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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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At least 271 records · Page 15

Investigating Hydrogen Isotope Exchange Reactions on Lithium Aluminate Pellets in TPBAR (FY22 Report)

We developed a novel operando Raman spectroscopy method for investigation of hydrogen (H) isotope exchange reactions in the lithium aluminate (γ-LiAlO 2 ) that allows modeling of tritium behaviors in high temperature and in an irradiated environment. The lithium aluminate pellet is a main component in the Tritium-Producing Burnable Absorber Rod (TPBAR). We used deuterium ( 2 H or D) as a surrogate to simulate tritium ( 3 H or T). We used a surface analysis tools in situ/operando Raman spectroscopy to observe the transformation OH and OD compositional changes. We also used ToF-SIMS to analyze the lithium aluminate pellet control sample to build the base line for future in situ/operando analysis. To conduct operando Raman spectroscopy, we developed a custom reaction cell with a detachable micro heater using microelectromechanical systems (MEMS) and 3D printing techniques. Multiple versions were developed and tested. Using the new reaction cell, we demonstrated operando Raman spectroscopy of water (H 2 O) and deuterated water (D 2 O) with nitrogen (N 2 ) exposure onto the lithium aluminate (LiAlO2) pellet specimen, respectively, using a wet gas injection setup. We also successfully developed a detachable microheater that can heat up to ~250°C for ~90 mins. The Raman spectra did not show clear H 2 O and D 2 O characteristic peaks, which indicates that introducing H 2 O and D 2 O onto the surface of the pellet is challenging due to its dense structure nature. Our efforts suggest that various improvements are needed, such as increasing reaction cell operating gas pressure and thinning pellet sample thickness, to obtain meaningful measurements.

07 ISOTOPE AND RADIATION SOURCES↗

Science-Based Acceleration of the Full Value Stream for Metal Additive Manufacturing: Expedited Powder Development and Additive Manufacturing Deployment in the Areas of Ni-Base Superalloy and Custom Alloy Powders for AM (Final Report)

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. Production of modified nickel-based superalloys and a Ni-containing alloy based on a high entropy composition, enhanced powder production methods, and optimized AM build parameterization provided critical steps in widespread adoption of AM technology for aerospace applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the area of nickel-based powder superalloys and custom alloys and their end use.

36 MATERIALS SCIENCE↗

Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing: Expedited Powder Development in the Area of Aluminum Powder Alloys and their End Use (Final Report)

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. A new aluminum (Al) alloy based on high entropy composition, enhanced powder production, and optimized AM build parameterization provided a critical step in widespread adoption of AM technology for automotive applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the area of aluminum powder alloys and their end use.

36 MATERIALS SCIENCE↗

Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment in the Area of Aluminum Alloys for AM Powder Production (Final Report)

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. A new aluminum (Al) alloy based on an Al-Ce-X composition, enhanced powder production, and optimized AM build parameterization provided a critical step in widespread adoption of AM technology for automotive applications, in this case. The individual background and capabilities of the Party are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and developed a close working relationship with the Participant in the area of aluminum powder alloys and their end use.

36 MATERIALS SCIENCE↗

Science-Based Acceleration of the Full Value Stream for Metal Additive Manufacturing: Expedited Powder Development and Additive Manufacturing Deployment in the Areas of Ni-Base Superalloy and Custom Alloy Powders for AM

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. Production of modified nickel-based superalloys and a Ni-containing alloy based on a high entropy composition, enhanced powder production methods, and optimized AM build parameterization provided critical steps in widespread adoption of AM technology for aerospace applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the areas of nickel-based powder superalloys and custom alloys and their end use.

36 MATERIALS SCIENCE↗

Science-Based Acceleration of the Full Value Stream for Metal Additive Manufacturing: Expedited Powder Development and Additive Manufacturing Deployment in the Areas of Ni-Base Superalloy and Custom Alloy Powders for AM

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. Production of modified nickel-based superalloys and a Ni-containing alloy based on a high entropy composition, enhanced powder production methods, and optimized AM build parameterization provided critical steps in widespread adoption of AM technology for aerospace applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the areas of nickel-based powder superalloys and custom alloys and their end use.

