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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Materials Data on TiH12N3F7 by Materials Project

(NH4)3TiF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrofluoric acid molecule, one hydrogen molecule, one monofluoroamine molecule, one FH3 cluster, one NH4F cluster, and one TiNH2F3 cluster. In the FH3 cluster, there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in an L-shaped geometry to two H1+ atoms. There are one shorter (0.84 Å) and one longer (1.15 Å) H–H bond lengths. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one H1+ and one F1- atom. The H–F bond length is 1.17 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one H1+ atom. F1- is bonded in a single-bond geometry to one H1+ atom. In the NH4F cluster, N3- is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 0.91–1.22 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.63 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 1.61 Å. F1- is bonded in a 2-coordinate geometry to two H1+ atoms. In the TiNH2F3 cluster, Ti4+ is bonded in a 1-coordinate geometry to one N3- and two F1- atoms. The Ti–N bond length is 1.44 Å. There is one shorter (1.50 Å) and one longer (2.40 Å) Ti–F bond length. N3- is bonded in a 2-coordinate geometry to one Ti4+, one H1+, and one F1- atom. The N–H bond length is 0.71 Å. The N–F bond length is 1.75 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.75 Å) and one longer (1.33 Å) H–F bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one H1+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Ti4+, one N3-, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr3B7O13F by Materials Project

(Cr3B7O13)2F2 crystallizes in the cubic F-43c space group. The structure is three-dimensional and consists of eight hydrofluoric acid molecules and one Cr3B7O13 framework. In the Cr3B7O13 framework, Cr2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cr–O bond lengths are 2.08 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.47 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.44 Å) and one longer (1.69 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr2+ and two B3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbH5(O2F3)2 by Materials Project

H2(H3O2)2(H2O2)6(SbF4)4(F2)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, one hydrogen molecule, two hydrogen peroxide molecules, two water molecules, one H3O2 cluster, and two SbF4 clusters. In the H3O2 cluster, there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.61 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.63 Å. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.30 Å) H–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two H atoms. In the second O site, O is bonded in a 1-coordinate geometry to two H atoms. In each SbF4 cluster, Sb is bonded in a 2-coordinate geometry to four F atoms. There are a spread of Sb–F bond distances ranging from 1.77–2.30 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on CuPbF6 by Materials Project

CuPbF4F2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrofluoric acid molecules and one CuPbF4 ribbon oriented in the (1, 1, 1) direction. In the CuPbF4 ribbon, Cu2+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Cu–F bond length. Pb4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Pb–F bond lengths are 1.25 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Rb5Mo3O3F14 by Materials Project

(Rb30Mo18O18F83)2F2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional and consists of one hydrofluoric acid molecule and one Rb30Mo18O18F83 framework. In the Rb30Mo18O18F83 framework, there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.01 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.16 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one O2- and seven F1- atoms. The Rb–O bond length is 2.89 Å. There are a spread of Rb–F bond distances ranging from 2.78–3.47 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to three O2- and seven F1- atoms. There are one shorter (3.07 Å) and two longer (3.51 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.79–3.43 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to three O2- and seven F1- atoms. There are one shorter (3.18 Å) and two longer (3.55 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.01–3.38 Å. There are three inequivalent Mo5+ sites. In the first Mo5+ site, Mo5+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing MoOF5 octahedra. The corner-sharing octahedral tilt angles are 15°. The Mo–O bond length is 1.72 Å. There are a spread of Mo–F bond distances ranging from 1.98–2.22 Å. In the second Mo5+ site, Mo5+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing MoOF5 octahedra. The corner-sharing octahedral tilt angles are 15°. The Mo–O bond length is 1.72 Å. There are a spread of Mo–F bond distances ranging from 1.99–2.19 Å. In the third Mo5+ site, Mo5+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing MoOF5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Mo–O bond length is 1.71 Å. There are four shorter (1.99 Å) and one longer (2.19 Å) Mo–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one Mo5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Mo5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Rb1+ and one Mo5+ atom. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo5+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Mo5+ atom. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Rb1+ and two equivalent Mo5+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Mo5+ atom. In the eighth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Rb1+ atoms. In the ninth F1- site, F1- is bonded in a distorted linear geometry to one Rb1+ and two Mo5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InH3F3 by Materials Project

