Formation of Fivefold Deformation Twins in Nanocrystalline Face-Centered-Cubic Copper Based on Molecular Dynamics Simulations

Fivefold deformation twins were reported recently to be observed in the experiment of the nanocrystalline face-centered-cubic metals and alloys. However, they were not predicted previously based on the molecular dynamics (MD) simulations and the reason was thought to be a uniaxial tension considered in the simulations. In the present investigation, through introducing pretwins in grain regions, using the MD simulations, the authors predict out the fivefold deformation twins in the grain regions of the nanocrystal grain cell, which undergoes a uniaxial tension. It is shown in their simulation results that series of Shockley partial dislocations emitted from grain boundaries provide sequential twining mechanism, which results in fivefold deformation twins. (c) 2006 American Institute of Physics.

Twinning and Stacking Fault Formation during Tensile Deformation of Nanocrystalline Ni

Deformation twins and stacking faults have been observed in nanocrystal line Ni, for the first time under uniaxial tensile test conditions. These partial dislocation mediated deformation mechanisms are enhanced at cryogenic test temperatures. Our observations highlight the effects of deformation conditions, temperature in particular, on deformation mechanisms in nanograins.

Partial-Dislocation-Mediated Processes in Nanocrystalline Ni with Nonequilibrium Grain Boundaries

The partial-dislocation-mediated processes have so far eluded high-resolution transmission electron microscopy studies in nanocrystalline nc Ni with nonequilibrium grain boundaries. It is revealed that the nc Ni deformed largely by twinning instead of extended partials. The underlying mechanisms including dissociated dislocations, high residual stresses, and stress concentrations near stacking faults are demonstrated and discussed.

Deformation Defects in Nanocrystalline Nickel

Defects induced by plastic deformation in electrodeposited, fully dense nanocrystalline (nc) Ni with an average grain size of 25 nm have been characterized by means of high resolution transmission electron microscopy. The nc Ni was deformed under uniaxial tension at liquid-nitrogen temperature. Trapped full dislocations were observed in the grain interior and near the grain boundaries. In particular, these dislocations preferred to exist in the form of dipoles. Deformation twinning was confirmed in nc grains and the most proficient mechanism is the heterogeneous nucleation via emission of partial dislocations from the grain boundaries.

Effects Analysis on the Mechanical Properties of Nanocrystalline Materials

Nanocrystalline materials are characterized by a typical grain size from 1 to 100nm. In order to study the nanocrystalline properties of nanocrystalline materials, we chose nanocrystalline coppers as the research object. The uniaxial tensile deformation of computer produced nanocrystalline coppers is simulated by using molecular dynamics with Finnis-Sinclair potential. The mean grain size of simulated nanocrystalline coppers is varied within the 5.38 to 1.79 nm range. The strength, Young's modulus and stress-strain are strongly depended on the grain size and nanocrystalline structure. The simulated nanocrystalline coppers show a reverse Hall-Petch effect.

Localized Solid-State Amorphization at Grain Boundaries in a Nanocrystalline Al Solid Solution Subjected to Surface Mechanical Attrition

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

Predictions for Partial-Dislocation-Mediated Processes in Nanocrystalline Ni by Generalized Planar Fault Energy Curves: An Experimental Evaluation

Generalized planar fault energy (GPFE) curves have been used to predict partial-dislocation-mediated processes in nanocrystalline materials, but their validity has not been evaluated experimentally. We report experimental observations of a large quantity of both stacking faults and twins in nc Ni deformed at relatively low stresses in a tensile test. The experimental findings indicate that the GPFE curves can reasonably explain the formation of stacking faults, but they alone were not able to adequately predict the propensity of deformation twinning.

Molecular Dynamics Simulation of the Uniaxial Tensile Deformation of Nanocrystalline Copper

纳米材料是由尺度在1～100 nm的微小颗粒组成的体系,由于它具有独特的性能而备受关注.本文简要地回顾了分子动力学在纳米材料研究中的应用,并运用它模拟了平均晶粒尺寸从1.79～5.38nm的纳米晶体的力学性质.模拟结果显示:随着晶粒尺寸的减小,系统与晶粒内部的原子平均能量升高,而晶界上则有所下降;纳米晶体的弹性模量要小于普通多晶体,并随着晶粒尺寸的减小而减小;纳米晶铜的强度随着晶粒的减小而减小,显示了反常的Hall-Petch效应;纳米晶体的塑性变形主要是通过晶界滑移与运动,以及晶粒的转动来实现的;位错运动起着次要的、有限的作用;在较大的应变下(约大于5%),位错运动开始起作用;这种作用随着晶粒尺寸的增加而愈加明显.

