这表明离散位错动力学模型模拟Peierls阻碍存在不足之处,其本质原因是介观级的位错动力学模型目前还无法正确模拟微观级的位错芯性质.  相似文献   

9.
采用准连续介质方法模拟面心立方(FCC)铝单晶薄膜在纳米压痕下产生的变形过程.分别用四种不同的压头宽度,得出载荷-位移响应曲线和应变能变化曲线,发现压头宽度越大,晶体产生塑性变形的临界载荷越大;临界载荷的大小和采用能量理论预测的大小基本一致;模拟过程中,观察到位错成核现象,了解到载荷-位移响应曲线的突降是由位错成核现象所引起,四种情况中压头载荷的降幅大致相同;最后分析了模型在原子层次下的变形机理.  相似文献   

10.
运用分子动力学仿真模拟高速磨削下单颗金刚石磨粒切削单晶硅的过程,通过分析切屑、相变、位错运动并结合工件表面积的演变规律研究磨削速度对亚表层损伤和磨削表面完整性的影响.仿真结果显示:磨削速度的增大会加剧磨粒前端材料的堆积,超过200 m/s后增加不再明显.而加工区域的平均温度通过原子之间的挤压和摩擦会不断增大.在磨削温度、磨削力以及粘附效应的相互作用下,摩擦系数先增大后减小.晶格的变形、晶格重构和非晶相变导致切屑形成过程中的磨削力剧烈波动.研究结果表明:在加工脆性材料单晶硅过程中,随着磨削速度的升高亚表层损伤厚度先减小后增大.当磨削速度低于150 m/s时,随着磨削速度的升高,磨粒下方的原子晶格重新排列的时间缩短,非晶结构的产生减少,亚表层损伤厚度减小.当磨削速度超过150 m/s时,加工区域中的高温成为主导因素促进位错的成核、运动致使亚表层损伤厚度增大.  相似文献   

11.
应用关联参照模型、随位错位置变化的柔性位移边界条件和三维分子动力学方法研究了体心立方(BCC)金属晶体钼在不同温度下裂尖发射位错的力学行为,随着温度的提高,不但发射位错的临界应力强度因子下降而且在同一应 度因子条件下,发射位错的数量出增加,位错速度和不全位错之间的扩展距离对温度不敏感,在位错发射过程中,发现了稳定的和不稳定的两个变形状态,在稳定的有状态,位错发射后,塞积在远离裂纹尖端处;必须增加外  相似文献   

12.
The effect of thermally activated energy on the dislocation emission from a crack tip in BCC metal Mo is simulated in this paper. Based on the correlative reference model on which the flexible displacement boundary scheme is introduced naturally, the simulation shows that as temperature increases the critical stress intensity factor for the first dislocation emission will decrease and the total number of emitted dislocations increase for the same external load. The dislocation velocity and extensive distance among partial dislocations are not sensitive to temperature. After a dislocation emission, two different deformation states are observed, the stable and unstable deformation states. In the stable deformation state, the nucleated dislocation will emit from the crack tip and piles up at a distance far away from the crack tip, after that the new dislocation can not be nucleated unless the external loading increases. In the unstable deformation state, a number of dislocations can be emitted from the crack tip continuously under the same external load. The project is supported by the National Natural Science Foundation of China.  相似文献   

13.
The gliding behavior of edge dislocation near a grain boundary (GB) in copper under pure shear stresses is simulated by using molecular dynamics(MD) method. Many-body potential incorporating the embedded atom method (EAM) is used. The critical shear stresses for a single disocation to pass across GB surface are obtained at values of σ c =23MPa ∼ 68 MPa and 137MPa∼274 MPa for Ω=165 small angle tilt GB at 300K and 20K, respectively. The first result agrees with the experimental yield stress σ y (=42MPa) quite well. It suggests that there might be one of the reasons of initial plastic yielding caused by single dislocation gliding across GB. In addition, there might be possibility to obtain yield strength from microscopic analysis. Moreover, the experimental value of σ y at low temperature is generally higher than that at room temperature. So, these results are in conformity qualitatively with experimental fact. On the other hand, the Ω=25 GB is too strong an obstacle to the dislocation. In this case, a dislocation is able to pass across GB under relatively low stress only when it is driven by other dislocations. This is taken to mean that dislocation pile-up must be built up in front of this kind of GB, if this GB may take effect on the process of plastic deformation. The project supported by KM85-33 of Academia Sinica and the National Natural Science Foundation of China  相似文献   

