Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “linear projection”

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.

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiTm2Br5 by Materials Project

LiTm2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded in a linear geometry to two equivalent Br atoms. Both Li–Br bond lengths are 2.59 Å. Tm is bonded to six Br atoms to form a mixture of face, edge, and corner-sharing TmBr6 octahedra. The corner-sharing octahedra tilt angles range from 31–54°. There are a spread of Tm–Br bond distances ranging from 2.75–2.93 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four equivalent Tm atoms. In the second Br site, Br is bonded in a distorted bent 120 degrees geometry to one Li and one Tm atom. In the third Br site, Br is bonded in a distorted T-shaped geometry to three equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmFe12N by Materials Project

SmFe12N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a linear geometry to twelve Fe and two equivalent N atoms. There are four shorter (3.07 Å) and eight longer (3.25 Å) Sm–Fe bond lengths. Both Sm–N bond lengths are 2.44 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Sm and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.96 Å. In the second Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form FeSm2Fe10 cuboctahedra that share corners with ten equivalent FeSm2Fe10 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, edges with four equivalent FeSm2Fe10 cuboctahedra, faces with six equivalent FeSm2Fe10 cuboctahedra, and faces with two equivalent NSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a single-bond geometry to eight Fe and one N atom. The Fe–N bond length is 1.92 Å. N is bonded to two equivalent Sm and four equivalent Fe atoms to form NSm2Fe4 octahedra that share corners with eight equivalent FeSm2Fe10 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, and faces with eight equivalent FeSm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu31PdN8 by Materials Project

PdCu31N8 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Pd–Cu bond lengths are 2.72 Å. Both Pd–N bond lengths are 1.97 Å. There are fourteen inequivalent Cu sites. In the first Cu site, Cu is bonded to one Pd and eleven Cu atoms to form distorted CuCu11Pd cuboctahedra that share corners with twelve CuCu11Pd cuboctahedra, faces with six CuCu11Pd cuboctahedra, and faces with eight NCu6 octahedra. There are a spread of Cu–Cu bond distances ranging from 2.69–2.76 Å. In the second Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with twelve CuCu11Pd cuboctahedra, faces with six CuCu11Pd cuboctahedra, and faces with eight NCu6 octahedra. There are a spread of Cu–Cu bond distances ranging from 2.70–2.76 Å. In the third Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fourth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fifth Cu site, Cu is bonded in a linear geometry to four Cu and two N atoms. Both Cu–N bond lengths are 1.93 Å. In the sixth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Cu–N bond length. In the seventh Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. Both Cu–N bond lengths are 1.90 Å. In the eighth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. There is one shorter (1.92 Å) and one longer (1.94 Å) Cu–N bond length. In the ninth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. Both Cu–N bond lengths are 1.93 Å. In the tenth Cu site, Cu is bonded in a linear geometry to four Cu and two equivalent N atoms. Both Cu–N bond lengths are 1.97 Å. In the eleventh Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. Both Cu–N bond lengths are 1.97 Å. In the twelfth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. Both Cu–N bond lengths are 1.97 Å. In the thirteenth Cu site, Cu is bonded in a linear geometry to four Cu and two equivalent N atoms. Both Cu–N bond lengths are 1.97 Å. In the fourteenth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. Both Cu–N bond lengths are 1.97 Å. There are six inequivalent N sites. In the first N site, N is bonded to two equivalent Pd and four Cu atoms to form NCu4Pd2 octahedra that share corners with six NCu4Pd2 octahedra and faces with eight equivalent CuCu11Pd cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to six Cu atoms to form NCu6 octahedra that share corners with six NCu6 octahedra and faces with eight equivalent CuCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the third N site, N is bonded to six Cu atoms to form NCu6 octahedra that share corners with six NCu4Pd2 octahedra and faces with eight equivalent CuCu11Pd cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth N site, N is bonded to six Cu atoms to form NCu6 octahedra that share corners with six NCu6 octahedra and faces with eight equivalent CuCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth N site, N is bonded to six Cu atoms to form NCu6 octahedra that share corners with six NCu4Pd2 octahedra and faces with eight CuCu11Pd cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the sixth N site, N is bonded to six Cu atoms to form NCu6 octahedra that share corners with six NCu6 octahedra and faces with eight CuCu11Pd cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb3Au by Materials Project