(InF)2H2(HF)4 is Cyanogen Chloride-like structured and crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of four hydrofluoric acid molecules; two hydrogen molecules; and two InF ribbons oriented in the (0, 1, 0) direction. In each InF ribbon, In2+ is bonded in a linear geometry to two equivalent F1- atoms. There are one shorter (2.27 Å) and one longer (2.35 Å) In–F bond lengths. F1- is bonded in a linear geometry to two equivalent In2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCuNO4F7 by Materials Project

(TiCu(O2F3)2)2N2F2 crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two ammonia molecules, two hydrofluoric acid molecules, and two TiCu(O2F3)2 clusters. In each TiCu(O2F3)2 cluster, Ti is bonded to six F atoms to form TiF6 octahedra that share a cornercorner with one CuO4F square pyramid. There are a spread of Ti–F bond distances ranging from 1.85–1.91 Å. Cu is bonded to four equivalent O and one F atom to form distorted CuO4F square pyramids that share a cornercorner with one TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.81 Å. The Cu–F bond length is 2.31 Å. O is bonded in a single-bond geometry to one Cu atom. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Ti and one Cu atom. In the second F site, F is bonded in a single-bond geometry to one Ti atom. In the third F site, F is bonded in a single-bond geometry to one Ti atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H7N2F by Materials Project

(NH4)2(NH3)2F2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four ammonium molecules, and four hydrofluoric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCa4Si8H16O28F by Materials Project

(KCa4Si8(H4O7)4)2F2 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional and consists of two hydrofluoric acid molecules and one KCa4Si8(H4O7)4 framework. In the KCa4Si8(H4O7)4 framework, K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.71 Å. Ca2+ is bonded in a 2-coordinate geometry to two equivalent H1+ and four O2- atoms. Both Ca–H bond lengths are 2.42 Å. There are two shorter (2.19 Å) and two longer (2.60 Å) Ca–O bond lengths. Si4+ is bonded to five O2- atoms to form distorted corner-sharing SiO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.62–1.92 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Ca2+ and one H1+ atom. The H–H bond length is 0.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ca2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+, one Si4+, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Te4N5F21 by Materials Project

(N2)5(TeF5)8F2 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of ten ammonia molecules, two hydrofluoric acid molecules, and eight TeF5 clusters. In each TeF5 cluster, Te5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.85–1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc(NF2)3 by Materials Project

(ScF3)2N2(NF)4F2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia molecule, one hydrofluoric acid molecule, two monofluoroamine molecules, and one scandium fluoride molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Normetex Pump Alternatives Study

A mainstay pump for tritium systems, the Normetex scroll pump, is currently unavailable because the Normetex company went out of business. This pump was an all-metal scroll pump that served tritium processing facilities very well. Current tritium system operators are evaluating replacement pumps for the Normetex pump and for general used in tritium service. An all-metal equivalent alternative to the Normetex pump has not yet been identified. 1. The ideal replacement tritium pump would be hermetically sealed and contain no polymer components or oils. Polymers and oils degrade over time when they contact ionizing radiation. 2. Halogenated polymers (containing fluorine, chlorine, or both) and oils are commonly found in pumps. These materials have many properties that surpass those of hydrocarbon-based polymers and oils, including thermal stability (higher operating temperature) and better chemical resistance. Unfortunately, they are less resistant to degradation from ionizing radiation than hydrocarbon-based materials (in general). 3. Polymers and oils can form gaseous, condensable (HF, TF), liquid, and solid species when exposed to ionizing radiation. For example, halogenated polymers form HF and HCl, which are extremely corrosive upon reaction with water. If a pump containing polymers or oils must be used in a tritium system, the system must be designed to be able to process the unwanted by-products. Design features to mitigate degradation products include filters and chemical or physical traps (eg. cold traps, oil traps). 4. Polymer components can work in tritium systems, but must be replaced regularly. Polymer components performance should be monitored or be regularly tested, and regular replacement of components should be viewed as an expected normal event. A radioactive waste stream must be established to dispose of used polymer components and oil with an approved disposal plan developed based on the facility location and its regulators. Polymers have varying resistances to ionizing radiation - aromatic polymers such as polyimide Vespel (TM) and the elastomer EPDM (ethylene propylene diene monomer) have been found to be more resistant to degradation in tritium than other polymers. This report presents information to help select replacement pumps for Normetex pumps in tritium systems. Several pumps being considered as Normetex replacement pumps are discussed.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2017

