Grain Boundary Effects On Plastic Deformation And Fracture Mechanisms In Cu Nanowires: Molecular Dynamics Simulations

Metallic nanowires have many attractive properties such as ultra-high yield strength and large tensile elongation. However, recent experiments show that metallic nanowires often contain grain boundaries, which are expected to significantly affect mechanical properties. By using molecular dynamics simulations, here, we demonstrate that polycrystalline Cu nanowires exhibit tensile deformation behavior distinctly different from their single-crystal counterparts. A significantly lowered yield strength was observed as a result of dislocation emission from grain boundaries rather than from free surfaces, despite of the very high surface to volume ratio. Necking starts from the grain boundary followed by fracture, resulting in reduced tensile ductility. The high stresses found in the grain boundary region clearly play a dominant role in controlling both inelastic deformation and fracture processes in nanoscale objects. These findings have implications for designing stronger and more ductile structures and devices on nanoscale.

Controlled crystallinity and crystallographic orientation of Cu nanowires fabricated in ion-track templates

The hallmark of materials science is the ability to tailor the structures of a given material to provide a desired response. In this work, the structures involving crystallinity and crystallographic orientation of Cu nanowires electrochemically fabricated in ion-track templates have been investigated as a function of fabrication condition. Both single crystalline and polycrystalline nanowires were obtained by adjusting applied voltages and temperatures of electrochemical deposition. The anti-Hall-Petch effect was experimentally evidenced in the polycrystalline nanowires. The dominant crystallographic orientations of wires along [111], [100], or [110] directions were obtained by selecting electrochemical deposition conditions, i.e., H2SO4 concentration in electrolyte, applied voltage, and electrodeposition temperature.

Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries

This letter addresses the issue of deformation mechanisms and mechanical tensile behavior of the twinned metal nanowires using atomistic simulations. Free surfaces are always the preferential dislocation nucleation sites in the initial inelastic deformation stage, while with further plastic deformation, twin boundary interfaces will act as sources of dislocations with the assistance of the newly formed defects. The smaller the twin boundary spacing, the higher the yielding stresses of the twinned nanowires. Twin boundaries, which serve both as obstacles to dislocation motion and dislocation sources, can lead to hardening effects and contribute to the tensile ductility. This work illustrates that the mechanical properties of metal nanowires could be controlled by tailoring internal growth twin structures. (c) 2007 American Institute of Physics.

云母模板中Cu纳米线的制备及其光学性质研究

Nanopores with diameters between 30 nm and 180 nm have been fabricated by inducing latent track with fast heavy ions and etching process in 25 μm thick,single-crystal muscovite mica.For short etching time,the nanopores are columns with circular cross section.For long etching time the cross section of nanopores becomes rhombic.Thus the shape of nanopores depends on the etching time.Cu nanowires have been fabricated with controlled dimensions by electrodeposition into the nanopores.The ultraviolet-visible lig...中文文摘：利用快重离子辐照的单晶白云母片产生潜径迹,蚀刻得到直径在30—180nm纳米孔道.孔道形状依赖于蚀刻时间,蚀刻时间短得到圆柱形孔道,蚀刻时间长得到菱柱形孔道.从而在云母模板孔道中电化学沉积得到不同直径和形状的Cu纳米线.通过紫外可见光谱分析,发现铜纳米线的尺寸和形状影响其光学性质.直径小于60nm的近似为圆柱状Cu纳米线有一个明显的表面等离子体共振峰和一个微弱的次峰.随着直径增加,菱柱状的Cu纳米线主峰有明显的红移,次峰逐渐增强.同时利用扫描电子显微镜、X射线衍射对Cu纳米线的形貌和晶体结构特征进行了表征.

Fast and facile preparation of superhigh aspect-ratio Cu-thiourea nanowires in large quantity

Superhigh aspect-ratio Cu-thiourea (Cu(tu)) nanowires have been synthesized in large quantity via a fast and facile method. Nanowires of Cu (tu)Cl center dot 0.5H(2)O and Cu(tu)Br center dot 0.5H(2)O were found to be 60-100 nm and 100-200 nm, in diameter, and could extend to several millimeters in length. It is found to be the most convenient and facile approach to the fabrication of one-dimensional superhigh aspect-ratio nanomaterials in large scale so far.

Atomistic Simulations of the Mechanical Behavior of Fivefold Twinned Nanowires

Atomistic simulations are used to investigate the mechanical behavior of metal nanowire with fivefold twinned structure. The twinned nanowires were reported in recent experiments [B. Wu et al., Nano Lett. 6, 468 (2006)]. In the present paper, we find that the yield strength of the fivefold twinned Cu nanowire is 1.3 GPa higher than that of the face-centered-cubic (fcc) < 110 > single crystalline Cu nanowire without fivefold twinned structure, and the microstructure-hardened mechanism is primarily due to the twinned boundaries which act as the barriers for the dislocation emission and propagation. However, we also find that the fivefold twinned Cu nanowire has lower ductility than that of fcc < 110 > single crystalline Cu nanowire without the twinned structure, and this is mainly attributed to the scarcity and low mobility of dislocations. In addition, in our simulations the effect of preexisting stacking faults and dislocations on strength of the fivefold twinned nanowires is investigated.