AuSb3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent Sb1- atoms. Both Au–Sb bond lengths are 2.73 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted single-bond geometry to one Au3+ and one Sb1- atom. The Sb–Sb bond length is 3.18 Å. In the second Sb1- site, Sb1- is bonded to six Sb1- atoms to form a mixture of edge and corner-sharing SbSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmV2Fe10N by Materials Project

SmV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Sm–V bond lengths are 3.05 Å. There are two shorter (3.17 Å) and eight longer (3.23 Å) Sm–Fe bond lengths. Both Sm–N bond lengths are 2.39 Å. V is bonded in a 10-coordinate geometry to one Sm, one V, and twelve Fe atoms. The V–V bond length is 2.37 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.88 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.44 Å) and two longer (2.68 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.95 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.59 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.89 Å. In the third Fe site, Fe is bonded to two equivalent Sm, two equivalent V, and eight Fe atoms to form distorted FeSm2V2Fe8 cuboctahedra that share corners with ten equivalent FeSm2V2Fe8 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, edges with four equivalent FeSm2V2Fe8 cuboctahedra, faces with six equivalent FeSm2V2Fe8 cuboctahedra, and faces with two equivalent NSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.39 Å) and two longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 1-coordinate geometry to one Sm, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.20 Å. N is bonded to two equivalent Sm and four Fe atoms to form NSm2Fe4 octahedra that share corners with eight equivalent FeSm2V2Fe8 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, and faces with eight equivalent FeSm2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgTe3 by Materials Project

AgTe3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag3+ is bonded in a linear geometry to two equivalent Te1- atoms. Both Ag–Te bond lengths are 2.71 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a distorted single-bond geometry to one Ag3+ and one Te1- atom. The Te–Te bond length is 3.63 Å. In the second Te1- site, Te1- is bonded to six Te1- atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na4XeO12 by Materials Project

XeNa4O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.17 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.64 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–3.00 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Xe and three Na atoms to form corner-sharing ONa3Xe tetrahedra. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a distorted see-saw-like geometry to three Na and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. The O–O bond length is 1.36 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na and two O atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2CrIn3O6 by Materials Project

Ti2CrIn3O6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ti–O bond lengths are 1.95 Å. Cr3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cr–O bond lengths are 2.03 Å. There are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are two shorter (2.17 Å) and four longer (2.25 Å) In–O bond lengths. In the second In1+ site, In1+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are two shorter (2.19 Å) and four longer (2.24 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ti3+ and three In1+ atoms to form a mixture of distorted corner and edge-sharing OTiIn3 tetrahedra. In the second O2- site, O2- is bonded to one Cr3+ and three In1+ atoms to form a mixture of distorted corner and edge-sharing OCrIn3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na4XeO12 by Materials Project

XeNa4O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.16 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–3.00 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.36–3.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Xe and three Na atoms to form corner-sharing ONa3Xe tetrahedra. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.28 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Na and one O atom. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErV2Fe10N by Materials Project

ErV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Er–V bond lengths are 3.06 Å. There are two shorter (3.08 Å) and eight longer (3.25 Å) Er–Fe bond lengths. Both Er–N bond lengths are 2.36 Å. V is bonded in a 10-coordinate geometry to one Er, one V, and twelve Fe atoms. The V–V bond length is 2.44 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.91 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.45 Å) and two longer (2.62 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.93 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the third Fe site, Fe is bonded to two equivalent Er, two equivalent V, and eight Fe atoms to form distorted FeEr2V2Fe8 cuboctahedra that share corners with ten equivalent FeEr2V2Fe8 cuboctahedra, corners with two equivalent NEr2Fe4 octahedra, edges with four equivalent FeEr2V2Fe8 cuboctahedra, faces with six equivalent FeEr2V2Fe8 cuboctahedra, and faces with two equivalent NEr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.36 Å) and two longer (2.62 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Er, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.41 Å. N is bonded to two equivalent Er and four Fe atoms to form NEr2Fe4 octahedra that share corners with eight equivalent FeEr2V2Fe8 cuboctahedra, corners with two equivalent NEr2Fe4 octahedra, and faces with eight equivalent FeEr2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na4XeO12 by Materials Project

XeNa4O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Xe is bonded in a linear geometry to two equivalent Na atoms. Both Xe–Na bond lengths are 3.30 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to one Xe and six O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.83 Å. In the second Na site, Na is bonded to seven O atoms to form a mixture of distorted corner and edge-sharing NaO7 hexagonal pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.79 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one O atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Na and one O atom. The O–O bond length is 1.30 Å. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent Na and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu11PdN4 by Materials Project

