Related papers: Localization of Yttrium Segregation within YSZ Gra…
Elements with low thermal neutron absorption cross-sections are ideal for enhancing structural materials in nuclear systems. In this study, We systematically investigate the segregation and co-segregation behaviors of eleven elements at the…
Yttrium and its alloys are promising materials for high-tech applications, particularly in aerospace and nuclear reactors. The doping of metallic elements at grain boundaries can significantly influence the stability, strength, and…
In this paper, the origin of the threshold stress in pure 3 mol %-yttria tetragonal zirconia polycrystals (YTZP) is analysed in detail. At this regard, the two explanations reported in literature are discussed thoroughly. One of them…
Knowing the correlation between grain boundary mobility and oxygen potential in yttria stabilized zirconia (YSZ), we have utilized the grain size as a microstructural marker to map local oxygen potential. Abrupt oxygen potential transition…
The electrochemical reactions of solid oxide fuel cells occur in the region where gas-phase species, electrode, and electrolyte coincide. When the electrode is an ionic insulator and the electrolyte is an electronic insulator, this `triple…
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…
It is now widely accepted that grain boundaries play a critical role in the performance and reliability of solid-state batteries with lithium metal anodes. Understanding and controlling grain boundaries is essential for enabling safe,…
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…
The development of sustainable transportation and communication systems requires an increase in both energy density and capacity retention of Li-batteries. Using substrates forming a solid solution with body centered cubic Li enhances the…
This study demonstrates that a space charge layer is formed on dislocation during mechanical deformation at elevated temperature. High density of dislocation lines is generated in bulk single crystalline Y2O3 stabilized ZrO2 (YSZ) by…
Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…
We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary potential of -1.3 V. Electron energy loss spectroscopy analyses…
The embrittlement of metallic alloys by liquid metals leads to catastrophic material failure and severely impacts their structural integrity. The weakening of grain boundaries by the ingress of liquid metal and preceding segregation in the…
Doping is the most common strategy employed in the development of new and improved materials. However, predicting the effects of doping on the atomic-scale structure of a material is often difficult or limited to high-end experimental…
Dense and mesoporous 4% mol Yttria-stabilized zirconia thin films were deposited on amorphous silica substrates. The effects of the temperature on the mesostructure were analyzed, by applying different thermal treatments to the samples…
The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…
Grain boundary complexions have been observed to affect the mechanical behavior of nanocrystalline metals, improving both strength and ductility. While an explanation for the improved ductility exists, the observed effect on strength…
Solid electrolytes for solid-state Li-ion batteries are stimulating considerable interest for next-generation energy storage applications. The Li$_7$La$_3$Zr$_2$O$_{12}$ garnet-type solid electrolyte has received appreciable attention as a…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
The biggest challenge for the commercialization of layered structured nickel rich lithium transition metal oxide cathode is the capacity and voltage fading. Resolving this problem over the years follows an incremental progress. In this…