Cold welding of copper nanowires with single-crystalline and twinned structures: A comparison study

In this article, molecular simulations were adopted to explore the cold welding processes of copper nanowires with both single-crystalline and fivefold twinned structures. It was verified that the twinned nanowires exhibited enhanced strength but lowered elastic limit and ductility. Both nanowires could be successfully welded through rather small loadings, although their stress–strain responses toward compression were different. Meanwhile, more stress was accumulated in the twinned nanowire due to repulsive force of the twin boundaries against the nucleation and motions of dislocations. Moreover, by characterizing the structure evolutions in the welding process, it can be ascertained that perfect atomic order was finally built at the weld region in both nanowires. This comparison study will be of great importance to future mechanical processing of metallic nanowires.     

Mechanical property and deformation mechanism of gold nanowire with non-uniform distribution of twinned boundaries:A molecular dynamics simulation study

The mechanical property and deformation mechanism of twinned gold nanowire with non-uniform distribution of twinned boundaries(TBs) are studied by the molecular dynamics(MD) method. It is found that the twin boundary spacing(TBS) has a great effect on the strength and plasticity of the nanowires with uniform distribution of TBs. And the strength enhances with the decrease of TBS, while its plasticity declines. For the nanowires with non-uniform distribution of TBs, the differences in distribution among different TBSs have little effect on the Young's modulus or strength, and the compromise in strength appears. But the differences have a remarkable effect on the plasticity of twinned gold nanowire. The twinned gold nanowire with higher local symmetry ratio has better plasticity. The initial dislocations always form in the largest TBS and the fracture always appears at or near the twin boundaries adjacent to the smallest TBS. Some simulation results are consistent with the experimental results.     

Deformation behaviour of body centered cubic iron nanopillars containing coherent twin boundaries

Molecular dynamics simulations were performed to understand the role of twin boundaries on deformation behaviour of body-centred cubic (BCC) iron (Fe) nanopillars. The twin boundaries varying from 1 to 5 providing twin boundary spacing in the range 8.5–2.8 nm were introduced perpendicular to the loading direction. The simulation results indicated that the twin boundaries in BCC Fe play a contrasting role during deformation under tensile and compressive loadings. During tensile deformation, a large reduction in yield stress was observed in twinned nanopillars compared to perfect nanopillar. However, the yield stress exhibited only marginal variation with respect to twin boundary spacing. On the contrary, a decrease in yield stress with increase in twin boundary spacing was obtained during compressive deformation. This contrasting behaviour originates from difference in operating mechanisms during yielding and subsequent plastic deformation. It has been observed that the deformation under tensile loading was dominated mainly by twin growth mechanism. On the other hand, the deformation was dominated by nucleation and slip of full dislocations under compressive loading. The twin boundaries offer a strong repulsive force on full dislocations resulting in the yield stress dependence on twin boundary spacing. The occurrence of twin–twin interaction during tensile deformation and dislocation–twin interaction during compressive deformation has been discussed.     

A thermally activated dislocation-based constitutive flow model of nanostructured FCC metals involving microstructural evolution

Abstract

Due to their interface and nanoscale effects associated with structural peculiarities of nanostructured, face-centered-cubic (FCC) ultrafine-grained/nanocrystalline (UFG/NC) metals, in particular nanotwinned (NT) metals exhibit unexpected deformation behaviours fundamentally different from their coarse-grained (CG) counterparts. These internal boundaries, including grain boundaries and twin boundaries in UFG/NC metals, strongly interact with dislocations as deformation barriers to enhance the strength and strain rate sensitivity (SRS) of materials on the one hand, and play critical roles in their microstructural evolution as dislocation sources/sinks to sustain plastic deformation on the other. In this work, building on the findings of twin softening and (de)twinning-mediated grain growth/refinement in stretched free-standing NT–Ni foils, a constitutive model based on the thermally activated depinning process of dislocations residing in boundaries has been proposed to predict the steady-state grain size and simulate the plastic flow of NT–Ni, by considering the blocking effects of nanotwins on the absorption of dislocations emitted from boundaries. It is uncovered that the stress ratio (η_stress) of effective-to-internal stress can be taken as a signature to estimate the stability of microstructures during plastic deformation. This model not only reproduces well the plastic flow of the stretched NT–Ni foils as well as reported NT–Cu and the steady-state grain size, but also sheds light on the size-dependent SRS and failure of FCC UFG/NC metals. This theoretical framework offers the opportunity to tune the microstructures in the polycrystalline materials to synthesise high performance engineering materials with high strength and great ductility.     

