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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Metalloproteins in an Era of Modern Crystallography and Why the Beamline Matters

The Structural Molecular Biology (SMB) macromolecular crystallography (MC) group at the Stanford Synchrotron Radiation Lightsource (SSRL) have developed state-of-the-art capabilities tailored for metalloenzyme structural analysis. Metalloproteins sit at the center of biology’s most audacious chemistry. From multi-electron redox catalysis to radical rearrangements and light-driven transformations, metal sites give proteins access to reaction landscapes that would otherwise be inaccessible under ambient conditions. Yet their study presents a fundamental paradox for MC studies: the very X-rays we use to reveal atomic structure can alter the electronic states we seek to understand. As the field moves beyond static snapshots toward mechanistic insight, success increasingly depends on our ability to maintain metal centers in their native state throughout the experiment. The SSRL SMB-MC beamlines integrate a suite of capabilities specifically designed to address these challenges. By combining in situ spectroscopic verification, intelligent dose management, controlled reaction initiation, optimized anomalous diffraction, and real-time crystallographic diffraction analysis, these tools enable researchers to interrogate metalloproteins with unprecedented rigor. This article explores how these complementary approaches are reshaping our ability to capture metalloprotein chemistry, and what this means for mechanistic studies at synchrotron beamlines.

Maggiolo, Ailiena O. [SLAC National Accelerator La↗
DOE OSTI2022

Synthesis of perovskite polyhedron nanocrystals with equivalent facets and the controlled growth of Pt nanoparticles with differing surface concentration of oxidized Pt 4+ /Pt 2+ species

Co-existence of different surfaces in traditional polycrystalline heterogeneous catalysts imposes a challenge to induce different kinds of catalytic species and average reactivity. Supported metal/oxide model catalyst designed with equivalent well-defined surfaces and active species provides an opportunity to control the uniformity, maintain efficient activity, and understand catalytic mechanisms at the atomic and molecular levels. Herein, sub-20 nm perovskite-structure BaTiO 3 polyhedron nanocuboids and Zr-substituted rhombic dodecahedron nanocrystals were synthesized and employed as the oxide support for the subsequent uniform growth of 1–2 nm Pt nanoparticles. These Pt nanoparticles were well dispersed on the 12 equivalent (110) facets of BaTi 0.75 Zr 0.25 O 3 rhombic dodecahedra and on the 6 equivalent (100) facets of BaTiO 3 nanocuboids. The main active centers on the Pt/BaTi 0.75 Zr 0.25 O 3 catalysts in the oxidized surface layer of Pt (111) facets are Pt 4+ versus Pt 2+ , which is in contrast to the oxidized surface layer of the Pt (100) facets on the Pt/BaTiO 3 cuboids where there are a greater number of Pt 2+ species. Compared with Pt/BaTiO 3 nanocuboids, the Pt/BaTi 0.75 Zr 0.25 O 3 catalysts demonstrated higher CO catalytic oxidation activity with a lower apparent Arrhenius activation energy. Finally, this work advances our ability to synthesize metal/oxide model catalyst that offer equivalent facets and highly uniform active centers with reasonable surface area in order to gain insight in reaction mechanisms.

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

RELAP5-3D validation studies based on the High Temperature Test facility

In the spring and summer of 2019, experiments were conducted at the High Temperature Test Facility (HTTF) that form the basis of an upcoming high-temperature gas-cooled reactor (HTGR) thermal hydraulics (T/H) benchmark. HTTF is an integral effects test facility for HTGR T/H modeling validation. This paper presents RELAP5-3D models of two of those experiments: PG-27, a pressurized conduction cooldown (PCC); and PG-29, a depressurized conduction cooldown (DCC). These models used the RELAP5-3D model of HTTF originally developed by Paul Bayless as a starting point. The sensitivity analysis and uncertainty quantification code, RAVEN was used to perform calibration studies for the steady-state portion of PG-27. Here we developed four PG-27 calibrations based on steady-state conditions. These calibrations all used an effective thermal conductivity equal to 36 % of the measured thermal conductivity, but they differed with respect to the frictional pressure drops and radial conduction models. These models all captured the trends in steady-state temperature distributions and transient temperature behavior well. All four calibrations show room for improvement in predicting the transient temperature rise. The smallest error in temperature rise during the transient was a 21 % underprediction, and the largest was a 48 % underprediction. The errors in transient temperature rise are largely a result of a mismatch in power density between the RELAP5-3D model and the experiment due to the location of active heater rods along the boundary between heat structures in the model. The best of these calibrations was applied to PG-29 to model the DCC. Once again, temperatures during the transient were underpredicted but trends in temperature were captured. The RELAP5-3D model captured trends in the data but could not reproduce measured temperatures exactly. This result is not attributed to deficiencies in the experimental data or to RELAP5–3D itself. Rather, this result likely arises due to the some of the assumptions and decisions made when the RELAP5-3D model was first developed, prior to the execution of HTTF experiments. An agreement in prediction of temperature trends but challenges reproducing HTTF temperatures within measurement uncertainty is consistent with previous analyses of HTTF in the literature. Future RELAP5-3D validation activities centered around HTTF may be able to provide greater insight into the code’s capabilities for HTGR modeling with a more finely nodalized model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Resolving the dynamic correlated disorder in KTa 1- x Nb x O 3

