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.

Effect of Nb Content on the Microstructure and Mechanical Properties of Zr-Cu-Ni-Al-Nb Glass Forming Alloys

(Zr65Al10Ni10Cu15)(100-x) Nb-x glass forming alloys with Nb contents ranging from 0 to 15 at.% were prepared by water-cooled copper mould cast. The alloys with different Nb contents exhibited different microstructures and mechanical properties. Unlike the monolithic Zr65Al10Ni10Cu15 bulk metallic glass, only a few primary bee beta-Ti phase dendrites were found to distribute in the glassy matrix of the alloys with x = 5. For alloys with x = 10, more beta-phase dendrites forms, together with quasicrystalline particles densely distributed in the matrix of the alloys. For alloys with x = 15, the microstructure of the alloy is dominated by a high density of fully developed P-phase dendrites and the volume fraction of quasicrystalline particles significantly decreases. Room temperature compression tests showed that the alloys with x = 5 failed at 1793 MPa and exhibited an obvious plastic strain of 3.05%, while the other samples all failed in a brittle manner. The ultimate fracture strengths are 1793, 1975 and 1572 MPa for the alloys with x = 0, 10 and 15 at.% Nb, respectively.

Study Of Mechanical Properties Of Amorphous Copper With Molecular Dynamics Simulation

The formation and mechanical properties of amorphous copper are studied using molecular dynamics simulation. The simulations of tension and shearing show that more pronounced plasticity is found under shearing, compared to tension. Apparent strain hardening and strain rate effect are observed. Interestingly, the variations of number density of atoms during deformation indicate free volume creation, especially under higher strain rate. In particular, it is found that shear induced dilatation does appear in the amorphous metal.

Synthesis Of Plastic Zr-Based Bulk Metallic Glass Matrix Composites By The Copper-Mould Suction Casting And The Bridgman Solidification

Zr-based bulk metallic glass matrix composites with the composition of Zr56.2Ti13.8Nb5.0Cu6.9Ni5.6Be12.(5) were synthesized by the copper-mould suction casting and the Bridgman solidification. The composite, containing a well-developed flowery beta-Zr dendritic phase, was obtained by the Bridgman solidification with the withdrawal velocity of 0.8 mm/s and the temperature gradient of 45 K/mm, and the ultimate strength of 2050 MPa and fracture plastic strain of 14.6% of the composite were achieved, which was mainly interpreted by the homogeneous dispersion of bcc beta-Zr phase in the glass matrix. Crown Copyright (C) 2008 Published by Elsevier B.V. All rights reserved.

Deformation, Phase Transformation and Recrystallization in the Shear Bands Induced by High-Strain Rate Loading in Titanium and its Alloys

alpha-titanium and its alloys with a dual-phase structure (alpha+beta) were deformed dynamically under strain rate of about 10(4) s(-1). The formation and microstructural evolution of the localized shear bands were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results reveal that both the strain and strain rate should be considered simultaneously as the mechanical conditions for shear band formation, and twinning is an important mode of deformation. Both experimental and calculation show that the materials within the bands underwent a superhigh strain rate (9 x 10(5) s(-1)) deformation, which is two magnitudes of that of average strain rate required for shear band formation; the dislocations in the bands can be constricted and developed into cell structures; the phase transformation from alpha to alpha(2) within the bands was observed, and the transformation products (alpha(2)) had a certain crystallographic orientation relationship with their parent; the equiaxed grains with an average size of 10 mu m in diameter observed within the bands are proposed to be the results of recrystallization.

Metallographic Analysis of Cu-Zr-Al Bulk Amorphous Alloys with Yttrium Addition

Minor yttrium addition can improve the glass-forming ability of Cu-Zr-Al ternary alloys via suppression of the growth of eutectic clusters. Yttrium addition also makes the room temperature ductility of the alloys decrease, and both the compressive strength and elastic strain limits increase slightly.

Improving Nucleation in the Fabrication of High-Quality 3D Macro-Porous Copper Film through The Surface-Modification of A Polystyrene Colloid-Assembled Template

A new approach is developed to the fabrication of high-quality three-dimensional macro-porous copper films. A highly-ordered macroporous copper film is successfully produced on a polystyrene sphere (PS) template that has been modified by sodium dodecyl sulfate (SDS). It is shown that this procedure can change a hydrophobic surface of PS template into a hydrophilic surface. The present study is devoted to the influence of the electrolyte solution transport on the nucleation process. It is demonstrated that the permeability of the electrolyte solution in the nanochannels of the PS template plays an important role in the chemical electrodeposition of high-quality macroporous copper film. The permeability is drastically enhanced in our experiment through the surface modi. cation of the PS templates. The method could be used to homogeneously produce a large number of nucleations on a substrate, which is a key factor for the fabrication of the high-quality macroporous copper film.