Commercially Scalable Process to Fabricate Porous Silicon

Navitas Advanced Solutions Group proposes a novel, commercially scalable approach to supply microporous silicon (μpSi) to lithium ion battery manufacturers. If successful, this project will result in a significant reduction in the cost and environmental impact of high capacity anodes that are needed to meet the EV Everywhere battery goals. Silicon nanocomposite materials have been identified as a viable anode technology for EV batteries. Presently, high capacity silicon-based anodes rely either on materials that are expensive (e. g., silane or nano-silicon powder) or on processes that are limited by low yield methods (e.g., chemical vapor deposition). Microporous silicon potentially avoids these limitations and is attracting increasing attention as a lower cost alternative for the manufacture of high capacity silicon-based anodes. Microporous silicon suitable for EV batteries is not currently available as a commodity material. Microporous silicon can be produced at lab scale through a metal catalyzed hydrofluoric acid etching process. However, this process is expensive and hazardous. Our proposed production route will facilitate the availability of μpSi to lithium ion battery producers and developers at a scale and cost able to support EV battery production. Under the Vehicle Technologies FOA AOI 4 seeks Advances in Existing and Next-Generation Battery Material Manufacturing to reduce the cost of EV batteries. The EV Everywhere initiative establishes a goal of $100/kWh system level cost for an EV battery. This cost target can be met with moderate risk through pairing silicon-based high capacity anodes with lithium metal-rich nickel manganese cobalt oxide 'LMR-NMC' cathodes. For this set of assumptions, the silicon anode active material cost would need to be <$25/kg. The Navitas µpSi powder manufacturing process will reach this target through a combination of low-cost commodity raw materials and reactants with scalable and low environmental impact processes. Processing will involve mechanical milling and thermal reduction operations that are in wide application at industrial scale. The goal of this program is to reach most or all of the MRL 6 criteria in a pilot scale demonstration for the manufacturing of porous silicon powder, while minimizing raw material added cost and limiting hazardous and environmental impact and using scalable industrial processing (i.e. mechanical milling, thermal reduction). The Navitas μpSi fabrication process represents a novel approach to reduce the cost of silicon anode material manufacturing. This process has been shown to be more efficient (higher yield) and economical on scaling up than conventional metal-assisted etching. The process significantly reduces the cost on $/mAh basis versus existing anode materials. The μpSi powders can be modified to form nanocomposite structures through blending with graphite or coating with carbon or a metal oxide to decrease initial capacity loss (ICL) and improve cell cycle life, a key barrier to adoption of silicon anodes into EV batteries. The impact of this technology will be driven by the projected rate of EV adoption and market share. By reducing battery cost, the proposed technology will stimulate EV adoption rate. Assuming this technology enables capturing an additional 6% of the present PHEV + EV market the reduction in petroleum consumption would be 90,000 gallons of gasoline per day, or 1.6M barrels per year. The carbon emissions from a gallon of gasoline = 2.4 kg/gallon. Thus, if the proposed technology was incorporated into just 0.1% of all new vehicles produced and if all the electricity to power those electric-drive vehicles was produced from clean, renewable sources such as wind and solar, it would result in 15K metric tons/yr reduction of CO2 emissions.

25 ENERGY STORAGE↗
DOE OSTI2018

Improved Preparedness in Galveston County, Texas Final Report CRADA No. TC02275

LLNS, as manager and operator of Lawrence Livermore National Laboratory (LLNL), and UTMB have a multi-year, ongoing, collaborative effort. This effort aimed to improve preparedness in Galveston County, Texas region and, more generally, identifying improved methods to (a) understand and mitigate the hazards of a large industrial chemical release and (b) implement and adapt national response plans and guidance to meet local planning and response needs. This CRADA was one portion of that effort and was intended to support the Hydrofluoric Acid (HF) Incident Symposium. This annual symposium engages a wide variety of government, private, and non-profit groups to (a) increase the resiliency, and reduce the vulnerability, of communities at risk of being impacted by major releases of toxic industrial chemicals and (b) guide the development of policies and best practices to prevent and manage these events. This CRADA project was originally scheduled for six (6) months and consisted of five major tasks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Influence of MXene termination groups on hydrogen interactions

MXenes are a relatively new class of nanomaterial consisting of alternating layers of transition metals and carbon or nitrogen, capped off on either end by terminal groups, usually from the P-block. They have been considered for a wide range of purposes, including hydrogen storage. In this study, thermogravimetric analysis and mass spectrometry residual gas analysis are performed on Ti 3 C 2 T x and Ti 2 CT x to characterize their terminal groups. The hydrogen absorption capabilities of the heat-treated samples are measured using a Sievert apparatus and compared against untreated samples. This reveals that, during heating, the MXenes lose hydrogen, water, fluoride, hydrofluoric acid, and carbon dioxide. Isothermal absorption measurements suggest that the removal of termination groups might improve hydrogen uptake kinetics at high temperatures, but has little effect at room temperatures.