36 MATERIALS SCIENCE↗

Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development and Additive Manufacturing Deployment in the Area of Aluminum Powder Alloys

The overall Science-based Acceleration of the Full Value Stream for Metal Additive Manufacturing (AM): Expedited Powder Development (“X-P4AM”) project objective is to drastically reduce the time-to-market barriers for new additive alloys of interest in automotive and aerospace applications, through computational alloy design with rapid screening and down- selection via synthesis of candidate alloys with rapid solidification. The project will also refine the technology in high pressure gas atomization to improve the production of commercial quantities of selected powders with high powder yields and enhanced powder quality. A new aluminum (Al) alloy based on high entropy composition, enhanced powder production, and optimized AM build parameterization provided a critical step in widespread adoption of AM technology for automotive applications, in this case. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The included work enhanced the Contractors’ AM capabilities, a core competency of the Contractors, and develop a close working relationship with the Participant in the area of aluminum powder alloys and their end use.

36 MATERIALS SCIENCE↗

Measurement of the thermal effects in the dispersion relation of the dust acoustic wave in the presence of a magnetic field

This award supported an experimental study of the properties of the dust acoustic wave, low-frequency, l ongitudinal wave mode that propagates through the dust component of a dusty plasma system and is self-excited by the free energy from the ion streaming p ast the dust, in the presence of a high magnetic fiel d. In particular, this project measured the thermal state of dusty plasma system by measuring the dispersi on relation of the dust acoustic wave while varying (1) the strength and direction of the magnetic field relative to the propagation direction of the wave and (2) the neutral gas pressure. By exploiting the unique ability of the MDPX facility to generate a dusty plasma in a high magnetic field environment, it is possible to create a preferential ion flow along the magnetic field lines as the ions become magnetized. In this way, the magnetic field strength can be used to control t he strength of the ion flow through the dust cloud an d provide insight into the contribution that one of the physical mechanisms, a two-stream ion-dust instability, thought to be responsible for high temperatures that have been previously observed might have. This work was completed over two, one-week long runs o n the Magnetized Dusty Plasma eXperiment (MDPX) in the Magnetized Plasma Research Laboratory at Auburn University and supported by work at Wittenberg University (development of an electrode system that would allow for the wave mode to propagate in th e direction of gravity as the orientation of the magnetic field is changed by rotating the magnets on the M DPX device, analysis of data acquired during the experimental campaigns, testing alternative strategies to form a dust cloud based on what was learned the first experimental campaign, etc.).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dust and Ions: Self Organization and Stability (Final Report)

This project explores the stability and structure of systems with non-reciprocal interactions, challenging the traditional understanding based on Newton's third law, which states that every action has an equal and opposite reaction. Reciprocal forces are fundamental to the stability of systems ranging in size from atomic nuclei to galactic clusters. Our research investigates what happens when the forces between two objects are not equal and opposite. We used dusty plasmas as a model system to study non-reciprocal interactions. In a plasma chamber, micron-sized dust particles acquire a negative charge and form 2D planar "dust crystals" when levitated by the electric field present in the plasma sheath at the interface between the plasma and the lower surface of the chamber. This electric field also drives a vertical ion flow, creating a positively charged "plasma wake" downstream of the dust grains. While horizontally aligned dust grains interact reciprocally, a slight vertical displacement causes non-reciprocal interactions due to the attraction of the lower dust grain to the upper dust grain’s ion wake. Our experiments investigated the range of plasma conditions (gas pressure and system power) where stable dusty plasma structures are able to self-organize, aided by the ion wake. We studied systems ranging from pairs of dust particles to large 2D crystals, providing insights into the conditions that lead to stable or unstable structures. We used numerical simulations to investigate how ion wakes changed in response to changes in the operating conditions as well as how the wakes of separate grains interact when dust grains are in close proximity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experiments to validate Thermodynamics and Transport models of Strongly Coupled Dusty Plasma Matter (Final Technical Report for DE-SC0023416)