Mechanism of nucleation and precipitation in Li containing Al-Zn-Mg-Cu alloys

Investigations on the aging hardening behavior of four Al-Li-Zn-Mg-Cu alloys were carried out using differential scanning calorimetry, transmission electron microscopy and hardness measurement. It is shown that the addition of Li inhibits the formation of Zn-rich G.P. zones in Al-Zn-Mg-Cu alloys. The dominant aging hardening precipitates is delta'(Al3Li) phase. Coarse T ((AlZn)(49)Mg-32) phase, instead of MgZn2, precipitates primarily on grain boundaries, and provides little strengthening. The multi-stop aging involving plastic deformation introduces in the matrix a high concentration of structural defects. These defects play different role on the nucleation of Zn-rich G.P. zones in different alloys. For the Li free alloy, structural defects act as vacancy sinks and tend to suppress the homogeneous precipitation of G.P. zones, while for the Li containing alloys, these defects promote the heterogeneous nucleation of G.P. zones and metastable MgZn2. A significant aging hardening effect is attained in deformed Li containing alloys due to the extra precipitation of fine MgZn2 in the matrix combined with deformation hardening.

Thermoplastic shear localisation in titanium alloys during dynamic deformation

Cylindrical specimens (4 mm diameter and 4 mm height) of titanium alloy bar were given various heat treatments to provide a wide range of microstructures and mechanical parameters. These specimens were then subjected to high plastic strain at a large strain rate (103 s-1 ) during dynamic compression by a split Hopkinson bar at ambient temperature. The microstructures of the localised shear bands were examined by optical and transmission electron microscopy. The results show that there are two types of localised shear bands: deformed and white shear bands. A detailed observation reveals that there is no difference in the nature of the deformed and white shear bands, but they occur at different stages of localised deformation. It is found that there is a burst of strain, corresponding to a critical strain rate at which the white shear band occurs and no phase transformation occurs in the shear bands.

Ductile Metallic Glasses in Supercooled Martensitic Alloys

We report ductile bulk metallic glasses based on martensitic alloys. The slowly cooled specimens contain a mixture of parent 'austenite' and martensite phase. The slightly faster cooled bulk metallic glasses with 2-5 nm sized 'austenite'-like crystalline cluster reveal high strength and large ductility (16%). Shear bands propagate in a slither mode in this spatially inhomogeneous glassy structure and undergo considerable 'thickening' from 5-25 nm. A 'stress induced displacive transformation' is proposed to be responsible for both plasticity and work-hardening-like behavior of these 'M-Glasses'.

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.

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.

A Thermodynamic Constitutive Model for Stress Induced Phase Transformation in Shape Memory Alloys

In this paper a thermodynamic constitutive model is developed for stress induced phase transformation in single crystalline and polycrystalline shape memory alloys (SMAs). Volume fractions of different martensite variants are chosen as internal variables to describe the evolution of microstructure state in the material. This model is then used in prediction the transformation behavior of a SMA (Cu-Al-Zn-Mn) under complex thermomechanical load (including complete and incomplete transformation in mechanical cycling, and proportional/non-proportional loading). (C) 2002 Elsevier Science Ltd. All rights reserved.

Influence of Forced Convection on Columnar Microstructure During Directional Solidification of Al-Ni Alloys

This paper presents a summary of cellular and dendritic morphologies resulting from the upward directional solidification of Al - Ni alloys in a cylindrical crucible. We analysed the coupling of solid-liquid interface morphology with natural and forced convection. The influence of natural convection was first analyzed as a function of growth parameters (solute concentration, growth rate and thermal gradient). In a second step, the influence of axial vibrations on solidification microstructure was investigated by varying vibration parameters (amplitude and frequency). Experimental results were compared to preliminary numerical simulations and a good agreement is found for natural convection. In this study, the critical role of the mushy zone in the interaction between fluid flow and solidification microstructure is pointed out.

Undercooling and Rapid Solidification of Nb-Si Eutectic Alloys Studied by Long Drop Tube

Niobium-silicide alloys have great potential for high temperature turbine applications. The two-phase Nb/Nb5Si3 in situ composites exhibit a good balance in mechanical properties. Using the 52 in drop tube, the effect of undercooling and rapid solidification on the solidification process and micro-structural characterization of Nb-Si eutectic alloy was studied. The microstructures of the Nb-Si composites were investigated by optics microscope (OM), X-ray diffraction (XRD) and scanning electron microscope (SEM) equipped with X-ray energy dispersive spectrometry (EDS). Up to 480 K, deep undercooling of the Nb-Si eutectic samples was successfully obtained, which corresponds to 25% of the liquidus temperature. Contrasting to the conventional microstructure usually found in the Nb-Si eutectic alloy, the microstructure of the undercooled sample is divided into the fine and coarse regions. The most commonly observed microstructure is Nb+Nb5Si3, and the Nb3Si phase is not be found. The change of coarseness of microstructure is due to different cooling rates during and after recalescence. The large undercooling is sufficient to completely bypass the high temperature phase field.