Polymer-like Behavior of Inorganic Nanoparticle Chain Aggregates

Studies of the behavior of nanoparticle chain aggregates (NCA) have shown properties similar to those of molecular polymers. Like polymer chains, NCA tend to gather up and become more compact when heated. Under tensile stress, folded chain segments pull out and the NCA elongates. When the tension is relaxed, the chains contract. The stretching of NCA may contribute to the ductility of compacts made from nanoparticles, a subject of current research interest. In a well established technological application, carbon black and pyrogenic silica NCA produce remarkable increases in elastic modulus and tensile strength when added to commercial rubber. This may be due to the mechanical interaction between the polymer chains and NCA. However, basic mechanisms of NCA elasticity differ from those of molecular polymers. The alignment of chain segments when the NCA are subjected to tension probably results from rotation and translation at grain boundaries between neighboring nanocrystals. The elastic properties depend on the van der Waals forces between segments of the chain that fold to minimize surface free energy. Under tension, these segments pull out, but tend to reform when the tension is relaxed. The processes that lead to NCA formation and control the strength of interparticle bonds are briefly reviewed.     

Effect of annealing on the microstructure and mechanical properties of ultrafine-grained commercially pure Al

The influence of annealing on the microstructure and mechanical properties of ultrafine-grained (UFG) commercially pure aluminum preliminarily subjected to severe plastic deformation by high pressure torsion has been studied. It is found that annealing of the UFG samples in the temperature range 363–473 K for 1 h leads to increases in the conventional yield strength and ultimate tensile strength, which attained maximum values (50 and 30%, respectively) after annealing at 423 K. A key role of nonequilibrium high-angle grain boundaries in the strengthening effect of UFG-Al due to annealing is discussed. The increase in the strength of UFG-Al is accompanied by a significant decrease in its ductility. A new approach of increasing the ductility of UFG-Al with retaining a high strength is proposed. It is an introduction of additional dislocation density to a UFG structure relaxed by annealing.     

Molecular dynamics simulation of the formation of twin boundaries during agglomeration of nanoparticles

The processes controlling early stages of agglomeration of nanoparticles have been investigated by the molecular dynamics method. It has been established that the formation of boundaries with twin misorientation is the main mechanism of structural relaxation during primary agglomeration of nanoparticles. It has been shown that an increase in the temperature leads to an increase in the number of twin boundaries and that their mutual arrangement depends on the misorientation of the nanoparticles. In the case where twin boundaries are noncoplanar, structure relaxation results in the formation of pentagonal twin boundaries. The role of twinning in the formation of interfaces upon compaction of nanoparticles has been discussed.     

Effect of twin boundary spacing on deformation behavior of nanotwinned magnesium

The effect of twin spacing and temperature on the deformation behavior of nanotwinned magnesium is investigated using molecular dynamics simulation. The results indicate that there is a pronounced shift in the mechanical behavior of nanotwinned magnesium when twin spacing is smaller than 2.9 nm, and that the yield strength decreases with increasing temperature. The results show that at relatively high temperatures, a strength softening can be observed when twin spacing is larger than 7.8 nm. This study demonstrates that the yield strength is associated with the dislocation storage ability of nanotwinned magnesium and the repulsive force between twin boundaries and dislocations.     

Atomistic simulations of effect of hydrogen atoms on mechanical behaviour of an α-Fe with symmetric tilt grain boundaries

The effects of the hydrogen concentration, crystal orientation and grain size on the mechanical properties of an α-Fe bicrystal with symmetric tilt grain boundaries under tensile loading are investigated by molecular dynamics simulation. The results indicate that regardless of crystal orientation, the yield strength of bicrystal α-Fe decreases with the increase of hydrogen concentration. Hydrogen atoms have no influence on the primary dislocation (or twin) nucleation mechanism, but rather influence their multiplication process. The results also show that the degree of hydrogen embrittlement is obviously dependent on the misorientation angle, but it is almost independent of the grain size.     

