Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1161318

Strained ionic interfaces: Effect on oxygen diffusivity from atomistic simulations

Aidhy, Dilpuneet S.·Zhang, Y.·Weber, William
View original source ↗Export metadata ↓

Also available from

Abstract

The source did not provide an abstract. Follow the original record for more information.

Explore related subjects

nuclear (including radiation effects), materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Aidhy, Dilpuneet S., Zhang, Y., Weber, William. 2014-02-27. Strained ionic interfaces: Effect on oxygen diffusivity from atomistic simulations. https://doi.org/10.1021/jp411277q

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

DOE OSTI2019

Mg[(UO2)2(Ge2O6(OH)2]·(H2O)4.4, a novel compound with mixed germanium coordination: cation disordering and topological features of β-U3O8 type sheets

Abstract A novel hydrated magnesium uranyl germanate, Mg[(UO 2 ) 2 (Ge 2 O 6 (OH) 2 )]·(H 2 O) 4.4 , has been synthesized under hydrothermal conditions at 200 °C. The orthorhombic unit-cell parameters are a =10.829(6), b =7.625(4), c =16.888(10) Å, V =1394.5(1) Å 3 , space group Cmcm , Z =4. The crystal structure is based on β-U 3 O 8 -type sheets of corner- and edge-sharing U 6+ O 7 pentagonal bipyramids. The GeO 3 (OH) tetrahedra and GeO 4 (OH) trigonal bipyramids are linked to form [Ge 2 φ 8 ] diortho groups that fill the hexagonal-shaped windows within the sheets. The uranyl germanate layers are connected through Mgφ 6 octahedra. The disorder of the [Ge 2 φ 8 ] diortho groups leads to different local structure types with layered- and framework-like characters. A review of the crystal structures of uranyl minerals and actinide-bearing synthetic compounds based on β-U 3 O 8 topological-type sheets is provided. Structural complexity parameters ( I G,total =176.19 bits/unit cell) indicate that the title compound is one of the simplest actinyl compounds among this family.

nuclear (including radiation effects), materials a↗