PdCu11N4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to four equivalent Cu and two N atoms. All Pd–Cu bond lengths are 2.67 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Pd–N bond length. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. All Cu–Cu bond lengths are 2.57 Å. There is one shorter (1.80 Å) and one longer (2.10 Å) Cu–N bond length. In the second Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. All Cu–Cu bond lengths are 2.70 Å. There is one shorter (1.83 Å) and one longer (1.88 Å) Cu–N bond length. In the third Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. All Cu–Cu bond lengths are 2.68 Å. There is one shorter (1.76 Å) and one longer (1.95 Å) Cu–N bond length. In the fourth Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. All Cu–Cu bond lengths are 2.75 Å. There is one shorter (1.81 Å) and one longer (1.89 Å) Cu–N bond length. In the fifth Cu site, Cu is bonded in a 1-coordinate geometry to one Pd and seven Cu atoms. There are six inequivalent N sites. In the first N site, N is bonded to two equivalent Pd and four equivalent Cu atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to two equivalent Pd and four equivalent Cu atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third N site, N is bonded in a linear geometry to two equivalent Cu atoms. In the fourth N site, N is bonded in an octahedral geometry to six Cu atoms. In the fifth N site, N is bonded in a square co-planar geometry to four Cu atoms. In the sixth N site, N is bonded in a linear geometry to two equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyV2Fe10N by Materials Project

DyV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Dy–V bond lengths are 3.08 Å. There are two shorter (3.07 Å) and eight longer (3.25 Å) Dy–Fe bond lengths. Both Dy–N bond lengths are 2.37 Å. V is bonded in a 10-coordinate geometry to one Dy, one V, and twelve Fe atoms. The V–V bond length is 2.43 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.92 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.64 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.45 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the third Fe site, Fe is bonded to two equivalent Dy, two equivalent V, and eight Fe atoms to form distorted FeDy2V2Fe8 cuboctahedra that share corners with ten equivalent FeDy2V2Fe8 cuboctahedra, corners with two equivalent NDy2Fe4 octahedra, edges with four equivalent FeDy2V2Fe8 cuboctahedra, faces with six equivalent FeDy2V2Fe8 cuboctahedra, and faces with two equivalent NDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.37 Å) and two longer (2.62 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Dy, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.38 Å. N is bonded to two equivalent Dy and four Fe atoms to form NDy2Fe4 octahedra that share corners with eight equivalent FeDy2V2Fe8 cuboctahedra, corners with two equivalent NDy2Fe4 octahedra, and faces with eight equivalent FeDy2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdV2Fe10N by Materials Project

NdFe10V2N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Nd–V bond lengths are 3.09 Å. There are two shorter (3.09 Å) and eight longer (3.26 Å) Nd–Fe bond lengths. Both Nd–N bond lengths are 2.41 Å. V is bonded in a 10-coordinate geometry to one Nd, one V, and twelve Fe atoms. The V–V bond length is 2.42 Å. There are a spread of V–Fe bond distances ranging from 2.63–2.95 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.47 Å) and two longer (2.68 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.92 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.65 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.93 Å. In the third Fe site, Fe is bonded to two equivalent Nd, two equivalent V, and eight Fe atoms to form distorted FeNd2V2Fe8 cuboctahedra that share corners with ten equivalent FeNd2V2Fe8 cuboctahedra, corners with two equivalent NNd2Fe4 octahedra, edges with four equivalent FeNd2V2Fe8 cuboctahedra, faces with six equivalent FeNd2V2Fe8 cuboctahedra, and faces with two equivalent NNd2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.41 Å) and two longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Nd, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.36 Å. N is bonded to two equivalent Nd and four Fe atoms to form NNd2Fe4 octahedra that share corners with eight equivalent FeNd2V2Fe8 cuboctahedra, corners with two equivalent NNd2Fe4 octahedra, and faces with eight equivalent FeNd2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSb4 by Materials Project

MnSb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn2+ is bonded in a linear geometry to two equivalent Sb+0.50- atoms. Both Mn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb+0.50- sites. In the first Sb+0.50- site, Sb+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and one Sb+0.50- atom. The Sb–Sb bond length is 3.29 Å. In the second Sb+0.50- site, Sb+0.50- is bonded to six Sb+0.50- atoms to form a mixture of edge and corner-sharing SbSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (3.02 Å) and four longer (3.08 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spot Size Optimization of the Scorpius Accelerator