Surface Plasmon Resonances of Cu Nanowire Arrays

Surface plasmon resonances of arrays of parallel copper nanowires, embedded in ion track-etched polycarbonate membranes, were investigated by systematic changes of nanowires’ topology and arrays area density. The extinction spectra exhibit two peaks which are attributed to interband transitions of Cu bulk metal and to a dipolar surface plasmon resonance, respectively. The resonances were investigated as a function of wire diameter and length, mean distance between adjacent wires, and angle of incidence of the light field with respect to the long wire axis. The dipolar peak shifts to larger wavelengths with increasing diameter and length, and diminishing mean distance between adjacent wires. Additionally, the shape effect on the dipolar peak is investigated.

Biological application of multi-component nanowires in hybrid devices powered by F-1-ATPase motors

In this paper, construction of hybrid device by integrating nanowires with F1-ATPase motors is described. The nickel nanowires and multi-segment nanowires, including gold and nickel, were fabricated by electrochemical deposition in nanoporous templates. The nickel nanowires functionalized by biotinylated peptide can be assembled directly onto F1-ATPase motors to act as the propellers. If the multicomponent nanowires, including gold and nickel, were selectively functionalized by the thiol group modified ssDNA and the synthetic peptide, respectively, the biotinylated F1- ATPase motors can be attached to the biotinylated peptide on nickel segment of the nanowires. Then, the multi-component nanowires can also be used as the propellers, and one may observe the rotations of the multi-component nanowires driven by F1-ATPase motors. Therefore, introduction of multiple segments along the length of a nanowire can lead to a variety of multiple chemical functionalities, which can be selectively bound to cells and special biomolecules. This method provides an insight for the construction of other hybrid devices with its controlling arrangement of different biomolecule on designed nanometer scale structures.

Formation, Thermal Stability and Deformation Behavior of Graphite-Flakes Reinforced Cu-based Bulk Metallic Glass Matrix Composites

Graphite-flake reinforced Cu47Ti34Zr11 Ni-8 bulk metallic glass matrix composite was fabricated by water-cooled copper mould cast. Most of the graphite flakes still keep unreacted and distribute uniformly in the amorphous matrix except that some reactive wetting occurs by the formation of TiC particles around the flakes. It reveals that the presence of graphite flakes does not affect the onset of the glass transition temperature, crystallization reaction and liquidus of the metallic glass. The resulting material shows obvious serrated flow and higher fracture strength under room temperature compressive load, comparing with the monolithic bulk metallic glass (BMG). Three types of interaction between the shear bands and graphite flakes, namely, shear band termination, shear bands branching and new shear bands formation near the graphite flakes can be observed by quasi-static uniaxial compression test and bonded interface technique through Vickers indentation.

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.

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.

Kinetics of Glass Transition and Crystallization in Carbon Nanotube Reinforced Mg-Cu-Gd Bulk Metallic Glass

Mg65 Cu25 Gdlo bulk metallic glass and its carbon nanotube reinforced composite were prepared. Differential scanning calorimeter (DSC) was used to investigate the kinetics of glass transition and crystallization processes. The influence of CNTs addition to the glass matrix on the glass transition and crystallization kinetics was studied. It is shown that the kinetic effect on glass transition and crystallization are preserved for both the monothetic glass and its glass composite. Adding CNTs in to the glass matrix reduces the influence of the heating rate on the crystallization process. In addition, the CNTs increase the energetic barrier for the glass transition. This results in the decrease of GFA . The mechanism of the GFA decrease was also discussed.

Cu原子簇触发形核下的深过冷Ag-Ge合金组织演变研究

采用玻璃包覆的方法获得具有较大过冷度的亚共晶、共晶以及过共晶Ag-Ge合金熔体,并通过高能离子束轰击Cu箔产生Cu原子团簇溅射到过冷合金熔体中来触发非均质形核过程.凝固后合金显微组织的分析结果表明:在深过冷合金熔体中引入Cu原子团簇,它对亚共晶、共晶以及过共晶Ag-Ge合金的显微组织演变有着不同的影响效果,分析了显微组织的演变规律与形成机制. The Ag-Ge alloy melts with deeply undercooled hypoeutectic, eutectic and hypereutectic were obtained via glass fluxing technique. The nucleation of the deeply undercooled alloy melts were triggered by atoms cluster sputtering on the surface of the melts. The atoms clusters were generated by an ion beam bombarding on the Cu foil fixed above the alloy melts. The resultant microstructure reveals that the induced atom clusters exert great influence on the microstructural evolution of the highly undercooled eutectic and hypereutectic Ag-Ge alloys, but no obvious influence on the highly undercooled hypoeutectic alloy. The microstructural evolution and formation mechanism were analyzed and discussed.

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.

Cu原子簇触发形核下的深过冷Ag-Ge合金组织演变研究

采用玻璃包覆的方法获得具有较大过冷度的亚共晶、共晶以及过共晶Ag-Ge合金熔体，并通过高能离子束轰击Cu箔产生Cu原子团簇溅射到过冷合金熔体中来触发非均质形核过程。凝固后合金显微组织的分析结果表明：在深过冷合金熔体中引入Cu原子团簇，它对亚共晶、共晶以及过共晶Ag-Ge合金的显微组织演变有着不同的影响效果，分析了显微组织的演变规律与形成机制。