SEARCH · Engineering Papers

Results for “ZrNi”

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.

SourceResearch connectionFrom yearThrough year

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

6 records

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Possible quantum phase transition in partially Cu-doped ZrNi 2-x Cu x Ga Heusler alloys

We have studied the magneto-transport properties of a series of ZrNi 2- x Cu x Ga compounds. For all Cu concentration ( x ≤ 0.5) the samples exhibited the L2 1 cubic structure at room temperature and demonstrated superconductivity below 2 K. A superconducting phase transition temperature of as low as ∼1 K and a critical magnetic field of 1.78 T was observed in the system. A linear extrapolation of T C to T = 0 highly indicated that a stoichiometry-dependent superconducting quantum phase transition may occur in ZrNi 2-x Cu x Ga at x c = 0.90.

Khan, Mahmud↗

DOE OSTI2020

Materials Data on ZrNi by Materials Project

ZrNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.77 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Zr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrNi(OF)6 by Materials Project

ZrF6NiO6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three NiO6 clusters and three ZrF6 clusters. In each NiO6 cluster, Ni is bonded in an octahedral geometry to six equivalent O atoms. All Ni–O bond lengths are 1.84 Å. O is bonded in a single-bond geometry to one Ni atom. In each ZrF6 cluster, Zr is bonded in an octahedral geometry to six equivalent F atoms. All Zr–F bond lengths are 2.04 Å. F is bonded in a single-bond geometry to one Zr atom.

36 MATERIALS SCIENCE↗

DOE OSTI2025

First-Principles Studies of Tritium Species Diffusivity Across the Interfaces of Ni-NiZr Alloy-Zircaloy-4

A tritium producing assembly, also known as tritium producing burnable absorber rods (TPBARs), consists of a metal getter tube located between the cladding and γ-LiAlO2 pellets. The metal getter tube is composed of a nickel (Ni) layer coated on Zircaloy-4. The getter assembly is used to capture tritium (3H) species (mainly 3H2 and 3H2O) generated from γ-LiAlO2 pellets during irradiation. Exploring 3H species (3H2, 3H2O) dissociation on the Ni surface and diffusion in the Ni layer and across the interface of Ni-plated Zircaloy-4 getters can provide insights on tritium transport and retention in the pellets and the getter materials. . In FY25, based on the ideal interface model of Ni-Zircaloy-4 generated in FY24, we will further explore the diffusion pathways of 3H across such Ni-ZrNi-alloy layer-Zircalory-4 interfaces under different conditions, including with oxide/hydroxide clusters on the Ni layer, and impurities located in ZrNi-alloy and Zircalory-4 layers. Due to the size limitation of DFT simulation, we will separate the 3-layer system into 3 sub-systems: Ni-ZrNi interface, ZrNi alloy layer, ZrNi-alloy-Zircaloy-4 interface, and simulate the diffusion barriers for tritium.

diffusion barrier↗

DOE OSTI2020

Materials Data on ZrIN by Materials Project

ZrNI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNI sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Zr–N bond lengths. Both Zr–I bond lengths are 2.99 Å. N3- is bonded in a distorted see-saw-like geometry to four equivalent Zr4+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrIN by Materials Project

ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