The Influence of Grain Size and Temperature on the mechanical Deformation of Nanocrystalline Materials: Molecular Dynamics Simulation

Nanocrystalline (nc) materials are characterized by a typical grain size of 1-100nm. The uniaxial tensile deformation of computer-generated nc samples, with several average grain sizes ranging from 5.38 to 1.79nm, is simulated by using molecular dynamics with the Finnis-Sinclair potential. The influence of grain size and temperature on the mechanical deformation is studied in this paper. The simulated nc samples show a reverse Hall-Petch effect. Grain boundary sliding and motion, as well as grain rotation are mainly responsible for the plastic deformation. At low temperatures, partial dislocation activities play a minor role during the deformation. This role begins to occur at the strain of 5%, and is progressively remarkable with increasing average grain size. However, at elevated temperatures no dislocation activity is detected, and the diffusion of grain boundaries may come into play.

A Study on the Microstructure Characteristic of the Cold-Rolled Deformed Nanocrystalline Nickel

In this paper the microstructure characteristic of the cold-rolled deformed nanocrystalline Nickel metal has been studied by transmission electron microscopy (TEM). The results show that there were step structures near by grain boundary (GB), and the contrast of stress field in front of the step corresponds to the step in the shape. It indicates that the interaction between twins and dislocations is not a necessary condition to realizing the deformation. In the later stage of the deformation when the grain size became about 100 nm, the deformation occurs only depend upon the moving of the boundary of the stack faults (SFs) which result from the imperfection dislocations emitted from GBs. In the other word, the movement of the boundary dislocations of SFs results to growing-up of the size of the SFs, therefore realizes deformation. However, when the size of stack faults grows up, the local internal stress which is in front of the step gradually becomes higher. When this stress reach a critical value stopping the gliding of the partial dislocations, the SFs will stop growing up and leave a step structure behind.

Deformation Twinning Mechanisms in Nanocrystalline Ni

Extensive transmission electron microscopy examinations confirm that twinning does occur upon large plastic deformation in nanocrystalline Ni, for which no sign of deformation twinning was found in previous tensile tests. Compelling evidence has been obtained for several twinning mechanisms that operate in nanocrystalline grains, with the grain boundary emission of partial dislocations determined as the most proficient. (c) 2006 American Institute of Physics.

Nonuniformity Effect of Surface-Nanocrystalline Materials in Nanoindentation Test

In the present research, microstructures of the surface-nanocrystalline Al alloy material are observed and measured based on the transmission electron microscopy (TEM) technique, and the corresponding mechanical behaviors are investigated experimentally and theoretically. In the experimental research, the nanoindentation test method is used, and the load and microhardness curves are measured, which strongly depend on the grain size and grain size nonuniformity. Two kinds of the nanoindentation test methods are adopted: the randomly selected loading point method and the continuous stiffness method. In the theoretical modeling, based on the microstructure characteristics of the surface-nanocrystalline Al alloy material, a dislocation pile-up model considering the grain size effect and based on the Mott theory is presented and used. The hardness-indent depth curves are predicted and modeled.

Molecular Dynamics Simulation of Microstructure of Nanocrystalline Copper

The microstructure of computer generated nanocrystalline coppers is simulated by using molecular dynamics with the Finnis-Sinclair potential, analysed by means of radial distribution functions, coordination number, atomic energy and local crystalline order. The influence of the grain size on the nanocrystalline structure is studied. The results reveal that as the grain size is reduced, the grain boundary shows no significant structural difference, but the grain interior becomes more disordered, and their structural difference diminishes gradually; however, the density and the atomic average energy of the grain boundary present different tendencies from those of the grain interior.

Step Structure in Cold-Rolled Deformed Nanocrystalline Nickel

The microstructure characteristic of the cold-rolled deformed nanocrystalline nickel metal is studied by transmission electron microscopy. The results show that there are step structures nearby the grain boundary (GB), and the contrast of stress field in front of the step corresponds to the step in the shape. It is indicated that the interaction between twins and dislocations is not a necessary condition to realizing the deformation. In the later stage of the deformation when the grain size becomes about 100nm, the deformation can depend upon the moving of the boundary of the stack faults (SFs) which result from the partial dislocations emitted from GBs. However, when the size of SFs grows up, the local internal stress which is in front of the step gradually becomes higher. When this stress reaches a critical value which stops the gliding of the partial dislocations, the SFs will stop to grow up and leave a step structure behind.

Nanocrystalline Formation During Mechanical Attrition of Cobalt

The nanocrystalline (nc) formation was studied in cobalt (a mixture of c (hexagonal close packed) and gamma (face-centered cubic) phases) subjected to surface mechanical attrition treatment. Electron microscopy revealed the operation of {10(1) over bar 0}< 11(2) over bar 0 > prismatic and {0001}< 11(2) over bar 0 > basal slip in the E phase, leading to the successive subdivision of grains to nanoscale. In particular, the dislocation splitting into the stacking faults was observed to occur in ultrafine and nc grains. By contrast, the planar dislocation arrays, twins and martensites were evidenced in the gamma phase. The strain-induced gamma ->epsilon martensitic transformation was found to progress continuously in ultrafine and nc grains as the strain increased. The nc formation in the gamma phase was interpreted in terms of the martensitic transformation and twinning.