Related papers: Ni coarsening in the three-phase solid oxide fuel …
The effect of heavy tar compounds on the performance of a Ni-YSZ anode supported solid oxide fuel cell was investigated. Both toluene and naphthalene were chosen as model compounds and tested separately with a simulated bio-syngas. Notably,…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
Solid oxide fuel cells (SOFCs) are becoming increasingly important due to their high electrical efficiency, the flexible choice of fuels and relatively low emissions of pollutants. However, the increasingly growing demands for…
We present a kinetic model for solid state phase transformation (alpha<-->beta) of common zirconium alloys used as fuel cladding material in light water reactors. The model computes the relative amounts of beta or alpha phase fraction as a…
Recently, the possibility of a low-temperature non-cubic phase in BaZrO$_3$ has generated engaging discussions about its true ground state and the consequences on its physical properties. In this paper, we investigate the microscopic…
Yttria-stabilized zirconia (YSZ), a ZrO2-Y2O3 solid solution that contains a large population of oxygen vacancies, is widely used in energy and industrial applications. Past computational studies correctly predicted the anion diffusivity…
Identifying the loss mechanisms of niobium cavities enables an accurate determination of applications for future accelerator projects and points to research topics required to mitigate current limitations. For several cavities an increasing…
Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…
A first-principles-derived approach is used to study structural, piezoelectric and dielectric properties of Pb(Zr_{1-x}Ti_{x})O_{3} (PZT) solid solutions near the morphotropic phase boundary at low temperature. Three ferroelectric phases…
The aging behavior of 3-mol%-yttria-stabilized tetragonal zirconia (3Y-TZP) ceramics sintered in air and in reducing conditions was investigated at 140{\deg}C in water vapor. It was observed by X-ray diffraction (XRD) that 3Y-TZP samples…
Molecular dynamics (MD) is employed to investigate the plastic deformation mechanisms of single crystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars under uniaxial compression. Simulation results show that the nanoscale…
The recently developed refractory multi-principle element alloy (MPEA), AlMo$_{0.5}$NbTa$_{0.5}$TiZr, shows an interesting microstructure with cuboidal precipitates of a disordered phase (${\beta}$, bcc) coherently embedded in an ordered…
Surfaces sputtered by ion beam bombardment have been known to exhibit patterns whose behavior is modeled with stochastic partial differential equations. A widely accepted model is the Cuerno-Barabasi model which is robust in its predictions…
Phase-field simulation (PFS) have revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on solution of a (set) of Ginzburg-Landau equations for a…
In the present paper, the analysis of polishing, grinding and sand-blasting processes on oxidation behavior of nickel, copper and nickel-copper alloy has been investigated. Surface roughness has been measured using two methods: by contact…
We investigate the irregular eutectic growth dynamics of the Al-Al3Ni alloy, in which one of the solid phases (Al3Ni) grows faceted from the liquid. Leveraging in situ optical microscopy and synchrotron transmission x-ray microscopy, we…
Instability of a binary eutectic solidification front to morphological perturbations due to rejection of a ternary impurity leads to the formation of eutectic colonies. Whereas, the instability dynamics and the resultant mi- crostructural…
Nanopores (NPs) grown by anodizing can be partially hidden beneath a relatively compact surface oxide layer, which limits the volumetric surface area of these nanostructures. In this work, nitinol (NiTi) alloy was anodized in an electrolyte…
The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…
We study the evolution of prior columnar $\beta$ phase, interface $L$ phase, and $\alpha$ phase during directional solidification of a Ti-6Al-4V melt pool. Finite element simulations estimate the solidification temperature and velocity…