This research focuses on the characterization of the structure and mechanical behavior of metal nanowires. Molecular dynamics simulations with embedded-atom method (EAM) potentials are used. A novel shape memory effect and pseudoelastic behavior of single-crystalline FCC metal (Cu, Ni, and Au) nanowires are discovered. Specifically, upon tensile loading and unloading, these wires can recover elongations of up to 50%, well beyond the recoverable strains of 5-8% typical for most bulk shape memory alloys. This novel behavior arises from a reversible lattice reorientation driven by the high surface-stress-induced internal stresses at the nanoscale. It exists over a wide range of temperature and is associated with response times on the order of nanoseconds, making the nanowires attractive functional components for a new generation of biosensors, transducers, and interconnects in nano-electromechanical systems. It is found that this novel shape memory behavior only exists at the nanometer scale but not in bulk metals. The reason is that only at the nanoscale is the surface-stress-induced driving force large enough to initiate the transformation. The lattice reorientation process is also temperature-dependent because thermal energy facilitates the overcoming of the energy barrier for the transformation. Therefore, nanowires show either pseudoelasticity or shape memory effect depending on whether the transformation is induced by unloading or heating. It is also found that not all FCC nanowires show shape memory behavior. Only FCC metals with higher tendency for twinning (such as Cu, Au, Ni) show the shape memory because twinning leads to the reversible lattice reorientation. On the other hand, FCC metals with low likelihood of twinning (such as Al) do not show shape memory because these wires deforms via crystal slip, which leads to irreversible deformation. A micromechanical continuum model is developed to characterize the shape memory behavior observed. This model treats the lattice reorientation process as a smooth transition between a series of phase-equilibrium states superimposed with a dissipative twin boundary propagation process. This model captures the major characteristics of the unique behavior due to lattice reorientation and accounts for the size and temperature effects, yielding results in excellent agreement with the results of molecular dynamics simulations.

Possessing unique thermomechanical properties, the discovery of nickel-titanium shape memory alloys (SMAs) has sprouted a plethora of applications in various fields, including aerospace, automotive, microelectronics, and medical devices. Due to its excellent biocompatibility and its ability to mimic biological forces, the medical implant industry has shown strong interest in expanding the application of NiTi SMAs. However, traditional SMA functional properties are limited by a single set of thermomechanical characteristics in a monolithic component. Past efforts in overcoming this limitation have had little success until recently with the invention of the multiple memory material (MMM) processing technology. This novel processing technology enables multiple functional responses through the augmentation of local microstructure and composition using a high power density source such as a laser. This thesis presents an investigation of the effect of laser processing on pseudoelastic behaviour and corrosion response of medical grade SMAs.