Understanding the complex temporal and spatial correlations of ions in disordered perovskite oxides is critical to rationalize their functional properties. Here, in this study, we provide new insights into the longstanding controversy regarding the off-centering of transition metal ions in the archetypal ferroelectric alloy KTa 1-x Nb x O 3 (KTN). By mapping the full energy (E) and wavevector (Q) dependence of the dynamical structure factor S(Q, E) using neutron scattering, and rationalizing our observations with atomistic simulations leveraging machine learning, we fully resolve the static vs dynamic nature of diffuse scattering sheets, as well as their composition (x) and temperature dependence. Our first-principles simulations, extended with machine-learning molecular dynamics, reproduce both inelastic neutron spectra and diffuse features, and establish how dynamically-correlated transition metal off-centerings couple to phonons, unifying local and collective viewpoints. This study sheds new light into an exemplary ferroelectric systems and shows the importance of mapping the full S(Q, E) to reveal critical spatio-temporal correlations of atomic disorder from which functional properties emerge.

42 ENGINEERING↗
DOE OSTI2020

Iodine interstitials as a cause of nonradiative recombination in hybrid perovskites

The identification of deep-level defects that act as detrimental nonradiative recombination centers is critical for optimizing the optoelectronic performance of hybrid perovskites. Although extensive studies have been devoted to revealing the nature of deep-level defects in hybrid perovskites, it is still unclear what defects are responsible for the experimentally observed nonradiative recombination rates. Employing first-principles approaches, we quantitatively show that the iodine interstitial is a dominant nonradiative recombination center in methylammonium-lead iodide. Finally, this important insight points to a target for defect engineering in order to further improve the performance of hybrid perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Correlated dynamic disorder, octahedral tilts, and acoustic phonon softening in CsSnBr 3 and CsPbBr 3

Metal halide perovskites (MHPs) have emerged as highly promising materials for optoelectronic applications, with all-inorganic MHPs presenting enhanced stability compared to their hybrid counterparts. Here, in this study, we investigate the atomic dynamics and structural fluctuations in single crystals of CsSnBr⁢ 3 and CsPbBr⁢ 3 through systematic inelastic neutron scattering (INS) measurements as a function of temperature. Our experiments are compared with first-principle simulations, augmented with large-scale molecular dynamics modeling, based on machine-learned neural network potentials. Through both INS and simulations, we find quasi-elastic diffuse rods in reciprocal space in both compounds, originating from fluctuating planar domains featuring correlated tilts of Br octahedron. The diffuse rods exhibit a slow, overdamped dynamic process, modulated across 𝑸 space, reflecting the strong lattice anharmonicity of the inorganic framework. We do not find evidence for dynamic off-centering of the Sn 2+ ions besides phonon vibrations at the center of the Br octahedron. These results offer valuable insights into the unusual anharmonic atomic dynamics and intricate correlated structural distortions in MHPs, which will be critical for rationalizing and further tailoring their thermal and optoelectronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance Study of CXL Memory Topology

This paper presents a comprehensive evaluation of the performance impact of various Compute Express Link (CXL) memory topologies, with a particular emphasis on CXL switches, in the context of High- Performance Computing (HPC) and Large Language Model (LLM) inference workloads. Our study unveils significant performance variations across different topologies, demonstrating that certain configurations yield superior performance for specific workloads. These findings underscore the critical importance of tailored topol- ogy selection in optimizing system performance. Additionally, we address the inherent challenges associated with integrating CXL switches, including overhead considerations and routing complex- ities. Our research highlights the necessity for thorough evalua- tion methodologies to fully leverage CXL technology’s potential in contemporary computing environments. These insights provide valuable guidance for system architects and data center operators in designing and optimizing CXL-based infrastructures for diverse workload requirements.

