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NASA NTRS1999

Monolithic Cu-Cr-Nb Alloys for High Temperature, High Heat Flux Applications

Work during the prior four years of this grant has resulted in significant advances in the development of Cu-8 Cr4 Nb and related Cu-Cr-Nb alloys. The alloys are nearing commercial use in the Reusable Launch Vehicle (RLV) where they are candidate materials for the thrust cell liners of the aerospike engines being developed by Rocketdyne. During the fifth and final year of the grant, it is proposed to complete development of the design level database of mechanical and thermophysical properties and transfer it to NASA Glenn Research Center and Rocketdyne. The database development work will be divided into three main areas: Thermophysical Database Augmentation, Mechanical Testing and Metallography and Fractography. In addition to the database development, work will continue that is focussed on the production of alternatives to the powder metallurgy alloys currently used. Exploration of alternative alloys will be aimed at both the development of lower cost materials and higher performance materials. A key element of this effort will be the use of Thermo-Calc software to survey the solubility behavior of a wide range of alloying elements in a copper matrix. The ultimate goals would be to define suitable alloy compositions and processing routes to produce thin sheets of the material at either a lower cost, or, with improved mechanical and thermal properties compared to the current Cu-Cr-Nb powder metallurgy alloys.

Ellis, David L.↗

NASA NTRS2011

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline superconducting Nb thin films are extensively used for submillimeter and millimeter transmission line applications and, less commonly, used in microwave kinetic inductance detector (MKID) applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the x-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline Nb thin films are extensively used for microwave kinetic inductance detectors (MKIDs) and superconducting transmission line applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the X-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

superconducting films↗

NASA NTRSDate not supplied

Metal-silicate Partitioning of Re, Ru, Pt, Os, Ti, Nb, and Ta in Reduced Differentiated Planetary Bodies

Siderophile (iron-loving) elements are strongly fractionated during differentiation of planetary bodies into core and mantle [1]. Because the fractionation is controlled by the pressure, temperature, redox conditions, and composition, this group of elements can provide important constraints on the conditions of accretion and core formation in early solar system bodies (planetesimals) and planets (Earth, Mercury, Venus)[2]. At the reducing conditions thought to prevail in the early solar system, Si is known to alloy with FeNi metallic liquids (e.g., [3]) affecting the activity coefficients of siderophile elements in FeNi liquids and thus ultimately their detailed partitioning between metal and silicate melt. The effect of Si can be significant for some siderophile elements, as demonstrated previously by (e.g., [4]: Ni, Co; [5,6]: Ge, As, Sb, Pd, Pt, Au). The effect of Si has not yet been determined for several key groups of siderophile elements including the highly siderophile Re, Ru and Os, and the weakly siderophile Ta, Nb, and Ti. Here, we report new experiments designed to quantify the effect of Si on the partitioning of Re, Pt, Os, Ru, Ti, Ta and Nb between metal and silicate melts. The results will be used to evaluate metal/silicate equilibrium for Nb, Ta, Ti and Nb/Ta ratios in planetary mantles, mantle concentrations of Ru, Re, Pt, Os during accretion, the evolution of Re/Os, Pt/Os ratios in magma oceans, and the role of late veneer in establishing Re and Ru abundances in the terrestrial mantle.

core formation↗

DOE OSTI2022

Development and demonstration of next generation technology for Nb_3Sn accelerator magnets with lower cost, improved performance uniformity, and higher operating point in the 12-14 T range

The scope of the proposal outlined in this white paper is the development and demonstration of the technology needed for next generation of Nb_3Sn accelerator magnets in the 12-14 T range. The main goal is to cut magnet cold-mass cost by a factor 2 or higher with respect to the Nb_3Sn magnets produced by the US Accelerator Upgrade Project (AUP) for the High-Luminosity Large Hadron Collider (HL-LHC). This goal will be achieved by significant reduction of labor hours, higher operating point, and improved performance uniformity. A key factor will be automation that will be achieved through industry involvement and benefitting from the experience gained in US national laboratories through the production of the AUP magnets. This partnership will enable the development of a technology that will be easily transferable to industry for mid- and large-scale production of Nb_3Sn accelerator magnets in the 12-14 T range. This step is essential to enable next generation of colliders such as the FNAL-proposed Muon Collider, FCC and other HEP hadron colliders. This is a Directed R&D where direction is given by the field range and industry involvement for high-automation and industry-ready technology. The plan includes ten milestones, to be achieved in 6-8 years at the cost of 5-7 $M/year.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Materials Data on Nb(PO3)4 by Materials Project

Nb(PO3)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Nb4+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are four shorter (2.04 Å) and two longer (2.13 Å) Nb–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of P–O bond distances ranging from 1.51–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of P–O bond distances ranging from 1.46–1.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb4+ and one P5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(SeCl)2 by Materials Project

NbSe2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NbSe2Cl2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four Cl1- atoms. There are two shorter (2.64 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are a spread of Nb–Cl bond distances ranging from 2.61–2.65 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 9-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(SCl)2 by Materials Project

NbS2Cl2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbS2Cl2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four S+1.50- and four equivalent Cl1- atoms. There are two shorter (2.50 Å) and two longer (2.51 Å) Nb–S bond lengths. There are two shorter (2.59 Å) and two longer (2.64 Å) Nb–Cl bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to two equivalent Nb5+ atoms. In the second S+1.50- site, S+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(NiP4)4 by Materials Project