The goal of this two-year grant is to provide access to the PI to dusty plasma experimental facilities at the DOE-funded Collaborative Research Facility Magnetized Plasma Research Laboratory, Auburn University to become a user of that facility, to obtain experimental data to support another ongoing grant DE-SC0021146 (an Early Career Award to the PI that is focused on modeling of dusty plasma thermodynamics and transport processes), to generate experimental data for funding proposals, and to provide exposure to University of Memphis students to advanced experimental techniques. The following technical accomplishments were made: 1. Development of a novel Bidirectional Electrode Control Arms Assembly (BECAA) for producing perfect 2D grain layers for complex plasma experimentation. BECAA uses movable electrode arms to tilt or move the electrode in a RF discharge from outside the chamber, allowing for the manipulation of grain clouds without needing to change the plasma parameters or gas pressure. This work addresses a longstanding gap in the literature for a method to produce clusters of selectable number of grains and that are perfectly two dimensional as opposed to being only quasi-2D. 2. Experimental investigation of the structural properties of finite-N clusters with N=2 to 50. Individual particle behavior in clusters could vary from grain to grain and this study measured systematically produced clusters for two different grain sizes. Analysis (funded by another grant DE-SC0021146) is currently underway to quantify the differences between grains that are found on the surface vs. the interior of clusters, the shell structure, and the decay of correlations in position, velocity, and kinetic energy. 3. An experimental method to measure the structural entropy of clusters was developed by observing the self-induced structural transitions between various possible arrangements. In a series of heating and cooling cycles, the number of times each possible arrangement was attained was experimentally observed and used to compute the probability of existence of that arrangement, and subsequently the configurational entropy of the cluster. Analysis (funded by another grant DE-SC0021146) is currently underway to produce the entropy of clusters as a function of the number of grains and use the same to compute thermodynamic state variables for 2D complex plasma/grain clusters. 4. A preliminary experimental study of multibody collisions between N grains (N=2 – 10) was conducted. The clusters were produced using the BECAA technique and velocities were imparted to the grains using manipulation laser pulses. Analysis (funded by another grant DE-SC0021146) is currently underway to develop a theoretical framework to describe multibody collisions analogous to classical two-body interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Defect Thermodynamics and Transport Properties of Proton Conducting Perovskite Electrode and Electrolyte Materials Evaluated Based on Density Functional Theory Modeling

Both electron-rich and electron-poor perovskite oxides have been used in solid oxide cell applications as electrode and electrolyte materials. The rich oxygen defect chemistry and its coupling to temperature, hydrogen-steam or oxygen-steam gas pressure, or to the applied potentials creates enormous complexities for modeling performance and degradation of the materials. Herein, density functional theory-based thermodynamic modeling was carried out to describe the defect chemistry and transport properties of the proton-conducting electrolyte BaZr1-xYxO3-δ (x≤0.1) and of the triple-conducting perovskite (La,Ba)(Fe,M)O3-δ (M=Y and Zr). The defect thermodynamics of intrinsic point defects and the hydrogen-related defect reactions were solved in integrated defect models and further used to predict the Brouwer diagram and the transport properties of the functional perovskites. For the electron-poor electrolytes BaZr0.9Y0.1O3-δ, the developed model has been used to describe the experimental transport properties in the SOC operating conditions. Specifically, the roles played by the acceptor-bound holes and the intrinsic and hydrogen point defects upon the conductivities of holes, protons, and oxygen vacancies under the hydrogen-rich and oxygen-rich conditions at various humidity levels were demonstrated. A defect modeling tool was also developed for the triple-conducting perovskite (La,Ba)(Fe,M)O3-δ (M=Y and Zr) to examine magnetic effects and hydride defects in defect equilibria.