CXL, memory, Artificial Intelligence (AI), HPC↗
NASA NTRS2010

Risk Mitigation Approach to Commercial Resupply to the International Space Station

In August 2006, NASA awarded Space Act Agreements (SAAs) for Commercial Orbital Transportation Services (COTS) under the Commercial Crew and Cargo Project Office at Johnson Space Center. One of the goals of the SAAs is to facilitate U.S. private industry demonstration of cargo transportation capabilities, ultimately achieving reliable, cost effective access to low-Earth orbit (LEO). Each COTS provider is required to complete International Space Stations (ISS) Integration activities, which includes meeting the physical and functional interfaces and interface requirements between the ISS and COTS vehicles. These requirements focus on the areas of risk to the ISS during rendezvous and proximity operations, as well as the integration operations while the COTS vehicle is berthed to the ISS. On December 23, 2008, NASA awarded Commercial Resupply Service (CRS) contracts to provide resupply services to the ISS, following the Shuttle retirement. In addition to performing any ISS Integration activities, NASA will be performing independent assessments of the launch vehicle and orbital vehicle to evaluate the readiness of the contractor to deliver NASA cargo safely to the ISS. This paper will address the activities NASA Centers, both JSC and KSC, in the oversight and insight function over commercial visiting vehicles to the ISS.

Koons, Diane S.↗
NASA NTRSDate not supplied

Optical Characterization of DebriSat Fragments in Support of Orbital Debris Environmental Models

The NASA Orbital Debris Program Office (ODPO) develops, maintains, and updates orbital debris environmental models, such as the NASA Orbital Debris Engineering Model (ORDEM), to support satellite designers and operators by estimating the risk from orbital debris impacts on their vehicles in orbit. Updates to ORDEM utilize the most recent validated datasets from radar, optical, and in situ sources to provide estimates of the debris flux as a function of size, material density, impact speed, and direction along a mission orbit. On-going efforts within the NASA ODPO to update the next version of ORDEM include a new parameter that highly affects the damage risk – shape. Shape can be binned by material density and size to better understand the damage assessments on spacecraft. The in situ and laboratory research activities at the NASA ODPO are focused on cataloging and characterizing fragments from a laboratory hypervelocity-impact test using a high-fidelity, mock-up satellite, DebriSat, in controlled and instrumented laboratory conditions. DebriSat is representative of present-day, low Earth orbit satellites, having been constructed with modern spacecraft materials and techniques. The DebriSat fragment ensemble provides a variety of shapes, bulk densities, and dimensions. Fragments down to 2 mm in size are being characterized by their physical and derived properties. A subset of fragments is being analyzed further in NASA’s Optical Measurement Center (OMC) using broadband, bidirectional reflectance measurements to provide insight into the optical-based NASA Size Estimation Model. Additionally, pre-impact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization. This paper provides an overview of DebriSat, the status of the project, and ongoing fragment characterization efforts within the OMC.

Heather M Cowardin↗
NASA NTRS2021

Optical Characterization of DebriSat Fragments in Support of Orbital Debris Environmental Models

The NASA Orbital Debris Program Office (ODPO) develops, maintains, and updates orbital debris environmental models, such as the NASA Orbital Debris Engineering Model (ORDEM), to support satellite designers and operators by estimating the risk from orbital debris impacts on their vehicles in orbit. Updates to ORDEM utilize the most recent validated datasets from radar, optical, and in situ sources to provide estimates of the debris flux as a function of size, material density, impact speed, and direction along a mission orbit. On-going efforts within the NASA ODPO to update the next version of ORDEM include a new parameter that highly affects the damage risk – shape. Shape can be binned by material density and size to better understand the damage assessments on spacecraft. The in situ and laboratory research activities at the NASA ODPO are focused on cataloging and characterizing fragments from a laboratory hypervelocity-impact test using a high-fidelity, mock-up satellite, DebriSat, in controlled and instrumented laboratory conditions. DebriSat is representative of present-day, low Earth orbit satellites, having been constructed with modern spacecraft materials and techniques. The DebriSat fragment ensemble provides a variety of shapes, bulk densities, and dimensions. Fragments down to 2 mm in size are being characterized by their physical and derived properties. A subset of fragments is being analyzed further in NASA’s Optical Measurement Center (OMC) using broadband, bidirectional reflectance measurements to provide insight into the optical-based NASA Size Estimation Model. Additionally, pre-impact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization. This paper provides an overview of DebriSat, the status of the project, and ongoing fragment characterization efforts within the OMC.