14.
Molecular dynamics simulation of crack-tip processes in copper   总被引:1,自引:0,他引:1  
The crack tip processes in copper under mode II loading have been simulated by a molecular dynamics method. The nucleation, emission, dislocation free zone (DFZ) and pile-up of the dislocations are analyzed by using a suitable atom lattice configuration and Finnis & Sinclair potential. The simulated results show that the dislocation emitted always exhibits a dissociated fashion. The stress intensity factor for dislocation nucleation, DFZ and dissociated width of partial dislocations are strongly dependent on the loading rate. The stress distributions are in agreement with the elasticity solution before the dislocation emission, but are not in agreement after the emission. The dislocation can move at subsonic wave speed (less than the shear wave speed) or at transonic speed (greater than the shear wave speed but less than the longitudinal wave speed), but at the longitudinal wave speed the atom lattice breaks down. The project supported by the National Natural Science Foundation of China  相似文献   

15.
This study presents a dynamic-induced direct-shear model to investigate the dynamic triggering of frictional slip on simulated granular gouges. An incident P-wave is generated as a shear load and a normal stress is constantly applied on the gouge layer. The shear stress accumulates in the incident stage and the frictional slip occurs in the slip stage without the effect of the reflected wave. The experimental results show a non-uniform shear stress distribution along the gouge layer, which may be induced by a shear load induced torque and by normal stress vibration along the layer. The shear stress at the trailing edge strongly affects the frictional slip along the P-wave loading direction, while the rebound stress at the leading edge propagates along the opposite direction. The frictional slip is triggered when the maximum shear stress at the trailing edge reaches a critical value. The normal stress influences the maximum shear stress at the trailing edge, the maximum slip displacement and the slip velocity. The advantages and the limitations of this model are discussed at the end.  相似文献   

16.
An analytical study of the entropy generation rate and heat transfer in a flow of immiscible couple stress fluids between two horizontal parallel plates under a constant pressure gradient is performed. Both plates are kept at different and constant temperatures higher than that of the fluid. The Stokes couple stress flow model is employed. The classical no-slip condition is prescribed at the plates, and continuity of the velocity, rotation, couple stress, shear stress, temperature, and heat flux is imposed at the interfaces. The velocity and temperature distributions are found analytically, and they are used to compute the entropy generation number and Bejan number. The effects of the couple stress parameter and Reynolds number on the velocity, temperature, entropy generation number, and Bejan number are investigated. It is observed that the friction near the plates in couple stress fluids decreases as the couple stress increases.  相似文献   

17.
In continuum models of dislocations, proper formulations of short-range elastic interactions of dislocations are crucial for capturing various types of dislocation patterns formed in crystalline materials. In this article, the continuum dynamics of straight dislocations distributed on two parallel slip planes is modelled through upscaling the underlying discrete dislocation dynamics. Two continuum velocity field quantities are introduced to facilitate the discrete-to-continuum transition. The first one is the local migration velocity of dislocation ensembles which is found fully independent of the short-range dislocation correlations. The second one is the decoupling velocity of dislocation pairs controlled by a threshold stress value, which is proposed to be the effective flow stress for single slip systems. Compared to the almost ubiquitously adopted Taylor relationship, the derived flow stress formula exhibits two features that are more consistent with the underlying discrete dislocation dynamics: (i) the flow stress increases with the in-plane component of the dislocation density only up to a certain value, hence the derived formula admits a minimum inter-dislocation distance within slip planes; (ii) the flow stress smoothly transits to zero when all dislocations become geometrically necessary dislocations. A regime under which inhomogeneities in dislocation density grow is identified, and is further validated through comparison with discrete dislocation dynamical simulation results. Based on the findings in this article and in our previous works, a general strategy for incorporating short-range dislocation correlations into continuum models of dislocations is proposed.  相似文献   

18.
The strengthening of Al by Mg solute atoms is investigated using molecular dynamics (MD) studies of single dislocations moving through a field of randomly placed solutes. The MD method permits explicit treatment of “core” effects, dislocation pinning and deceleration, and dislocation unpinning by thermal activation, all under an applied load. Choice of an appropriate MD simulation cell size is assessed using analytic concepts developed by Labusch. The interaction energy of a single Mg atom with straight edge and screw dislocations is computed and compared with continuum models. Using the single Mg energies, a one-dimensional energy landscape for the motion of a straight edge dislocation through a random field of Mg solutes is computed. The minima in this landscape match well with those found in the MD simulations at zero temperature. The stress to unpin a straight edge dislocation trapped in a local energy minimum generated by the solutes is then predicted semi-analytically using the energy landscape, and good agreement is obtained with the MD results. At temperatures of 300 and 500 K, the thermally activated rate of unpinning vs. stress and temperature is calculated semi-analytically, and agreement with the full MD results is again obtained with the fitting of a single attempt frequency in a transition state model. The agreement of the semi-analytical models provides a basis for calculating yield stress vs. strain rate and temperature, resulting from statistical pinning, for the case of non-interacting dislocations on a single slip system, and for extending the analysis to study dynamic strain aging effects resulting from diffusion of Mg atoms around a pinned dislocation.  相似文献   

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