defect thermodynamics↗

Liquid organic hydrogen carriers for long-duration energy storage

Liquid organic hydrogen carrier (LOHC) systems are an excellent alternative to pressurized gas and liquid hydrogen storage technologies due to their high volumetric storage capacities and straightforward adaptation to existing infrastructure. Here, we investigate various molecular and heterogenized Ru, Mn, and Fe catalysts for the reversible (de)hydrogenation of polyols. Mn catalysts, Mn-MACHO(Ph) (1) and Mn-MACHO(iPr)BH 4 (2-BH 4 ) were found to maintain catalytic activity for hydrogen production comparable to the Ru analogs, with greater than 98% conversion of 1,4 butanediol and quantitative hydrogen production. Furthermore, to assess the viability of utilizing heterogenized molecular catalysts for 1,4 butanediol (de)hydrogenation, molecular catalysts, Mn-MACHO(Ph), Ru-MACHO(Ph), and Ru-9, were polymerized to form Mn-MACHO-Poly, Ru-MACHO-Poly, and Ru-9-Poly respectively. These catalysts were then used to assess (de)hydrogenation of polyols, ethylene glycol and 1,4 butanediol. These studies reveal that Ru-MACHO-Poly is an efficient dehydrogenation catalyst with 99% conversion and a hydrogen percent yield of 96%. In addition, Ru-MACHO-Poly is a competent hydrogenation catalyst with approximately 98% conversion back to 1,4 butanediol based on quantitative NMR measurements. Overall, the data suggest these molecular and heterogenized catalysts have potential for practical use in polyalcohol-based LOHC systems.

08 HYDROGEN↗

Multiport high-pressure synchrotron x-ray microscopy cell (CRADA Final Report)

The LBNL team developed a multiport cell allowing for fluid flow, with electrical contacts for sample bias, and with reference electrodes. The cell is currently installed and operating in beam-line 11.0.2 of the ALS, the Berkeley Synchrotron. The cell is closed by a membrane consisting of several stacked layers of graphene (1 to 3). The graphene membrane is supported on a 100 nm thick Si3N4 membrane covered with a 20 nm thin gold film for improved adhesion of the graphene and to ensure electrical conductivity. The Si3N4 film is perforated with a periodic array of holes 1 to 2 micrometers diameter. The cell can withhold an internal pressure (gas or liquid) of up to 10 atmospheres for in situ/operando studies using X-ray Photoelectron emission (XPS), and X-ray Absorption Spectroscopy (XAS). It is also ideal for tip-enhanced nano-Infrared Spectroscopy studies of molecules at the interface between the graphene and the liquid or gas filling the cell. Materials studied in the LBNL laboratory are in the form of nanoparticles, or thin films (few nm) deposited on the side of the graphene membrane facing the solution or gas inside the cell.

36 MATERIALS SCIENCE↗

Thermal radiation analysis of a pressurized oxy-coal combustor with discrete ordinate model

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Pressure strongly impacts thermal radiation, leading to a substantial difference in heat transfer between POC and conventional atmospheric pressure combustion. A good understanding of thermal radiation in POC is needed to aid new combustor development. The present work is a step in this direction, initiating a systematic analysis of thermal radiation and heat transfer in a pilot-scale POC combustor, which has been developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. Few researchers have investigated the thermal radiation of pressurized oxy-combustion. This work adopted the discrete ordinate model to simulate the radiation of a 1-D cylinder with predetermined conditions (temperature, pressure, gas compositions) to predict the influence of radiative properties of flue gas on the radiation in the combustor.

Li, Lei↗

The DUNE Near Detector

DUNE is a next-generation experiment aiming to provide precision measurements of neutrino oscillation parameters. It will detect neutrinos produced in the Long-Baseline Neutrino Facility beamline at Fermilab, using a Near Detector situated near the beam target where the neutrinos originate and a Far Detector located 1300 km away in South Dakota. A comparison of the spectra of neutrinos measured at the Far and the Near Detector will allow for the extraction of oscillation probabilities from which the oscillation parameters can be inferred. The specific role of the Near Detector is to serve as the experiment’s control: it will establish the no oscillation null hypothesis, measure and monitor the beam, constrain systematic uncertainties, and provide essential measurements of the neutrino interactions to improve models. The Near Detector complex will include three primary detector components: a liquid argon time projection chamber, a high-pressure gas time projection chamber and an on-axis beam monitor. The three detectors will serve important individual and overlapping functions, with two of them being also able to move transverse to the beam’s axis via the DUNE-PRISM program. The overall mission of the Near Detector, as well as the three sub-detectors’ unique capabilities and physics programs will be discussed in these proceedings.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A High-Magnetic-Field Polarized 3He Target for JLab's CLAS12 Spectrometer

