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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.

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10 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Capture of Hydrogen Using ZrNi

Water, as ice, is thought to reside in craters at the lunar poles along with CH4 and H2 . A proposed robotic mission for 2012 will utilize metal/metal hydrides for H2 recovery. Specifications are 99% capture of H2 initially at 5 bar and 100C (or greater), and degassing completely at 300C. Of 47-systems examined using the van't Hoff equation, 4 systems, Mg/MgH2, Mg2Ni/Mg2NiH4, ZrNi/ZrNiH2.8, and Pd/PdH0.77, were considered likely candidates for further examination. It is essential, when selecting a system, to also examine questions regarding activation, kinetics, cyclic stability, and gas impurity effects. After considering those issues, ZrN1 was selected as the most promising candidate, as it is easily activated and rapidly forms ZrNiH 2.8 . In addition, it resists oxide poisoning by CO2, and H2O, while some oxidation by O2 is recommended for improved activation . The presence of hydrogen in the as received Zr-Ni alloy from Alfa Aesar posed additional technical problems. X-ray diffraction of the Zr-Ni powder (-325 mesh), with a Zr:Ni wt% ratio of 70:30, was found to consist of ZrH2, ZrNiH2.8, and ZrNi. ZrH2 in the alloy presented the risk that after degassing that both Zr and ZrNi would be present, and thus lead to erroneous results regarding the reactivity of ZrNi with H2 . Fortunately, ZrH2 is a highly stable hydride that does not degas H2 to any significant extent at temperatures below 300C. Based on equilibrium calculations for the decomposition of ZrH2, only 1 millionth of the hydride decomposed at 300C under a N2 atmosphere flowing at 25 ccm for 64 hours, the longest time for pretreatment employed in the investigation. It was possible, from the X-ray results and knowledge of the Zr:Ni ratio, to compute the composition of a pretreated specimen as being 76 wt% ZrNi and the balance ZrH2.

Patton, Lisa↗
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↗
NASA NTRS1993

(abstract) Development of Sorbent Bed Assembly for a Periodic 10K Solid Hydrogen Cryocooler

A closed-cycle 10K sorption cryocooler is being fabricated for microgravity testing during a future space shuttle mission. A critical component of this cryogenic refrigerator is the metal hydride sorbent bed assembly (SBA). The SBA uses hydrides which absorb hydrogen gas at low pressure, (i.e., about 0.25 MPa from liquid hydrogen at 25K and below 0.2 kPa from solid hydrogen near 10K) and subsequently delivers hydrogen at nearly 10 MPa to a storage reservoir to repeat the Joule-Thomson (J-T) expansion process. The SBA includes three independent hydride beds where two contain LaNi(sub 4.8)Sn(sub 0.2) alloy and the third ZrNi. Detailed descriptions will be given for the three beds, which have specialized design features to enhance performance at each step of operation. In particular, two beds must rapidly absorb hydrogen in order for the J-T cold stage to reach 10K within two minutes from a 65K holding temperature. Performance characterization results will be compared to model analyses of the SBA.

applications microgravity↗
NASA NTRS2000

Degradation study of the ZrNiH(sub 1.5) system

The ZrNi hydride has been assessed as reversible hydrogen storage material in actuators of gas gap heat switches for applications involving hydride compressors in closed-cycle Joule-Thomson sorption cryocoolers.

metal hydrides gas gap heat switches hydrogen stor↗
NASA NTRS1999

Development of Gas Gap Heat Switch Actuator for the Planck Sorption Cryocooler

We present the general principles of gas gap heat switches that impact their performances for the Planck cryocooler, develop two figures of merit relevant to this application, and present initial characterization results of switches using uranium or ZrNi as the hydriding material.

Gas Gap Heat Switch Actuator Cryocooler↗