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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

EBSD of Rough Native CuInGaSe2 Thin-Films

The polycrystalline Cu (In, Ga) Se2, or CIGS, based thin-film materials system has long been studied for use in photovoltaic technologies, where its bandgap tunability, mechanical flexibility, and relatively low production costs are all appealing. Nonetheless, significant defect populations, which serve to reduce efficiency, create performance instabilities, and increase concerns about long-term reliability, have hindered wide-scale adoption. Prior work, including application of a scanning probe based deep level trap spectroscopy (SP-DLTS) defect mapping technique and scanning transmission electron microscope (STEM) based electron energy loss spectroscopy (EELS), has shown that the most detrimental defects, with energy level near mid-gap (thus serving as a carrier recombination center), are most likely caused by CuIn/Ga antisites and tend to cluster at or around certain grain boundaries [1,2]. However, the exact nature of these particular boundaries — their structures, chemistries, or even the relative misorientation of their associated grains — and their relation to this defect clustering and/or its formation is yet unknown. As such, electron backscatter diffraction (EBSD) orientation mapping, directly correlated with defect-sensitive techniques like SP-DLTS and/or STEM-EELS, could prove critical for providing the final missing links toward understanding the mechanisms behind these defects. Indeed, recent studies using correlative electron beam induced current (EBIC) with EBSD have been able to identify boundaries, and their relative misorientations, that possess detrimental electronic properties [3]. However, because EBIC is unable to resolve the defect energy levels, many questions are left unanswered. Furthermore, this study, and others like it, employed focused ion beam (FIB) milling to flatten the natively-rough CIGS [3-5], which may run the risk of changing the nature of any near-surface defect structures.

14 SOLAR ENERGY↗
DOE OSTI2023

Deep learning Hamiltonians from disordered image data in quantum materials

The capabilities of image probe experiments are rapidly expanding, providing new information about quantum materials on unprecedented length- and timescales. Many such materials feature inhomogeneous electronic properties with intricate pattern formation on the observable surface. This rich spatial structure contains information about interactions, dimensionality, and disorder—a spatial encoding of the Hamiltonian driving the pattern formation. Image recognition techniques from machine learning are an excellent tool for interpreting information encoded in the spatial relationships in such images. Here, we develop a deep learning framework for using the rich information available in these spatial correlations in order to discover the underlying Hamiltonian driving the patterns. We first vet the method on a known case, scanning near-field optical microscopy on a thin film of V⁢O 2 . We then apply our trained convolutional neural network architecture to new optical microscope images of a different V⁢O 2 film as it goes through the metal-insulator transition. We find that a two-dimensional Hamiltonian with both interactions and random field disorder is required to explain the intricate, fractal intertwining of metal and insulator domains during the transition. This detailed knowledge about the underlying Hamiltonian paves the way for using the model to control the pattern formation via, e.g., tailored hysteresis protocols. Finally, we also introduce a distribution-based confidence measure on the results of a multilabel classifier, which does not rely on adversarial training. In addition, we propose a machine-learning-based criterion for diagnosing a physical system's proximity to criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2017

Dynamic Control System Mode Performance of the Space Technology-7 Disturbance Reduction System