08 HYDROGEN↗
DOE OSTI2017

The Infrared Spectroscopy of Equilibrium Mixtures of Vapor-Phase Water and Hydrogen Fluoride

Hydrogen fluoride readily associates with water vapor in the air to form the H 2 O-HF complex, which has optical absorption properties that are different from those of unassociated hydrogen fluoride. Consequently, to accurately quantify the total amount of hydrogen fluoride coming from an industrial stack or vent, for example, requires that the complexed amount of hydrogen fluoride be accounted for. To do this, the equilibrium constant for the association reaction is needed. Using statistical mechanical methods, Adebayo and coworkers [Adebayo SLA, AC Legon and DJ Millen. 1991. J. Chem. Soc. Faraday Trans. 87:443-447.] made an estimate of this equilibrium constant based on measured and estimated spectroscopic values for the complex. This value is K eq = 84(18) but has never been confirmed experimentally. In the research described herein, we have measured the equilibrium constant for the formation of H 2 O-HF by monitoring the decrease in the infrared absorption features of water vapor and hydrogen fluoride in mixtures of these two vapors in a temperature-regulated cell. Our experimental values for K eq at 25 °C, based on the diminution of the water vapor and HF transitions, are 77(46) and 51(24), respectively. The decay of the spectral features continues long after (hours) the two vapors are mixed in the gas cell. This suggests that other reactions (the growth of a film of hydrofluoric acid, perhaps) are taking place. While the experimental results agree reasonably well with the calculated equilibrium value of Adebayo et al., further improvements in experimental and analysis techniques are needed to reduce the uncertainties in the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

SQMS science advances impact on Rigetti commercial processors

The collaboration between the Superconducting Quantum Materials and Systems Center (SQMS) and Rigetti Computing produced several advancements in our understanding of the role of materials characteristics in quantum processor performance. This partnership leverages SQMS's extensive characterization infrastructure and cutting-edge research in materials, and Rigetti's expertise in quantum hardware and robust nanofabrication to improve precision and performance of Rigetti's test QPUs. Qubit frequency is determined in large part by the properties of Josephson junctions (JJs) made of amorphous oxide tunnel barriers; the Alternating-Bias Assisted Annealing (ABAA) process allows us to tune JJs to their desired frequency [1]. Work by SQMS researchers in characterizing high-precision JJs post-processed (using ABAA) have yielded crucial information on the nature of the structure and chemical bonding uniformity of the ABAA processed amorphous oxides. Performance has also been improved through a comprehensive series of experiments that tested encapsulation and surface treatment. Encapsulation of the niobium metal layer with tantalum resulted in an T1 improvement of 80%, experimentally confirming the role of Nb surface losses in qubit performance [2]. Pre-treatment of the underlying silicon surface prior to JJ fabrication by replacing a buffered oxide etch (BOE) with hydrofluoric acid (HF) followed by aqueous ammonium fluoride (NH4F) has shown a statistically significant improvement of T1 by 22%, and reduction in the number of strongly-coupled TLS [3]. These examples, as well as many other published and ongoing investigations, demonstrate the mutual benefits that come from Rigetti's involvement in the SQMS collaboration. [1] - Pappas, D.P., et al. (2024). https://doi.org/10.1038/s43246-024-00596-z [2] - Bal, M., et al. (2024). https://doi.org/10.1038/s41534-024-00840-x [3] Kopas, C. J. et al. Preprint at https://doi.org/10.48550/arXiv.2408.02863 (2024).

Lachman, Ella↗
DOE OSTI2024

Investigating Gas Dynamics and Reactions in Supersonic Jets

UF6 is highly reactive and readily hydrolyzes in contact with moisture to form uranyl fluoride (UO2 F2 ) and hydrofluoric acid (HF), however there is disagreement between experimental and computation investigations into the intermediates of the reaction. • As the hydrolysis reaction occurs at very fast time scales, it is difficult to investigate the intermediates and reaction kinetics experimentally. • Previous experiments at SRNL have had some success at halting and studying the UF6 hydrolysis reaction using cryogenic techniques, however isotopic substitution studies limit possible identity of intermediate compounds. • Primary goal of this project is to capture and study reaction intermediates produced during the gas phase hydrolysis of UF6 via supersonic expansion.

Waldron, Abigail M.↗