Strengthening effects of various grain boundaries with nano-spacing as barriers of dislocation motion from molecular dynamics simulations

Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries (GBs), such as low-angle GBs, high-angle GBs, and twin boundaries (TBs). In the present study, a series of large-scale molecular dynamics simulations with spherical nanoindentation and carefully designed model were conducted to investigate and compare the strengthening effects of various GBs with nano-spacing as barriers of dislocation motion. Simulation results showed that high-angle twist GBs and TBs are similar barriers and low-angle twist GBs are less effective in obstructing dislocation motion. Corresponding atomistic mechanisms were also given. At a certain indentation depth, dislocation transmission and dislocation nucleation from the other side of boundaries were observed for low-angle twist GBs, whereas dislocations were completely blocked by high-angle twist GBs and TBs at the same indentation depth. The current findings should provide insights for comprehensive understanding of the strengthening effects of various GBs at nanoscale.     

Influence of the reversible α–ε phase transition and preliminary shock compression on the spall strength of armco iron

Full wave profiles are used to determine the Hugoniot elastic limit and the spall strength of armco iron samples with an as-received structure and the samples recovered after preliminary loading by plane shock waves with an amplitude of 8, 17, and 35 GPa. The measurements are performed at a shock compression pressure below and above the polymorphic a–e transition pressure. Metallographic analysis of the structure of armco iron shows that a developed twinned structure forms inside grains in the samples subjected to preliminary compression and recovered and that the twin concentration and size increase with the shock compression pressure. The spall strength of armco iron under shock loading below the phase transition pressure increases by approximately 10% due to its preliminary deformation twinning at the maximum shock compression pressure. The spallation of samples with various structures at a shock compression pressure above the phase transition proceeds at almost the same tensile stresses. The polymorphic transition in armco iron weakly affects its strength characteristics.     

Preparation of functionalized platinum nanoparticles: a comparison of different methods and reagents

Au–Pd core–shell nanocubes and triangular nanoparticles were systematically synthesized from a few Pd layers up to fully grown morphologies by a modified seed-mediated growth method. The shape evolution of Au–Pd core–shell nanoparticles from single crystal and singly twinned seed to final concave nanocube and triangular plates are presented at atomic level by Cs-corrected scanning transmission electron microscopy (STEM). The growth mechanism of both morphologies was studied throughout different sizes. It was found that the concave nanocubes grew from octahedral Au seeds due to fast growth along 〈111〉 directions; while the triangular nanoparticles grew from singly twinned Au seeds, growing twice as fast in 〈110〉 directions along the twin boundary; compared to the 〈111〉 direction perpendicular to the twin boundary. Both the concave nanocubes and triangular nanoparticles presented high index facet (HIF) surfaces that will increase the catalytic activity of different reactions.     

Plasticity and strength of FCC metals with a nanotwinned submicrograined structure

The plasticizing and hardening effects associated with the existence of nanotwins with a density 1/λ (where λ is the average size (thickness) of nanotwin lamellae) in a submicrograined structure of fcc metals have been theoretically discussed in the framework of the dislocation-kinetics approach. The strength of the nanotwinned submicrocrystalline structure, which is increased as compared to the initial submicron structure, is determined, as in the case of nanograin boundaries, by the action of nanotwin boundaries as sources and barriers for moving dislocations that provide the normal Hall-Petch effect for the flow stress σ ∼ γ^−1/2. The inverse Hall-Petch effect σ ∼ γ ^p (where p > 0), as in the case of nanograin boundaries, is associated with the dislocation absorption by the twin boundaries. The related increased strain-rate sensitivity of the flow stresses is responsible for the significant increase in the uniform strain (from 2–3 to 8–9% in the case of nanotwinned copper) during tension of the specimens with nanotwinned submicrograined structures with retaining a high strength of the material.     

Functional twin boundaries

Functional interfaces are at the core of research in the emerging field of ‘domain boundary engineering’ where polar, conducting, chiral, and other interfaces and twin boundaries have been discovered. Ferroelectricity was found in twin walls of paraelectric CaTiO₃. We show that the effect of functional interfaces can be optimized if the number of twin boundaries is increased in densely twinned materials. Such materials can be produced by shear in the ferroelastic phase rather than by rapid quench from the paraelastic phase.     