The Space Technology-7 (ST-7) Disturbance Reduction System (DRS) is an experiment package aboard the European Space Agency (ESA) LISA Pathfinder spacecraft, launched on December 3, 2015. DRS consists of three primary components: Colloidal MicroNewton Thrusters (CMNTs), an Integrated Avionics Unit (IAU), and flight-software implementing the Command and Data Handling (C&DH) and Dynamic Control System (DCS) algorithms. The CMNTs were designed to provide thrust from 5 to 30 micro Newton, with thrust controllability and resolution of 0.1 micro Newton and thrust noise of 0.1 micro Newton/(square root of (Hz)) in the measurement band from 1-30 mHz. The IAU hosts the C&DH and DCS flight software, as well as interfaces with both the CMNT electronics and the LISA Pathfinder spacecraft. When in control, the DCS uses star tracker attitude data and capacitive or optically-measured position and attitude information from LISA Pathfinder and the LISA Technology Package (LTP) to control the attitude and position of the spacecraft and the two test masses inside the LTP. After completion of the nominal ESA LISA Pathfinder mission, the DRS experiment was commissioned followed by its nominal mission. DRS operations extended over the next five months, interspersed with station keeping, anomaly resolution, and periods where control was handed back to LISA Pathfinder for them to conduct further experiments. The primary DRS mission ended on December 6, 2016, with the experiment meeting all of its Level 1 requirements. The DCS, developed at the NASA Goddard Space Flight Center, consists of five spacecraft control modes and six test mass control modes, combined into six 'DRS Mission Modes'. Attitude Control and Zero-G were primarily used to control the spacecraft during initial handover and during many of the CMNT characterization experiments. The other Mission Modes, Drag Free Low Force, 18-DOF Transitional, and 18-DOF, were used to provide drag-free control of the spacecraft about the test masses. This paper will discuss the performance of these DCS spacecraft and test mass control modes. Flight data will be shown from each mode throughout the mission, both from nominal operations and during various flight experiments. The DCS team also made some changes to controller, filter, and limit parameters during operations; the motivation and results of these changes will be shown and discussed.

O'Donnell, James R., Jr.↗
DOE OSTI2024

Federated Access from DOE Labs to Distributed Storage in the EIC Era of Computing

The Electron Ion Collider (EIC) collaboration and future experiment is a unique scientific ecosystem within Nuclear Physics as the experiment starts right off as a crosscollaboration between Brookhaven National Lab (BNL) & Jefferson Lab (JLab). As a result, this muti-lab computing model tries at best to provide services accessible from anywhere by anyone who is part of the collaboration. While the computing model for the EIC is not finalized, it is anticipated that the computational and storage resources will be made accessible to a wide range of collaborators across the world. The use of federated ID seems to be a critical element to the strategy of providing such services, allowing seamless access to each lab site computing resources. However, providing Federated access to a Federated storage is not a trivial matter and has its share of technical challenges. In this contribution, we focus on the steps we took towards the deployment of a distributed object storage system that integrates with Amazon S3 and Federated ID. We will first cover for and explain the first stage storage solutions provided to the EIC during the detector design phase. Our initial test deployment consisted of Lustre storage using MinIO, hence providing an S3 interface. High Availability load balancers were added later to provide the initial scalability it lacked. Performance of that system will be shown. While this embryonic solution worked well, it had many limitations. Looking ahead, the Ceph object storage is considered a top-of-the-line solution in the storage community - since the Ceph Object Gateway is compatible with the Amazon S3 API out of the box, our next phase will use a native S3 storage. Our Ceph deployment will consist of erasure coded storage nodes to maximize storage potential along with multiple Ceph Object Gateways for redundant access. We will compare performance of our next stage implementations. Finally, we will present how to leverage OpenID Connect with the Ceph Object Gateway’s to enable Federated ID access. We hope this contribution will serve the community needs as we move forward with cross-lab collaborations and the need for Federated ID access to distributed compute facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Characterizing sample degradation from synchrotron based X-ray measurements of ultra-thin exfoliated flakes

It is undeniable that novel 2D devices and heterostructures will have a lasting impact on the advancement of future technologies. However, the inherent instability of many exfoliated van der Waals (vdW) materials is a well-known hurdle yet to be overcome. Thus, the sustained interest in exfoliated vdW materials underscores the importance of understanding the mechanisms of sample degradation to establish proactive protective measures. Here, the impact of prolonged synchrotron-based X-ray beam exposure on exfoliated flakes of two contemporary vdW materials, NiPS 3 and α-RuCl 3 , is explored using resonant inelastic X-ray scattering (RIXS) and total fluorescence yield X-ray absorption spectroscopy (XAS). In NiPS 3 , the resulting RIXS and XAS spectra show a suppression, then vanishing, of NiS 6 multiplet excitations coupled with an upward shift of the peak energy of the XAS as a function of X-ray dose. In α-RuCl 3 , the signs of beam damage from the RIXS spectra are less evident. However, the post-experiment characterization of both materials using Raman spectroscopy exhibits signals of an amorphous and disordered system compared to pristine flakes; in addition, energy-dispersive X-ray spectroscopy of NiPS 3 shows evidence of ligand vacancies. As synchrotron radiation is fast becoming a required probe to study 2D vdW materials, these findings lay the groundwork for the development of future protective measures for synchrotron-based prolonged X-ray beam exposure, as well as for X-ray free electron laser.

