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Showing 1 to 17 of 17 for “"FCC Metals"”.
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Thermal and Mechanical Stability of Nanograined FCC Metals
The results of these in situ transmission electron microscopy annealing and straining experiments provide clarification of some of the mechanisms operating during the microstructural evolution of nanograined face-centered cubic free-standing thin films under thermal and mechanical loading, while …
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Structural Evolution in the Dynamic Plasticity of FCC Metals
Above true strain rates of $10^4$ s$^{-1}$ FCC metals exhibit a rapid increase in strength. Understanding of the physical mechanisms behind this strength transition is hindered by the number and interdependence of candidate mechanisms. Broadly, contributions to strength can be split into …
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The microstructural evolution of fatigue cracks in FCC metals
… in a variety of planar and wavy slip FCC metals. The planar materials included Haynes 230, Nitronic 40, and 316 stainless steel, and the wavy materials included pure nickel and pure copper. Three different sets of experiments were performed to fully characterize the microstructural …
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Dislocation -Defect Interactions in Irradiated and Quenched FCC Metals
The experimental results are combined with atomistic simulations of the interaction of partial dislocations with defects in copper to form the basis for a new dispersed-barrier hardening crystal plasticity model that predicts the important features of the mechanical response of irradiated materials.
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Phonon spectra and thermal properties of some fcc metals using embedded-atom potentials /
… and phonon dispersion curves for six fee metals (Cu,Ag,Au,Ni,Pd and Pt). We have also investigated, within the quasiharmonic approximation, some other thermal properties of these metals which depend on the phonon density of states, such as the temperature dependence of lattice constant, …
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Application of [Lambda] to the fourth perturbation theory in calculating the equation of state of rare gas solids and fcc metals
… the thermodynamic properties of monatomic fcc crystals from the high temperature limit of the Helmholtz free energy. This equation of state included the static and vibrational energy components. The latter contribution was calculated to order A4 of perturbation theory, for a range of …
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A Novel Shape Memory Behavior of Single-crystalline Metal Nanowires
… 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 …
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ON DEFORMATION STABILITY AND DUCTILE DAMAGE IN NANOTWINNED METALS
… finite element framework for nanotwinned FCC metals, which accounts for slip gradients that are intrinsically coupled to TB migration. Using this framework, we extract intricate coupling between rates of TB migration and twin size, load orientation and the energy barrier of dislocation-TB …
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Shear-induced homogeneous deformation twinning in FCC aluminum and copper via automistic simulation
… behavior for face-centered cubic (fcc) metals, aluminum and copper, is calculated using empirical potentials proposed by Mishin and by Ercolessi, based on the embedded atom method (EAM), and compared with published ab initio calculations. In copper close agreement is observed in the …
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Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel
… of deformation and intergranular fracture in FCC metals. Two types of samples were utilized: a sample with columnar grains consisting of pure <110> tilt boundaries and a thin-film sample with 3D grain orientations modeled after an experimental sample of austenitic steel. The structure and …
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Advancing computational materials design and model development using data-driven approaches
… systems and coarse-grained models for FCC metals, the study progresses into exploring the intricate interfacial interactions between 2D materials like graphene, MoS2, and water. Current state-of-the-art model development faces the challenge of high dimensional input parameters' model …
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Deformation Mechanisms in Pd Nanowhiskers
… of δ in our nanowhiskers with studies on bulk FCC metals lends further insight into the role of length scales on both elastic and plastic mechanical behavior. We then consider incipient plasticity in nanoscale Pd nanowhiskers, which is governed not by the initial motion of pre-existing …
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Direct oxidation of methane to methanol
… against methane is investigated for a variety of fcc metals. It is found that methanol as a reactant is consistently more reactive for C-H activation, C-O coupling, and C-OH coupling. As methane and methanol have different affinities for water, the effect of an aqueous environment on the …
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An advanced perspective on twin growth in nickel-titanium
… boundary interactions in a face centered cubic (fcc) metal (Copper) that contributes to strengthening is investigated. Density Functional Theory based ab initio calculation and Molecular dynamics (MD) correspond to the right length and time scale for these events, and utilized in this study. The …
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Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation
… deformation of grain boundaries and surfaces in metals under different configurations and loading procedures. Stress and strain localization phenomena are investigated at plastically deformed boundaries in axially strain thin film samples. Joint experimental and modelling work showed increased …
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Development of advanced numerical algorithms for kinetic and dynamic simulations of irradiated systems : kinetic Monte Carmelo and dislocation dynamics
… between them. The algorithm has been applied to fcc systems. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stack¬ing faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions …
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Controlling the Synthesis of Plasmonic Magnesium Nanoparticles and Understanding Crystal Structures Beyond Face-Centred Cubic
… technology is dominated by face centred cubic (FCC) metals, including Au, Ag and Pd. In this thesis, the synthesis and NP shapes of non-FCC nanocrystals are studied. First, the synthesis of hexagonal close packed (HCP) Mg NPs, an earth-abundant plasmonic material, is investigated. The NP shapes …