Energy barriers associated with slip–twin interactions

The energetics of slip–coherent twin boundary (CTB) interactions are established under tensile deformation in face centered cubic (fcc) copper with molecular dynamics simulations, exploring the entire stereographic triangle. The CTBs serve as effective barriers in some crystal orientations more than others, consistent with experimental observations. The resulting dislocation structures upon slip–twin reactions are identified in terms of Burgers vector analysis. Visualization of the dislocation transmission, lock formation, dislocation incorporation to twin boundaries, dislocation multiplication at the matrix–twin interface and twin translation, growth, and contraction behaviors cover the most significant reactions that can physically occur providing a deeper understanding of the mechanical behavior of fcc alloys in the presence of twin boundaries. The results make a distinction between deformation and annealing twins interacting with incident dislocations and point to the considerable role both types of twins can play in strengthening of fcc metals.     

In situ and tomographic analysis of dislocation/grain boundary interactions in α-titanium

In situ straining in the transmission electron microscope and diffraction-contrast electron tomography have been applied to the investigation of dislocation/grain boundary and dislocation/twin boundary interactions in α-Ti. It was found that, similar to FCC materials, the transfer of dislocations across grain boundaries is governed primarily by the minimization of the magnitude of the Burgers vector of the residual grain boundary dislocation. That is, grain boundary strain energy density minimization determines the selection of the emitted slip system.     

SEM Investigation of the electrical properties of silicon ribbons

The structure and electrical properties of silicon ribbons grown on a substrate by the Ribbon Growth on Substrate (RGS) method method for solar cell applications have been investigated in secondary electron and electron beam induced current modes of scanning electron microscopy. The growth method and growth conditions have provided the formation of the coarse-grained structure of silicon, in which the majority of grains are separated by twin boundaries and the dislocation density does not exceed 10⁶ cm⁻². According to the electron beam induced current investigations, the recombination contrast from twin boundaries is extremely low at 300 K, only a small amount of twin boundaries show an increase in the contrast upon cooling, and the contrast from dislocations is almost absent in the temperature range from 100 to 300 K.     

The investigation of multiply twinned L10-type FePt nanoparticles by transmission electron microscopy

Thin films of FePt nanoparticles were prepared by co-deposition of Fe and Pt on to amorphous C films kept at 350°C. As-prepared films were composed of disordered Fe–Pt nanoparticles with a fcc structure, where twinned and multiply twinned Fe–Pt nanoparticles could be identified by transmission electron microscopy (TEM) and electron diffraction. Atomic ordering from fcc to L1₀ structure was followed by in-situ TEM observation during heating up to 750°C. Multiply twinned (fivefold) nanoparticles of the L1₀ FePt were observed for the first time by high-resolution TEM observation. In these nanoparticles the crystallographic c axes of L1₀ structure is oriented parallel to the film plane in each segment. The stability of the fivefold FePt nanoparticles is briefly discussed.     

Characterization of twinning in electrodeposited Ni–Mn alloys

Twinning is ubiquitous in electroplated metals. Here, we identify and discuss unique aspects of twinning found in electrodeposited Ni–Mn alloys. Previous reports concluded that the twin boundaries effectively refine the grain size, which enhances mechanical strength. Quantitative measurements from transmission electron microscopy (TEM) images show that the relative boundary length in the as-plated microstructure primarily comprises twin interfaces. Detailed TEM characterization reveals a range of length scales associated with twinning beginning with colonies (～1000?nm) down to the width of individual twins, which is typically <50?nm. We also consider the connection between the crystallographic texture of the electrodeposit and the orientation of the twin planes with respect to the plating direction. The Ni–Mn alloy deposits in this work possess a {110}-fiber texture. While twinning can occur on {111} planes either perpendicular or oblique to the plating direction in {110}-oriented grains, plan-view TEM images show that twins form primarily on those planes parallel to the plating direction. Therefore, grains enclosed by twins and multiply twinned particles are produced. Another important consequence of a high twin density is the formation of large numbers of twin-related junctions. We measure an area density of twin junctions that is comparable to the density of dislocations in a heavily cold-worked metal.