2D magnetism↗
NASA NTRS2000

Potential Challenges in Near-Field Scanning Optical Microscopy for Space Applications

Near-field scanning optical microscopy (NSOM) also called scanning near-field optical microscopy (SNOM) is now well accepted as a powerful tool for sub-wavelength (nanoscale in the optical region) spatial resolution microscopy and a large number of related tasks. The importance lies in the fact of strategic advantages of standard microscopy but with significantly enhanced resolution. Since many modern optical diagnostic techniques have found useful applications in space, it is logical to consider the future role of NSOM in such situations. For example, protein crystal growth study under microgravity conditions is a valid candidate. If applied successfully, processes at molecular level can be studied during the growth. NSOM has already been demonstrated to be useful for the study of such crystals here on earth. The basic principle of NSOM can be illustrated. The illumination-collection mode is shown although several other possible approaches exist. In this, the sample is illuminated and the light from the sample is collected through the same tiny aperture opening. A tapered optical fiber is scanned near the sample surface. The tip is coated generally with a metal with a sub-wavelength aperture opening. The tip-sample distance is maintained constant while scanning. Thus, the optical signal available for collection is generally a function of the optical properties of the sample surface. Since the aperture is sub-wavelength in diameter and the tip is held very close (again in the sub-wavelength domain) to the surface, the lateral resolution in the sub-wavelength domain is obtained. Thus, the typical wavelength- order resolution of ordinary microscopy can be significantly enhanced while maintaining the strategic advantages (no need of sample in vacuum chamber, electron beams, etc). Commercial NSOM systems play a key role in the success and widespread acceptance of the tool. These commercial systems work fairly well in laboratory conditions on earth. However, they may not be deployed on a space mission as such with comparable outcome. In this communication we discuss several potential problems and some possible solutions.

Vikram, Chandra S.↗
DOE OSTI2020

Roles of Carburization and Oxidation on Transition-Metal Catalyzed Surface Reactions

Many industrial chemical transformation processes are based on reactions catalyzed by transition metals. In some cases the nano-size particles used as catalysts are synthesized simultaneously or right before the initiation of the main catalytic reaction. Synthesis treatments involve complex processes such as reductions followed by calcinations in oxygenated environments coupled to the presence of gases used for the main reaction. Synthesis details are crucial because they have important consequences on the catalyst shape, size, and chemical composition, and may also affect the structure and composition of the catalyst support. All these effects may alter the main catalyzed reaction in unexpected ways. This work focuses on the synthesis of the overall catalytic system that includes catalyst and support taking place in parallel with the initial stages of the main catalyzed reaction. Two important processes are characterized: carburization and oxidation of the transition metal catalyst during synthesis or initial stages of the main reaction. The objective is to understand how the coking mechanism coupled to surface oxidation and changes in the substrate influence the dry reforming of methane taken as a model reaction. The approach uses first principles computational methods to investigate the catalyst synthesis and characterization and catalytic reaction mechanisms. These studies are complemented with experimental characterization done by the group of Dr. Renu Sharma at the National Institute of Standards and Technology (unfunded collaborator) using high resolution transmission electron microscopy. Specific goals are to identify the role of the synthesis process on the initial nanocatalyst structure and composition, and to determine how that structure and composition may evolve after being exposed to the reactants atmosphere. These studies facilitate a systematic analysis of conditions where the nanoparticle composition can be optimized regarding activity and stability. Moreover, the fundamental study of catalyst/support interactions yields valuable insights for other catalytic processes and is a first step toward controlled nanocatalyst synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deep Eutectic Solvents as Candidates for Lithium Isotope Enrichment

