Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “supercell”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

308 records · Page 18

Large Area Transfer of Bismuth‐Based Layered Oxide Thin Films Using a Flexible Polymer Transfer Method

Magnetic and ferroelectric oxide thin films have long been studied for their applications in electronics, optics, and sensors. The properties of these oxide thin films are highly dependent on the film growth quality and conditions. To maximize the film quality, epitaxial oxide thin films are frequently grown on single-crystal oxide substrates such as strontium titanate (SrTiO 3 ) and lanthanum aluminate (LaAlO 3 ) to satisfy lattice matching and minimize defect formation. However, these single-crystal oxide substrates cannot readily be used in practical applications due to their high cost, limited availability, and small wafer sizes. One leading solution to this challenge is film transfer. In this demonstration, a material from a new class of multiferroic oxides is selected, namely bismuth-based layered oxides, for the transfer. A water-soluble sacrificial layer of Sr 3 Al 2 O 6 is inserted between the oxide substrate and the film, enabling the release of the film from the original substrate onto a polymer support layer. The films are transferred onto new substrates of silicon and lithium niobate (LiNbO 3 ) and the polymer layer is removed. These substrates allow for the future design of electronic and optical devices as well as sensors using this new group of multiferroic layered oxide films.

36 MATERIALS SCIENCE↗

Computational exploration of biomedical HfNbTaTiZr and Hf 0.5 Nb 0.5 Ta 0.5 Ti 1.5 Zr refractory high-entropy alloys

Refractory high entropy alloys (RHEAs) have been proven to be a potential candidate in the biomedical field due to their balanced mechanical properties and biocompatible composition. Recent experimental findings show that RHEAs like HfNbTaTiZr and Hf 0.5 Nb 0.5 Ta 0.5 Ti 1.5 Zr have good mechanical properties such as high polarization and wear resistance than others which establish them as potential materials for biomedical application. In this work, we performed first-principles density functional theory calculations on the mechanical and thermal properties of HfNbTaTiZr and Hf 0.5 Nb 0.5 Ta 0.5 Ti 1.5 Zr. The predicted lattice constant, density, Young's modulus, and Vickers hardness are consistent with the available experimental report, which verifies the accuracy of the applied model. The thermal coefficient of linear expansion of both RHEAs has been investigated by utilizing the Debye theory. The present methods could be applied to study other future RHEAs on exploration of their physical properties.

36 MATERIALS SCIENCE↗