We are developing a polarized 3He target for use in high luminosity electron scattering experiments within the high magnetic field environment of Jefferson Lab's CLAS12 spectrometer. By combining recent advancements in metastability exchange optical pumping (MEOP) of 3He with cryogenic, double-cell target methods as used for the MIT-Bates 88-02 experiment, a target with polarization and gas density comparable to traditional, low-field polarized 3He targets can be reached within high magnetic field environments. We have begun polarizing sealed 3He cells at fields up to 5 T at Jefferson Lab, and are preparing for our first tests exploring polarization performance versus magnetic field and gas pressure in a single cell before we move to the construction of a full, cryogenic, double-cell prototype target. A key focus of our research is the determination of polarization relaxation under the irradiation of an ionizing particle beam within high magnetic fields.

Maxwell, James↗

Amine-Containing Membranes with Functionalized Multi-Walled Carbon Nanotubes for CO2/H2 Separation

Amine-containing mixed-matrix membranes incorporated with amino-functionalized multi-walled carbon nanotubes (AF-MWNTs) were synthesized for CO2/H2 separation based on the facilitated transport mechanism. AF-MWNTs were chosen primarily as the mechanical reinforcing filler to enhance the membrane stability. At 107 °C and 0.2-MPa feed pressure, the membrane incorporated with 10 wt.% AF-MWNTs showed a CO2 permeability of 3196 Barrers and a CO2/H2 selectivity of 205. At the higher feed pressure of 1.5 MPa, owing to the carrier saturation phenomenon, the same membrane exhibited reduced transport performance with a CO2 permeability of 776 Barrers and a CO2/H2 selectivity of 31. These separation performances at both the low and high feed pressures were well above the theoretical upper bound. Furthermore, the incorporation of 10 wt.% AF-MWNTs led to a significant improvement on membrane stability. The transport performance and selective layer thickness of this membrane maintained for 100 h, which suggested that the incorporation of AF-MWNTs improved the resistance to membrane compaction upon a high feed pressure. Therefore, this work is considered as one of the crucial steps to enable the application of facilitated transport membranes to high-pressure gas processing such as syngas purification.

59 BASIC BIOLOGICAL SCIENCES↗

On a Critical Acceleration Scale of Dark Matter in ΛCDM and Dynamical Dark Energy

Abstract Universal acceleration a 0 emerges in various empirical laws, yet its fundamental nature remains unclear. Using Illustris and Virgo N -body simulations, we focus on the velocity and acceleration fluctuations in collisionless dark matter involving long-range gravity. For comparison, in the kinetic theory of gases, molecules undergo random elastic collisions involving short-range interactions, where only velocity fluctuations are relevant. Hierarchical structure formation proceeds through the merging of smaller halos to form larger halos, which facilitates a continuous energy cascade from small to large halos at a constant rate ε u ≈ −10 −7 m 2 s −3 . Velocity fluctuations involve a critical velocity u c ∝ (1 + z ) −3/4 . Acceleration fluctuations involve a critical acceleration a c ∝ (1 + z ) 3/4 . Two critical quantities are related by the rate of energy cascade ε u ≈ − a c u c /[2(3 π ) 2 ], where factor 3 π is from the angle of incidence during merging. With critical velocity u c on the order of 300 km s −1 at z = 0, the critical acceleration is determined to be a c 0 ≡ a c ( z = 0) ≈ 10 −10 m s −2 , suggesting a c might explain the universal acceleration a 0 ≈ 10 −10 m s −2 in the empirical Tully–Fisher relation or modified Newtonian dynamics. The redshift evolution a c ∝ (1 + z ) 3/4 is in good agreement with Magneticum and EAGLE simulations and in reasonable agreement with limited observations. This suggests a larger a 0 at a higher redshift such that galaxies of fixed mass rotate faster at a higher redshift. Note that for dark energy (DE) density ρ DE 0 ≈ a c 0 2 / G = 1 0 − 10 J m −3 , we postulate an entropic origin of the DE from acceleration fluctuations of dark matter, analogous to the gas pressure from velocity fluctuations. This leads to a dynamical DE coupled to the structure evolution involving a relatively constant DE density followed by a slow weakening phase, suggesting possible deviations from the standard ΛCDM paradigm.

N-body simulations↗