Nuclear fusion is a phenomenon that is well known within the nuclear physics community as a viable option for alternative energy as many natural gases and fossil fuels are phased out of commercial use. Deuterium and tritium fusion reactions are currently the leading candidates for nuclear fusion, with a major limiting factor being a means to produce tritium on an industrial scale. Lithium-6 is a well-known isotope that can produce tritium and helium following a fission reaction with a neutron. Unfortunately, the lithium-6 enrichment methods are limited to the COLEX process, which leaves behind an alarming amount of mercury waste as a potential environmental contaminant. Deep eutectic solvents are believed to be a potential alternative to lithium isotope separations due to the ease of generation, in addition to the minimum environmental waste generated when these solvents are employed. Previous studies have suggested that deep eutectic solvents are capable of separating lithium isotopes by utilizing a 2-thenoyltrifluoroacetone and trioctylphosphine oxide system that can biphasically react with a buffered solution containing lithium chloride. This system displays a separation factor of 1.068, which when compared to the 1.054 separation within the COLEX process, makes it a potential candidate for lithium-6/7 separation. Within this study, we investigate this system in comparison to two newly synthesized deep eutectic solvents and find that within these acetylacetone-based systems, little isotopic separation is observed. We investigate these systems both experimentally and computationally, showing the different lithium cation affinities, in addition to proposing how the electron-donating or -withdrawing nature can influence these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Carbon petrology in cometary dust

Chondritic porous (CP) interplanetary dust particles (IDP's) are collected in the Earth's stratosphere. There exists an extensive database on major and minor element chemistry, stable isotopes, noble gas abundances and mineralogy of many CP IDP's, as well as infrared and Raman spectroscopic properties. For details on the mineralogy, chemistry and physical properties of IDP's, I refer to the reviews by Mackinnon and Rietmeijer (1987), Bradley et al. (1988) and Sandford (1987). Texture, mineralogy (Mackinnon and Rietmeijer, 1987) and chemistry (Schramm et al., 1989; Flynn and Sutton, 1991) support the notion that CP IDP's are a unique group of ultrafine-grained extraterrestiral materials that are distinct from any known meteorite class. Their fluffy, or porous, morphology suggests that CP IDP's probably endured minimal alteration by protoplanetary processes since their formation. It is generally accepted that CP IDP's are solid debris from short-period comets. The evidence is mostly circumstantial but this notion gained significant support based on the comet Halley dust data (Brownlee, 1990). In this paper, I will accept that CP IDP's are indeed cometary dust. The C/Si ratio in CP IDP's is 3.3 times higher than in CI carbonaceous chondrites (Schramm et al. 1989). The intraparticle carbon distribution is heteorogeneous (Rietmeijer and McKay, 1986). Carbon occurs both in oxidized and reduced forms. Analytical electron microscope (AEM) and Raman spectroscopic analyses have shown the presence of several carbon forms in CP IDP's but the data are scattered in the literature. Carbons in cometary CP IDP's are among the most pristine Solar System carbons available for laboratory study. Similar to a recently developed petrological model for the diversity of layer silicates in CP IDP's (Zolensky, 1991) that is useful to constrain in situ aqueous alteration in comets (Rietmeijer and Mackinnon, 1987a), I here present the first effort to develop a petrological concept of carbons in CP IDP's. This concept is useful to constrain comet evolution. I also present the philosophical constraint facing Earth Scientists in studies of protoplanets that require a new approach to cometary dust studies.

