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DOE OSTI2020

Materials Data on CeAg by Materials Project

CeAg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Ce and eight equivalent Ag atoms to form distorted CeCe4Ag8 cuboctahedra that share corners with twelve equivalent CeCe4Ag8 cuboctahedra, edges with eight equivalent CeCe4Ag8 cuboctahedra, edges with sixteen equivalent AgCe8Ag4 cuboctahedra, faces with eight equivalent AgCe8Ag4 cuboctahedra, and faces with ten equivalent CeCe4Ag8 cuboctahedra. All Ce–Ce bond lengths are 3.20 Å. All Ce–Ag bond lengths are 3.24 Å. Ag is bonded to eight equivalent Ce and four equivalent Ag atoms to form distorted AgCe8Ag4 cuboctahedra that share corners with twelve equivalent AgCe8Ag4 cuboctahedra, edges with eight equivalent AgCe8Ag4 cuboctahedra, edges with sixteen equivalent CeCe4Ag8 cuboctahedra, faces with eight equivalent CeCe4Ag8 cuboctahedra, and faces with ten equivalent AgCe8Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CeAg by Materials Project

CeAg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Ce–Ag bond lengths are 3.23 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CeAg(WO4)2 by Materials Project

AgCe(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.70 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.13 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.81–2.21 Å. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–3.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, two W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one W6+, and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form distorted edge-sharing OAgW3 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+, one W6+, and one Ag1+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Analytics Supporting Stockpile and Enterprise Planning [Slides]

A robust and growing modeling effort supports Los Alamos weapons leadership as well as NNSA (NA18, NA12, NA19) and DoD (DASD-NM, USSTRATCOM). Current work are valuable to several key NNSA working groups supporting strategic planning: Stockpile Stewardship Management Plan (SSMP); Requirements & Planning Document (RPD) analysis; Requirements and Capacity Working Group (RCWG); Production Integration Collaboration Working Group (PICWG); Enterprise Modeling and Analysis Consortium (EMAC); Cost Estimating Analysis Group (CEAG).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