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L’Alliage à Mémoire de Forme (AMF) est un matériau intelligent ayant de nombreuses applications dans l'industrie aérospatiale, le génie civil, ainsi que dans le domaine biomédical. Dans toutes ces applications, le matériau est soumis à un chargement cyclique ce qui le rend vulnérable vis-à-vis du phénomène de la fatigue. Une des questions importantes dans l'étude de la fatigue de l’AMF polycristallin est l'interaction entre l’endommagement local et la transformation de phase martensitique; cette transformation se déroule dans un mode homogène macroscopique ou un mode hétérogène se traduisant par la formation de bandes de Lüders en raison de la localisation de la déformation et du changement de phase. La formation et l'évolution de ces bandes influence fortement les mécanismes physiques de déformation ainsi que l’endommagement par fatigue du matériau. Dans la littérature, on ne trouve pas d’études permettant de faire le lien entre la formation et l’évolution des bandes de localisation et la fatigue du matériau. Dans cette thèse, des expériences systématiques de fatigue en traction sont réalisées sur les éprouvettes pseudo-élastiques du Nickel-Titane avec des observations optiques in-situ de l’évolution des macro-bandes. Ces observations ont permis de retracer l'histoire de la déformation locale dans les zones où la rupture se produit. Ces résultats expérimentaux permettent de mieux comprendre le comportement de fatigue ainsi que sa dépendance par rapport à la contrainte appliquée ainsi que la fréquence du chargement. En particulier, il a été prouvé que la déformation locale résiduelle représente un meilleur indicateur de l’endommagement du matériau que la déformation résiduelle nominale/globale de la structure. / Shape Memory Alloy (SMA) is a typical smart material having many applications from aerospace industry, mechanical and civil engineering, to biomedical devices, where the material’s fatigue is a big concern. One of the challenging issues in studying the fatigue behaviors of SMA polycrystals is the interaction between the material damage and the martensitic phase transformation which takes place in a macroscopic homogeneous mode or a heterogeneous mode (forming macroscopic patterns (Lüders-like bands) due to the localized deformations and localized heating/cooling). Such pattern formation and evolution imply the governing physical mechanisms in the material system such as the fatigue process, but there is still no fatigue study of SMAs by tracing the macro-band patterns and the local material responses. To bridge this gap, systematic tensile fatigue experiments are conducted on pseudoelastic NiTi polycrystalline strips by in-situ optical observation on the band-pattern evolutions and by tracing the deformation history of the cyclic phase transformation zones where fatigue failure occurs. These experimental results help to better understand the stress- and frequency-dependent fatigue behaviors. Particularly, it is found that the local residual strain rather than the structural nominal/global residual strain is a good indicator on the material’s damage leading to the fatigue failure, which is important for understanding and modeling the fatigue process in SMAs.

The exciting thermomechanical properties of nickel-titanium shape memory alloys have sparked significant research efforts seeking to exploit their exotic capabilities. Until recently, the performance capabilities of nickel-titanium devices have been inhibited by the retention of only one thermomechanical characteristic. However, laser processing technology promises to deliver enhanced material offerings which are capable of multiple functional responses. Presented in this thesis, is an investigation of the effects of laser processing on the thermomechanical behaviour of nickel-titanium shape memory alloys. In the context of this work, laser processing refers to removal of alloy constituents, as in the case of laser ablation, or alternatively, addition of elements through laser alloying. The effects of laser ablation on the composition, crystallography and phase transformation temperatures of a nickel-titanium strip have been studied. Application of laser energy was shown to ablate nickel constituents, induce an austenite-martensite phase change and cause an increase in phase transformation onset temperatures, which correlated well with reported findings. Laser processing of a nickel-titanium wire was shown to locally embed an additional thermomechanical response which manifested as unique shape memory and pseudoelastic properties. Localized alloying of ternary species via laser processing of nickel-titanium strip was investigated. Synthesis of a ternary shape memory intermetallic within the laser processing region was achieved through melting of copper foils. Results from thermoanalytical testing indicated that the ternary compound possessed a higher phase transformation temperature and reduced transformation hysteresis in comparison to the reference alloy. Indentation testing was used to demonstrate the augmented thermomechanical characteristics of the laser processed shape memory alloy. In order to demonstrate the enhanced functionality of laser processed nickel-titanium shape memory alloys, a self-positioning nickel-titanium microgripper was fabricated. The microgripper was designed to actuate through four different positions, corresponding to activation of three embedded shape memory characteristics. Thermoanalytical and tensile testing instrumentations were used to characterize the thermomechanical performance of the laser processed nickel-titanium microgripper. Results indicated that each of the laser processed microgripper components possessed unique mechanical and shape memory recovery properties.