Rietmeijer, Frans J. M.↗
NASA NTRSDate not supplied

Spacecraft Cabin Ventilation Fan Research at NASA

NASA has recently made the geometry and solid model for a spacecraft cabin ventilation fan prototype available to the public via electronic file downloads from the NASA Technical Report Server. This fan can be used for research and development by many organizations. The fan is 3.5 inches in diameter, 9 inches long, and weighed 3.6 lb. The NASA Quiet Space Fan was designed to make 3.64 inches of water pressure rise at 150.3 cfm of airflow at 12,000 rpm at standard air conditions of 70ºF and 14.7 psia. The performance of the metal version of the fan was measured to be 3.48 inches of water at 150.6 cfm at design speed. A low-noise blade-vane count was chosen to try to reduce tone noise generated by this fan by cutting off the first three blade passing frequency tones. In-duct microphone array measurements indicated that the most evident tones occur for frequencies of 1800 Hz (1 BPF) and 7200 Hz (4 BPF). Using reverberant room standard testing methods, the A-weighted sound power level for the fan operating at design point conditions was measured to be 71 dBA. This report describes the current set of publicly available information for this fan. The fan was designed, optimized, and tested with tools and techniques that NASA has traditionally used for turbofan engine research. This is one way that technology developed for aerospace applications can be used more broadly, since quiet and efficient fans are needed for many ventilation systems on spacecraft, aircraft, watercraft, land vehicles, and buildings.

fan, noise, ventilation↗
NASA NTRSDate not supplied

A Notional Artemis Lunar Surface Exploration Package (ArLSEP) based on the Gandalf Staff Platform

Introduction: The Artemis program is planning to deliver crew and cargo to the lunar surface, but there is no current package for supporting lunar in-struments and experiments similar to the Apollo Lunar Surface Exploration Package (ALSEP). This abstract provides a possible concept for such a package using the Gandalf Staff Platform as a common core. Gandalf Staff: The Gandalf Staff is an early prototype system developed over FY’21/FY’22 using NASA Science Technology Mission Directorate (STMD) Center Information Fund (CIF) grants to de-sign, build and test “proof-of-concept” components. These components include a 24v battery powered monopole that powers a suite of subsystems, including a Graphical User Interface (GUI) for crew, surface voice and data communications, Lunar Search and Rescue (LunaSAR) navigation and communications, LiDAR, field site external lighting, 360-degree camera, and a geothermal instrument for measuring sub-surface temperature gradient. The staff can be carried independently by an Extra-Vehicular Activity (EVA) astronaut, or can be mounted into a tripod for “hands free” support at a surface site being investigated. The staff can be attached to an external solar array and power storage system for long-duration operations. [1,2] ALSEP: An ASLEP flew on each mission Apollo 12 to Apollo 17. For Apollo 11, a simplified packaged called the Early Apollo Scientific Experiments Pack-age (EASEP) was flown. Each package included a “Central Station” that provided the power and communications connected to a variety of instruments and sensors. The power was provided by a Radioisotope Thermoelectric Generator (RTG) fueled by Plutoni-um-238 generating 70 watts of power (initially, decayed over time) [3]. The communications system provide for direct to Earth data transfer from the lunar surface. Each pack-age was stowed externally in the Lunar Module (LM) Scientific Equipment (SEQ) bay with a mass up to 163 kg (Apollo 17). The crew unloaded the ALSEP from the LM and deployed the instruments on the lunar surface. Although designed to operate for only 1 year, many sites operated for up to 8 years successfully [4]. The Active Seismic Experiment (ASE) included 3 geophones for detecting seismic waves created by mortars and thumpers deployed by the crew. Other active experiments measured the lunar atmosphere, the heat flow in the subsurface, the lunar gravity and potential gravity waves, the lunar magnetic field, the solar wind and plasma interactions in cislunar space. Passive experiments included collectors for dust and cosmic rays, and retroreflectors for precise measurements of distance using a laser from Earth. The ALSEP program continues to generate insights into lunar formation and evolution. ArLSEP Concepts: The lunar surface science package for the Artemis program will hopefully exceed the capability of the ALSEP. There are multiple issues for discussion leading to the design of a new ArLSEP, needing requirements definition from the science community, NASA mission architecture, and NASA budget planners. 