Nb(NiP4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb2+ is bonded in a 8-coordinate geometry to eight P+0.50- atoms. There are a spread of Nb–P bond distances ranging from 2.53–2.59 Å. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to six P+0.50- atoms to form NiP6 octahedra that share corners with six NiP6 octahedra, corners with ten PNbNiP2 tetrahedra, and an edgeedge with one NiP6 octahedra. The corner-sharing octahedra tilt angles range from 57–65°. There are a spread of Ni–P bond distances ranging from 2.23–2.39 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to six P+0.50- atoms to form NiP6 octahedra that share corners with four equivalent NiP6 octahedra and corners with nine PNbNiP2 tetrahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Ni–P bond distances ranging from 2.27–2.33 Å. There are eight inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded to one Nb2+, one Ni+1.50+, and two P+0.50- atoms to form distorted PNbNiP2 tetrahedra that share corners with three NiP6 octahedra, corners with nine PNbNiP2 tetrahedra, and an edgeedge with one PNbNiP2 tetrahedra. The corner-sharing octahedra tilt angles range from 67–74°. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded to two Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share a cornercorner with one NiP6 octahedra and corners with eleven PNbNiP2 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The P–P bond length is 2.25 Å. In the third P+0.50- site, P+0.50- is bonded to three Ni+1.50+ and one P+0.50- atom to form distorted PNi3P tetrahedra that share corners with two equivalent NiP6 octahedra, corners with thirteen PNbNiP2 tetrahedra, and an edgeedge with one PNi3P tetrahedra. The corner-sharing octahedra tilt angles range from 73–76°. The P–P bond length is 2.21 Å. In the fourth P+0.50- site, P+0.50- is bonded to two equivalent Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share corners with three NiP6 octahedra and corners with twelve PNi2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 70–83°. The P–P bond length is 2.25 Å. In the fifth P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to one Nb2+, one Ni+1.50+, and two P+0.50- atoms. The P–P bond length is 2.25 Å. In the sixth P+0.50- site, P+0.50- is bonded to one Nb2+ and three P+0.50- atoms to form distorted PNbP3 tetrahedra that share corners with six NiP6 octahedra and corners with eight PNbNiP2 tetrahedra. The corner-sharing octahedra tilt angles range from 58–76°. The P–P bond length is 2.25 Å. In the seventh P+0.50- site, P+0.50- is bonded to two Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share a cornercorner with one NiP6 octahedra and corners with eleven PNbNiP2 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The P–P bond length is 2.24 Å. In the eighth P+0.50- site, P+0.50- is bonded to one Nb2+, one Ni+1.50+, and two P+0.50- atoms to form distorted PNbNiP2 tetrahedra that share corners with three NiP6 octahedra, corners with nine PNbNiP2 tetrahedra, and an edgeedge with one PNbNiP2 tetrahedra. The corner-sharing octahedra tilt angles range from 66–75°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(SeBr)2 by Materials Project

NbSe2Br2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NbSe2Br2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are a spread of Nb–Br bond distances ranging from 2.78–2.82 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 2-coordinate geometry to two equivalent Nb5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(SeBr)2 by Materials Project

NbSe2Br2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbSe2Br2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four equivalent Br1- atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are two shorter (2.78 Å) and two longer (2.81 Å) Nb–Br bond lengths. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(PO3)4 by Materials Project

Nb(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb4+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are two shorter (2.02 Å) and four longer (2.11 Å) Nb–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of P–O bond distances ranging from 1.45–1.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nb4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(SO4)2 by Materials Project

Nb(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Nb4+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 2.06–2.12 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nb4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb4+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Nb4+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb4+ and one S6+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(Mo3S4)2 by Materials Project

Nb(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nb2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.54 Å) and six longer (2.86 Å) Nb–S bond lengths. Mo+2.33+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 trigonal bipyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Nb2+ and three equivalent Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Nb2+ and four equivalent Mo+2.33+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(H2Se)2 by Materials Project

(NbH3Se2)2H2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four hydrogen molecules and two NbH3Se2 sheets oriented in the (0, 0, 1) direction. In each NbH3Se2 sheet, Nb2+ is bonded in a 6-coordinate geometry to three H+0.50+ and three equivalent Se2- atoms. There is two shorter (1.88 Å) and one longer (1.90 Å) Nb–H bond length. There are one shorter (2.81 Å) and two longer (2.83 Å) Nb–Se bond lengths. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a T-shaped geometry to one Nb2+ and two equivalent Se2- atoms. There is one shorter (1.95 Å) and one longer (1.98 Å) H–Se bond length. In the second H+0.50+ site, H+0.50+ is bonded in a T-shaped geometry to one Nb2+ and two equivalent Se2- atoms. Both H–Se bond lengths are 1.94 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a hexagonal planar geometry to six H+0.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Nb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(BMo)2 by Materials Project

Nb(MoB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nb2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Nb–B bond lengths are 2.49 Å. Mo2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.39 Å) and two longer (2.47 Å) Mo–B bond lengths. B3- is bonded in a 9-coordinate geometry to two equivalent Nb2+, six equivalent Mo2+, and one B3- atom. The B–B bond length is 1.89 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb(Cu3O4)2 by Materials Project

Nb(Cu3O4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nb–O bond lengths are 2.18 Å. Cu+1.83+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded to one Nb5+ and three equivalent Cu+1.83+ atoms to form a mixture of corner and edge-sharing ONbCu3 tetrahedra.

36 MATERIALS SCIENCE↗