Heather M. Cowardin↗
NASA NTRS2022

Increasing the Uptake of Ecological Model Results in Policy Decisions to Improve Biodiversity Outcomes

Models help decision-makers anticipate the consequences of policies for ecosystems and people; for instance, improving our ability to represent interactions between human activities and ecological systems is essential to identify pathways to meet the 2030 Sustainable Development Goals. However, use of modeling outputs in decision-making remains uncommon. We share insights from a multidisciplinary National Socio-Environmental Synthesis Center working group on technical, communication, and process-related factors that facilitate or hamper uptake of model results. We emphasize that it is not simply technical model improvements, but active and iterative stakeholder involvement that can lead to more impactful outcomes. In particular, trust- and relationship-building with decision-makers are key for knowledge-based decision making. In this respect, nurturing knowledge exchange on the interpersonal (e.g., through participatory processes), and institutional level (e.g., through science-policy interfaces across scales), represent promising approaches. To this end, we offer a generalized approach for linking modeling and decision-making.

Biodiversity-ecosystem function relationships↗
NASA NTRSDate not supplied

Updates on the Debrisat Hypervelocity Experiment and Characterization of Fragments in Support of Environmental Models

To develop, maintain, and update orbital debris environmental and break-up models, such as the NASA Orbital Debris Engineering Model (ORDEM) and the NASA Standard Satellite Breakup Model (SSBM), the NASA Orbital Debris Program Office (ODPO) relies on the most recent validated datasets from various measurement sources, both laboratory and environmental. One key project that will provide insight for break-up events using modern-day spacecraft materials and construction techniques is the DebriSat laboratory hypervelocity-impact test. Based on the mass of the target, the projectile, and the impact velocity, the expected number of fragments greater than 2 mm, generated using the NASA SSBM, was estimated to be close to 85,000. To date, the DebriSat fragment database continues to grow, with over 200,000 fragments collected that will help inform updates to the SSBM. Additionally, the growing fragment ensemble will support key parameters for the next release of NASA’s environmental models, employing fragment shapes, densities, and size distributions. To further support these environmental models, specifically the size parameter used in ground-based optical measurements, optical characterization on a subset of DebriSat fragments is being conducted in ODPO’s Optical Measurement Center (OMC). Broadband bidirectional reflectance distribution (BRDF) measurements will provide insight into the optical-based NASA Size Estimation Model (OSEM). The OSEM equates an object’s brightness to size (e.g., diameter of a disk or sphere) given several assumed parameters, including a defined phase function, albedo, and range. To address the first defined parameter, the ODPO has been using ray-tracing software to simulate light conditions in the OMC and to generate phase functions (i.e., specular, Lambertian, and experimentally-derived) of known shapes, materials, and sizes. This simulated data, in addition to the experimentally derived measurements collected in the OMC, will aid in determining whether a new phase function would be suitable for an updated OSEM. The OSEM also assumes a single-value albedo, thus pre-impact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization and to provide insight into spacecraft material taxonomies. This DebriSat spectral data, along with spectral measurements from other known spacecraft material samples, will allow for better analyses of albedo variations and the effect on size calculations of defined laboratory targets, thus further supporting OSEM updates. This paper provides an overview of DebriSat, the status of the project, updates on the parameter distributions, an overview of the NASA SSBM, and ongoing fragment characterization efforts within the OMC.

Heather Cowardin↗
NASA NTRSDate not supplied

Updates on the DebriSat Hypervelocity Experiment and Characterization of Fragments in Support of Environmental Models

To develop, maintain, and update orbital debris environmental and break-up models, such as the NASA Orbital Debris Engineering Model (ORDEM) and the NASA Standard Satellite Breakup Model (SSBM), the NASA Orbital Debris Program Office (ODPO) relies on the most recent validated datasets from various measurement sources, both laboratory and environmental. One key project that will provide insight for break-up events using modern-day spacecraft materials and construction techniques is the DebriSat laboratory hypervelocity-impact test. Based on the mass of the target, the projectile, and the impact velocity, the expected number of fragments greater than 2 mm, generated using the NASA SSBM, was estimated to be close to 85,000. To date, the DebriSat fragment database continues to grow, with over 200,000 fragments collected that will help inform updates to the SSBM. Additionally, the growing fragment ensemble will support key parameters for the next release of NASA’s environmental models, employing fragment shapes, densities, and size distributions. To further support these environmental models, specifically the size parameter used in ground-based optical measurements, optical characterization on a subset of DebriSat fragments is being conducted in ODPO’s Optical Measurement Center (OMC). Broadband bidirectional reflectance distribution (BRDF) measurements will provide insight into the optical-based NASA Size Estimation Model (OSEM). The OSEM equates an object’s brightness to size (e.g., diameter of a disk or sphere) given several assumed parameters, including a defined phase function, albedo, and range. To address the first defined parameter, the ODPO has been using ray-tracing software to simulate light conditions in the OMC and to generate phase functions (i.e., specular, Lambertian, and experimentally-derived) of known shapes, materials, and sizes. This simulated data, in addition to the experimentally derived measurements collected in the OMC, will aid in determining whether a new phase function would be suitable for an updated OSEM. The OSEM also assumes a single-value albedo, thus preimpact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization and to provide insight into spacecraft material taxonomies. This DebriSat spectral data, along with spectral measurements from other known spacecraft material samples, will allow for better analyses of albedo variations and the effect on size calculations of defined laboratory targets, thus further supporting OSEM updates. This paper provides an overview of DebriSat, the status of the project, updates on the parameter distributions, an overview of the NASA SSBM, and ongoing fragment characterization efforts within the OMC.