The Scorpius Linear Induction Accelerator (LIA) is being developed by the Advanced Sources and Diagnostics (ASD) Project and will complement other U1a capabilities by providing a multi-pulse, DARHT-class, flash-radiography capability. Commissioning activities are expected to end in Spring of 2026. All of the diagnostics discussed in this chapter are relevant to LIAs that generate high-current relativistic electron beams, and some diagnostics will also be relevant to other accelerators. The Scorpius Accelerator will be the world’s most advance LIA. Although significant technological advancements have been incorporated throughout the machine, many performance aspects of Scorpius will be similar to those of FXR and DARHT Axis-I and -II. These LIAs offer the same challenges, whether it is suppressing beam instabilities, improving diagnostic accuracy, validating computer simulations and beam tunes, or reducing beam-target interaction effects. However, the ultimate figure of merit is consistent between these LIAs, which is spot size and dose.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

LAMP Manufacturing Survey (Final Report)

This report presents the results of a market manufacturing survey performed for fabricating radiofrequency quadrupoles (RFQ) and Drift Tube Linear Accelerator (DTL) components needed for the Los Alamos Neutron Science Center (LANSCE) Modernization Project (LAMP). A review on existing RFQs and DTLs with their parameters, a summary of specific capabilities needed to manufacture them, the common issues during the fabrication process, their consequences, and resolutions to these problems is presented in this report. The goal of this study is to identify potential collaborators and companies capable of manufacturing the necessary accelerator equipment, while minimizing cost and schedule risks that could impact the future modernization of the LANSCE facility.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Incorporating the Impacts of Climate Change on Hydrology in a Performance Assessment Model - 20403

The evidence of climate change is increasingly well-documented and impacts should be incorporated in performance assessment studies. The current climate literature provides both observational evidence and climate model projections of climate trends and/or climate change in the late 20. and early 21. centuries for North America and the northeast United States. Probabilistic modeling is a core requirement for quantifying uncertainty and evaluating its impacts. Not evaluating future climate states in a performance assessment because of the existence of uncertainty is contradictory to good modeling practices - the most uncertain issues and parameters require the most attention in effective probabilistic modeling. Excluding climate change limits development of modeling information that could aid in effective decision making. In this work we develop methods to use the output from hydrologic models and analysis of historical aerial imagery to quantify and implement the impacts of climate change on hydrologic processes at a nuclear waste site in West Valley, New York. Specifically, we used the HELP (Hydraulic Performance of Landfill Performance) model to characterize key hydrologic processes under both current and future climate conditions to assess the impacts of changing climate on hydrology. A suite of previous climatic models were reviewed and synthesized to produce a cohesive representation of the current state of knowledge of the impact of climate change on important model inputs such as precipitation. Output from the HELP simulations was coupled to the GoldSim model that was used to develop the Probabilistic Performance Assessment (PPA) approach through the application of a novel 'nearest neighbor' technique. First, several thousand realizations were generated from the HELP model using a Latin Hypercube experimental design to ensure adequate coverage of the parameter space of explanatory variables used to drive HELP. For example, porosity is a physical parameter that is used as an input to both HELP and the GoldSim PA model. We then ran sensitivity analysis (SA) algorithms on the output of HELP for each of the responses of interest. For each predictor, each time we build an SA model we get a different value for the sensitivity index (SI). From the collection of all the SA models, the average was computed among all of the SIs to represent the predictor within the context of the nearest neighbor approach. That is, we conduct SA on each HELP outcome for each scenario. This gives us parameter sensitivity indices for the outcomes. We average the parameter sensitivity indices across the outcomes to get the average SI for a scenario. For each realization that is generated from the Goldsim PA model, Goldsim generates random values for physical/empirical parameters that HELP uses as well. For each vector of physical/empirical parameters that Goldsim generates, the vector from the 5,000 HELP runs that is most 'similar' to the Goldsim vector is computed using the nearest neighbor approach. In this context 'similar' means minimization of the SA-weighted sum of the absolute differences among the 5,000 values computed for this statistic, where each value corresponds to a different HELP realization. In order to account for the impacts of climate change, this process was repeated using the spatially downscaled future climate projections. For each of the key parameters of interest, it was assumed that a linear change depicted the relationship between the values for the present day and those for 2100. In this way, the climatically-driven changes in key parameters used to inform the GoldSim model are quantified and incorporated into the PA model output for the future. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