1. Delivery Mechanism Two possible projects currently provide capability to deliver scientific cargo to the lunar surface: 1) the Commercial Lunar Payload Services (CLPS) [5] and the Human Landing System (HLS) [6, 7]. Each project is controlled by a different organization within NASA and budgeted with different criteria although both support lunar exploration. The HLS system delivers crew (and potentially cargo) to human landing sites. If an ArLSEP is “predeployed” to such a site, the design must include power (either from the vehicle or independently) to keep the electronics functioning until deployed by the crew. If an ArLSEP is delivered on a vehicle after the crew is present on the lunar surface, safety protocols require adequate distance from the humans for impact from descent propelled sur-face regolith ejecta. This distance can not exceed the capability of the crew to walk (if no rover) to the vehicle for ArLSEP deployment. 2. Overall Guidelines The general design of ArLSEP will likely follow the ALSEP with a common system for communications and power; however, significant architecture differences between Apollo and Artemis exist. Power: The RTG will not be available for early Artemis missions nor likely follow-on Lunar Exploration Transportation Services (LETS) missions [8]. Thus, ArLSEP power must be supplied by solar arrays with sufficient battery capability to “keep alive” necessary electronics during any lunar surface eclipse period. Communication: The Artemis program is developing a series of communications satellites for lunar orbit to provide surface transmission of data and voice to Earth. Called “LunaNET”, this network is component useful for ArLSEP since south polar locations may not always have direct “line-of-sight” to Earth [9]. 3. Concept of Operations (ConOps) The general ConOps for ArLSEP is to deliver the package to lunar surface before the crew arrives, and then have the crew deploy the package after some period of time. This requires coordinated design (for power systems) and launch window (for schedule) on both the cargo and crew missions. Once the ArLSEP is deployed, it will operate autonomously for a number of years. It should be designed to be EVA compatible for crew maintenance and upgrade. 4. Notional Design (for discussion purpose only) The landing site near the South Pole is expected to have no eclipse cycle exceeding 5 days, so the “keep alive” power is 144 hours (6 days to include margin). A 12v ArLSEP will use rechargeable LiFePO4 cells, which are common in the Electric Vehicle (EV) industry. With a current of 5 amps and a 125 watt system, the mass is about 90kg. The comm. system and structure adds another 10kg, thus the “Central Station” is approximately 100kg. The solar power is collected on four arrays (each 2m above the surface), and the entire ArLSEP is designed to stow in a 2m x 1m x 1m volume. The experiment and instrument design will vary for each installation and add mass to the total (although they are expected to fit within the 2m3 volume). Seismic wave generation will likely not be provided with mortars, thus an electric “thumper” will be required. Active instruments such as imaging systems and sensing instruments will benefit from the additional power and communication capability provided by ArLSEP. Passive systems such as retroreflectors, witness plates, and cosmic dust collectors can be added to either the landing vehicle and/or the ArLSEP. With repeated HLS missions to the same human site, the ArLSEP can be expanded and easily maintained for long duration science collection on the lunar surface.