Previous experimental observations have shown that the pseudoelastic response of NiTi shape memory alloys (SMA) is localized in nature and proceeds through nucleation and propagation of localized deformation bands. It has also been observed that the mechanical response of SMAs is strongly affected by loading rate and cyclic degradation. These behaviors significantly limit the accurate modeling of SMA elements used in various devices and applications. The aim of this work is to provide engineers with a constitutive model that can accurately describe the dynamic, unstable pseudoelastic response of SMAs, including their cyclic response, and facilitate the reliable design of SMA elements. A 1-D phenomenological model is developed to simulate the localized phase transformations in NiTi wires during both loading and unloading. In this model, it is assumed that the untransformed particles located close to the transformed regions are less stable than those further away from the transformed regions. By consideration of the thermomechanical coupling among the stress, temperature, and latent heat of transformation, the analysis can account for strain-rate effects. Inspired by the deformation theory of plasticity, the 1-D model is extended to a 3-D macromechanical model of localized unstable pseudoelasticity. An important feature of this model is the reorientation of the transformation strain tensor with changes in stress tensor. Unlike previous modeling efforts, the present model can also capture the propagation of localized deformation during unloading. The constitutive model is implemented within a 2-D finite element framework to allow numerical investigation of the effect of strain rate and boundary conditions on the overall mechanical response and evolution of localized transformation bands in NiTi strips. The model successfully captures the features of the transformation front morphology, and pseudoelastic response of NiTi strip samples observed in previous experiments. The 1-D and 3-D constitutive models are further extended to include the plastic deformation and degradation of material properties as a result of cyclic loading.

The exciting thermomechanical properties of nickel-titanium shape memory alloys have sparked significant research efforts seeking to exploit their exotic capabilities. Until recently, the performance capabilities of nickel-titanium devices have been inhibited by the retention of only one thermomechanical characteristic. However, laser processing technology promises to deliver enhanced material offerings which are capable of multiple functional responses. Presented in this thesis, is an investigation of the effects of laser processing on the thermomechanical behaviour of nickel-titanium shape memory alloys. In the context of this work, laser processing refers to removal of alloy constituents, as in the case of laser ablation, or alternatively, addition of elements through laser alloying. The effects of laser ablation on the composition, crystallography and phase transformation temperatures of a nickel-titanium strip have been studied. Application of laser energy was shown to ablate nickel constituents, induce an austenite-martensite phase change and cause an increase in phase transformation onset temperatures, which correlated well with reported findings. Laser processing of a nickel-titanium wire was shown to locally embed an additional thermomechanical response which manifested as unique shape memory and pseudoelastic properties. Localized alloying of ternary species via laser processing of nickel-titanium strip was investigated. Synthesis of a ternary shape memory intermetallic within the laser processing region was achieved through melting of copper foils. Results from thermoanalytical testing indicated that the ternary compound possessed a higher phase transformation temperature and reduced transformation hysteresis in comparison to the reference alloy. Indentation testing was used to demonstrate the augmented thermomechanical characteristics of the laser processed shape memory alloy. In order to demonstrate the enhanced functionality of laser processed nickel-titanium shape memory alloys, a self-positioning nickel-titanium microgripper was fabricated. The microgripper was designed to actuate through four different positions, corresponding to activation of three embedded shape memory characteristics. Thermoanalytical and tensile testing instrumentations were used to characterize the thermomechanical performance of the laser processed nickel-titanium microgripper. Results indicated that each of the laser processed microgripper components possessed unique mechanical and shape memory recovery properties.

Previous experimental observations have shown that the pseudoelastic response of NiTi shape memory alloys (SMA) is localized in nature and proceeds through nucleation and propagation of localized deformation bands. It has also been observed that the mechanical response of SMAs is strongly affected by loading rate and cyclic degradation. These behaviors significantly limit the accurate modeling of SMA elements used in various devices and applications. The aim of this work is to provide engineers with a constitutive model that can accurately describe the dynamic, unstable pseudoelastic response of SMAs, including their cyclic response, and facilitate the reliable design of SMA elements. A 1-D phenomenological model is developed to simulate the localized phase transformations in NiTi wires during both loading and unloading. In this model, it is assumed that the untransformed particles located close to the transformed regions are less stable than those further away from the transformed regions. By consideration of the thermomechanical coupling among the stress, temperature, and latent heat of transformation, the analysis can account for strain-rate effects. Inspired by the deformation theory of plasticity, the 1-D model is extended to a 3-D macromechanical model of localized unstable pseudoelasticity. An important feature of this model is the reorientation of the transformation strain tensor with changes in stress tensor. Unlike previous modeling efforts, the present model can also capture the propagation of localized deformation during unloading. The constitutive model is implemented within a 2-D finite element framework to allow numerical investigation of the effect of strain rate and boundary conditions on the overall mechanical response and evolution of localized transformation bands in NiTi strips. The model successfully captures the features of the transformation front morphology, and pseudoelastic response of NiTi strip samples observed in previous experiments. The 1-D and 3-D constitutive models are further extended to include the plastic deformation and degradation of material properties as a result of cyclic loading.

