相关论文: Phase separation and surface segregation in ceria-…
Though the martensitic transformation in zirconia has been the object of a very large number of studies for the last decades, qualitative and quantitative observations of the formation and growth of relief induced by low temperature…
This paper deals with the comparison between thermal and Fission Enhanced Diffusion (FED) of uranium into zirconia, representative of the inner face of cladding tubes. The experiments under irradiation are performed at the Institut Laue…
The fabrication of Er-doped ZrO2-based nanocrystalline phase-separated silica optical preforms by the MCVD and solution doping techniques is presented. Fabricated preform cores are nearly transparent and contain phase-separated rare-earth…
We develop a sub-lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the sub-lattice level and incorporates…
We study the thermodynamic behavior of nonpolar liquid mixtures in the vicinity of curved charged objects, such as electrodes or charged colloids. For small enough charge on the object, or equivalently, small potential, the…
Differential thermal analysis has been conducted for the Al-Cu-Co alloys with the composition range of 15 at.% Co and 10 to 30 at.% Cu, and 25 at.% Co and 2.5 to 20 at.% Co. The features of the formation of solid phases have been studied…
Observations by ISO and Spitzer towards young stellar objects (YSOs) showed that CO$_2$ segregates in the icy mantles covering dust grains. Thermal processing of ice mixture was proposed as responsible for the segregation. Although several…
We studied thermochemical characteristics of the Sm1+xBa2-xCu3Oy single crystals by solution calorimetry. Dependences of formation enthalpies from samarium content were constructed. It was established that solid solutions on the bases of…
Hf and Zr nitrides are promising compounds for many technologically important areas, including high temperature structural applications, quantum computing and solar/optical applications. This article reports on a comprehensive…
Phase separation and coarsening is a phenomenon commonly seen in binary physical and chemical systems that occur in nature. Often times, thermal fluctuations, modeled as stochastic noise, are present in the system and the phase segregation…
The long-term performance of yttria-stabilized zirconia (YSZ) based energy and biomedical devices is compromised by low-temperature degradation (LTD). This study presents a novel integration of machine learning-guided hydrothermal aging…
A monolayer of ZrO$_{2}$ has recently been grown on the Si(001) surface and shown to have ferroelectric properties, which signifies the realization of the lowest possible thickness in ferroelectric oxides [M. Dogan et al., Nano Lett., 18…
Understanding the atomic mechanism of low-temperature CO oxidation on a heterogeneous catalyst is challenging. We performed density functional theory (DFT) calculations to identify the surface structure and reaction mechanism responsible…
A simple spin coating approach is introduced to fabricate Yttria-Stabilized Zirconia (YSZ) electrolyte layer on NiO-YSZ anode substrate for solid oxide fuel cell applications. Heating the substrate during the slurry spin coating process…
Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent to thin film processing were calculated. We found that the…
We report the phase diagram of (Ba1-xCax)(Zr0.1Ti0.9)O3 solid solution. It is found that substitution of smaller Ca ions for Ba ions can slightly increase the cubic-tetragonal(T) para-ferroelectric phase transition temperature and strongly…
The cubic Laves phases including YFe$_2$, YCo$_2$, ZrFe$_2$, and ZrCo$_2$ are considered as promising candidates for application in hydrogen storage and magnetic refrigeration. While YFe$_2$ and ZrFe$_2$ are ferromagnets, alloying with Co…
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data is also presented. We focus on the analysis of thermal…
The oxidation of {\alpha}-Ti(0001) surface was studied using density functional theory. In order to enhance the oxidation resistance, we substituted Ti atoms with Si atoms in Ti(0001) surface. We observe that Si prefers to segregate at the…
Understanding surface reactivity is crucial in many fields, going from heterogeneous catalysis to materials oxidation and corrosion. In order to decipher the surface reactions of ZrB2 exposed to the harsh environment of aerospace…