ALSEP↗
DOE OSTI2023

Opening the Bandgap of Metallic Half-Heuslers via the Introduction of d–d Orbital Interactions

Half-Heusler compounds with semiconducting behavior have been developed as high-performance thermoelectric materials for power generation. Many half-Heusler compounds also exhibit metallic behavior without a bandgap and thus inferior thermoelectric performance. Here, taking metallic half-Heusler MgNiSb as an example, a bandgap opening strategy is proposed by introducing the d–d orbital interactions, which enables the opening of the bandgap and the improvement of the thermoelectric performance. The width of the bandgap can be engineered by tuning the strength of the d–d orbital interactions. The conduction type and the carrier density can also be modulated in the Mg 1- x Ti x NiSb system. Both improved n-type and p-type thermoelectric properties are realized, which are much higher than that of the metallic MgNiSb. The proposed bandgap opening strategy can be employed to design and develop new half-Heusler semiconductors for functional and energy applications.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Enabling Technologies for Entrepreneurial Opportunities in 3D printing of SmallSats

A consortium of innovative experts in additive manufacturing (AM) comprising Northrup Grumman Technical Services, University of Texas at El Paso (UTEP), Configurable Space Microsystems Innovations & Applications Center (COSMIAC), NASA Glenn Research Center (GRC), and Youngstown State University, have made significant breakthroughs in the goal of creating the first complete 3D printed small satellite. Since AM machines are relatively inexpensive, this should lead to many entrepreneurial opportunities for the small satellite community. Our technology advancements are focused on the challenges of embedding key components within the structure of the article. We have demonstrated, using advanced fused deposition modeling techniques, complex geometric shapes which optimize the spacecraft design. The UTEP Keck Center has developed a method that interrupts the printing process to insert components into specific cavities, resulting in a spacecraft that has minimal internal space allocated for what traditionally were functional purposes. This allows us to increase experiment and instrument capability by provided added volume in a confined small satellite space. Leveraging initial progress made on a NASA contract, the team investigated the potential of new materials that exploit the AM process, producing candidate compositions that exceed the capabilities of traditional materials. These "new materials" being produced and tested include some that have improved radiation shielding, increased permeability, enhanced thermal properties, better conductive properties, and increased structural performance. The team also investigated materials that were previously not possible to be made. Our testing included standard mechanical tests such as vibration, tensile, thermal cycling, and impact resistance as well as radiation and electromagnetic tests. The initial results of these products and their performance will be presented and compared with standard properties. The new materials with the highest probability to disrupt the future of small satellite systems by driving down costs will be highlighted, in conjunction with the electronic embedding process.

Communications↗
DOE OSTI2024

Splitting of the Girvin-MacDonald-Platzman Density Wave and the Nature of Chiral Gravitons in the Fractional Quantum Hall Effect

A fundamental manifestation of the nontrivial correlations of an incompressible fractional quantum Hall (FQH) state is that an electron added to it disintegrates into more elementary particles, namely fractionally-charged composite fermions (CFs). We show here that the Girvin-MacDonald-Platzman (GMP) density-wave excitation of the 𝜈=𝑛/(2⁢𝑝⁢𝑛±1) FQH states also splits into more elementary single CF excitons. In particular, the GMP graviton, which refers to the recently observed spin-2 neutral excitation in the vanishing wave vector limit [Liang et al., Nature 628, 78 (2024)], remains undivided for 𝜈 =𝑛/(2⁢𝑛 ±1) but splits into two gravitons at 𝜈 =𝑛/(4⁢𝑛 ±1) with 𝑛 >1. Here, a detailed experimental confirmation of the many observable consequences of the splitting of the GMP mode should provide a unique window into the correlations underlying the FQH effect.

Composite fermions↗
DOE OSTI2024

Phase stability in the Hf-N and Zr-N systems

Hf and Zr nitrides are promising compounds for many technologically important areas, including high-temperature structural applications, quantum computing, and solar and optical applications. Here, this article reports on a comprehensive first-principles statistical mechanics study of phase stability in the Hf-N and Zr-N binary systems. A high solubility of nitrogen in the hcp forms of Hf and Zr is predicted. The rocksalt forms of HfN and ZrN can also tolerate a high degree of off-stoichiometry through the introduction of nitrogen and metal vacancies. The Hf-N binary favors a family of stacking faulted parent crystal structures at intermediate nitrogen concentrations that host a unique form of short-range order among nitrogen interstitials and vacancies. These phases can accommodate some degree of configurational entropy and remain ordered to temperatures as high as 1200 K.

Monte Carlo methods↗
DOE OSTI2023

Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets

Abstract Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such ‘apparent effects’, ‘hidden effect X’ refers to the general condition where the nominal global system symmetry would disallow the effect X, whereas the symmetry of local sectors within the crystal would enable effect X. Known examples include the hidden Rashba and/or hidden Dresselhaus spin polarization that require spin-orbit coupling, but unlike their apparent counterparts are demonstrated to exist in non-magnetic systems even in inversion-symmetric crystals. Here, we discuss hidden spin polarization effect in collinear antiferromagnets without the requirement for spin-orbit coupling (SOC). Symmetry analysis suggests that antiferromagnets hosting such effect can be classified into six types depending on the global vs local symmetry. We identify which of the possible collinear antiferromagnetic compounds will harbor such hidden polarization and validate these symmetry enabling predictions with first-principles density functional calculations for several representative compounds. This will boost the theoretical and experimental efforts in finding new spin-polarized materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