Previous experimental observations have shown that the pseudoelastic response of NiTi shape memory alloys (SMA) is localized in nature and proceeds through nucleation and propagation of localized deformation bands. It has also been observed that the mechanical response of SMAs is strongly affected by loading rate and cyclic degradation. These behaviors significantly limit the accurate modeling of SMA elements used in various devices and applications. The aim of this work is to provide engineers with a constitutive model that can accurately describe the dynamic, unstable pseudoelastic response of SMAs, including their cyclic response, and facilitate the reliable design of SMA elements. A 1-D phenomenological model is developed to simulate the localized phase transformations in NiTi wires during both loading and unloading. In this model, it is assumed that the untransformed particles located close to the transformed regions are less stable than those further away from the transformed regions. By consideration of the thermomechanical coupling among the stress, temperature, and latent heat of transformation, the analysis can account for strain-rate effects. Inspired by the deformation theory of plasticity, the 1-D model is extended to a 3-D macromechanical model of localized unstable pseudoelasticity. An important feature of this model is the reorientation of the transformation strain tensor with changes in stress tensor. Unlike previous modeling efforts, the present model can also capture the propagation of localized deformation during unloading. The constitutive model is implemented within a 2-D finite element framework to allow numerical investigation of the effect of strain rate and boundary conditions on the overall mechanical response and evolution of localized transformation bands in NiTi strips. The model successfully captures the features of the transformation front morphology, and pseudoelastic response of NiTi strip samples observed in previous experiments. The 1-D and 3-D constitutive models are further extended to include the plastic deformation and degradation of material properties as a result of cyclic loading. / Applied Science, Faculty of / Mechanical Engineering, Department of / Graduate

ZnO nanowires and nanorods are a new class of one-dimensional nanomaterials with a wide range of applications in NEMS. The motivation for this work stems from the lack of understanding and characterization of their thermomechanical behaviors essential for their incorporation in nanosystems. The overall goal of this work is to develop a fundamental understanding of the mechanisms controlling the responses of these nanostructures with focus on: (1) development of a molecular dynamics based framework for analyzing thermomechanical behaviors, (2) characterization of the thermal and mechanical behaviors in ZnO nanowires and (3) development of models for pseudoelasticity and thermal conductivity. The thermal response analyses show that the values of thermal conductivity are one order of magnitude lower than that for bulk ZnO due to surface scattering of phonons. A modified equation for phonon radiative transport incorporating the effects of surface scattering is used to model the thermal conductivity as a function of wire size and temperature. Quasistatic tensile loading of wires show that the elastic moduli values are 68.2-27.8% higher than that for bulk ZnO. Previously unknown phase transformations from the initial wurtzite (WZ) structure to graphitic (HX) and body-centered-tetragonal (BCT-4) phases are discovered in nanowires which lead to a more complete understanding of the extent of polymorphism in ZnO and its dependence on load triaxiality. The reversibility of the WZ-to-HX transform gives rise to a novel pseudoelastic behavior with recoverable strains up to 16%. A micromechanical continuum model is developed to capture the major characteristics of the pseudoelastic behavior accounting for size and temperature effects. The effect of the phase transformations on the thermal properties is characterized. Results obtained show that the WZ→HX phase transformation causes a novel transition in thermal response with the conductivity of HX wires being 20.5-28.5% higher than that of the initial WZ-structured wires. The results obtained here can provide guidance and criteria for the design and fabrication of a range of new building blocks for nanometer-scale devices that rely on thermomechanical responses.