X-ray Computed Tomography of Irradiated and Unirradiated AGR-3/4 Compacts

X-ray Computed Tomography (XCT) has been utilized to image and characterize compacts from the combined third and fourth irradiation of the Advanced Gas Reactor (AGR) Program, AGR-3/4, fuel. The experiment contained tristructural isotropic (TRISO)-coated fuel particles as well as designed-to-fail (DTF) fuel particles. Two irradiated compacts, representing the lower and higher range of AGR-3/4 burnup (4.85% and 14.92% fissions per initial heavy metal atom FIMA) were examined. These represent the first known highly irradiated TRISO fuel compacts to be examined via X-ray CT. Additionally, two unirradiated compacts from the same production batch as the examined irradiation compacts were also imaged for a baseline comparison. As XCT of irradiated TRISO compacts is not a commonly implemented characterization technique, a significant portion of the report focuses on developed methodology and imaging conditions. A specialized sample shielding device was developed and fabricated specifically to limit received dose to staff during sample preparation for XCT and to minimize excess gamma radiation dose to sensitive electronic components with the utilized X-ray system. Significant penetration through the uranium oxycarbide fuel kernels by significantly hardening the X-ray beam with specialized proprietary filters acquired from Carl Zeiss NTS Ltd. The filter utilized resulted in an average X ray photon energy of ~110 keV which approaches uranium’s K-edge (~115 keV), maximizing penetration for a microfocus X-ray source. The gamma-radiation emitted from the irradiated AGR-3/4 TRISO compacts, has the same properties and mechanisms for interaction with matter as X-rays, thus the detection of gamma-radiation by the utilized X-ray detectors was initially a concern. However, although ?-rays did produce an observable signal on the X-ray detector, its contribution to the overall imaging results appeared negligible upon 3D reconstruction. The neglibile impact on the resulting 3D reconstructed volumes were likely the result of: (1) a significantly lower detection efficiency for ?-rays relative to X-rays; (2) An X-ray flux at the detector several orders of magnitude higher than that of the impinging ?-rays from the irradiated compacts. These results suggest that irradiated compacts with significantly higher radiation fields can be examined in the future if an acceptable route for sample handling and preparation can be determined. Additionally, the 3D imaging results of XCT can provide a valuable means of assessing compacts. While in many ways complimentary to traditional post irradiation examination techniques such as optical ceramography, XCT can provide additional insight into compact features traditionally difficult to discern directly from cross-sectional imaging alone. Preliminary analyses on kernel size, morphology (aspect ratio and sphericity), and kernel orientation were presented. Sphericity, a simple morphological shape descriptor, was utilized to screen for kernel extrusions within the high burnup compact. The number of kernel extrusions identified via XCT represented an approximate two-fold increase from the quantity of extruded particles observed (via optical ceramography) in adjacent compacts from the same irradiation capsule. While numerical analysis of the compact datasets was highly preliminary, initial results show promise for providing complimentary metrics to current AGR-3/4 PIE and potentially additional insight into the processes driving TRISO fuel degradation during reactor operation. Additional analyses to be performed at a later date include a more detailed examination of kernel size, kernel sphericity (and observed kernel extrusions), and sphericity. Given all particles can be observed in a single data volume possible correlation of spatial position with observed kernel features will also be made at a later date.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Magnetic field frustration of the metal-insulator transition in V 2 O 3

Despite decades of efforts, the origin of metal-insulator transitions (MITs) in strongly correlated materials remains one of the main long-standing problems in condensed-matter physics. An archetypal example is V 2 O 3 , which undergoes simultaneous electronic, structural, and magnetic phase transitions. This remarkable feature highlights the many degrees of freedom at play in this material. In this work, acting solely on the magnetic degree of freedom, we reveal an anomalous feature in the electronic transport of V 2 O 3 : On cooling, the magnetoresistance changes from positive to negative values well above the MIT temperature, and shows divergent behavior at the transition. In this work, the effects are attributed to the magnetic field quenching antiferromagnetic fluctuations above the Néel temperature $T_N$, and preventing long-range antiferromagnetic ordering below $T_N$. In both cases, suppressing the antiferromagnetic ordering prevents the opening of the incipient electronic gap. This interpretation is supported by Hubbard model calculations which fully reproduce the experimental behavior. Our study sheds light on this classic problem providing a clear and physical interpretation of the nature of the metal-insulator transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