Heather Cowardin↗
NASA NTRS1995

Determination of Eros Physical Parameters for Near Earth Asteroid Rendezvous Orbit Phase Navigation

Navigation of the orbit phase of the Near Earth steroid Rendezvous (NEAR) mission will re,quire determination of certain physical parameters describing the size, shape, gravity field, attitude and inertial properties of Eros. Prior to launch, little was known about Eros except for its orbit which could be determined with high precision from ground based telescope observations. Radar bounce and light curve data provided a rough estimate of Eros shape and a fairly good estimate of the pole, prime meridian and spin rate. However, the determination of the NEAR spacecraft orbit requires a high precision model of Eros's physical parameters and the ground based data provides only marginal a priori information. Eros is the principal source of perturbations of the spacecraft's trajectory and the principal source of data for determining the orbit. The initial orbit determination strategy is therefore concerned with developing a precise model of Eros. The original plan for Eros orbital operations was to execute a series of rendezvous burns beginning on December 20,1998 and insert into a close Eros orbit in January 1999. As a result of an unplanned termination of the rendezvous burn on December 20, 1998, the NEAR spacecraft continued on its high velocity approach trajectory and passed within 3900 km of Eros on December 23, 1998. The planned rendezvous burn was delayed until January 3, 1999 which resulted in the spacecraft being placed on a trajectory that slowly returns to Eros with a subsequent delay of close Eros orbital operations until February 2001. The flyby of Eros provided a brief glimpse and allowed for a crude estimate of the pole, prime meridian and mass of Eros. More importantly for navigation, orbit determination software was executed in the landmark tracking mode to determine the spacecraft orbit and a preliminary shape and landmark data base has been obtained. The flyby also provided an opportunity to test orbit determination operational procedures that will be used in February of 2001. The initial attitude and spin rate of Eros, as well as estimates of reference landmark locations, are obtained from images of the asteroid. These initial estimates are used as a priori values for a more precise refinement of these parameters by the orbit determination software which combines optical measurements with Doppler tracking data to obtain solutions for the required parameters. As the spacecraft is maneuvered; closer to the asteroid, estimates of spacecraft state, asteroid attitude, solar pressure, landmark locations and Eros physical parameters including mass, moments of inertia and gravity harmonics are determined with increasing precision. The determination of the elements of the inertia tensor of the asteroid is critical to spacecraft orbit determination and prediction of the asteroid attitude. The moments of inertia about the principal axes are also of scientific interest since they provide some insight into the internal mass distribution. Determination of the principal axes moments of inertia will depend on observing free precession in the asteroid's attitude dynamics. Gravity harmonics are in themselves of interest to science. When compared with the asteroid shape, some insight may be obtained into Eros' internal structure. The location of the center of mass derived from the first degree harmonic coefficients give a direct indication of overall mass distribution. The second degree harmonic coefficients relate to the radial distribution of mass. Higher degree harmonics may be compared with surface features to gain additional insight into mass distribution. In this paper, estimates of Eros physical parameters obtained from the December 23,1998 flyby will be presented. This new knowledge will be applied to simplification of Eros orbital operations in February of 2001. The resulting revision to the orbit determination strategy will also be discussed.

Miller, J. K.↗
DOE OSTI2026

Insights into elevated temperature tensile deformation mechanisms and kink banding in additively manufactured tungsten

Additive manufacturing (AM) potentially enables fabrication and repair of plasma facing components (PFCs) of tungsten. However, deformation mechanisms in AM-fabricated tungsten under service-relevant thermomechanical conditions remain unknown majorly due to challenges in achieving crack-free W. This study reveals the deformation mechanisms operative under tension at 800 °C and 1200 °C in the electron beam melting powder bed fusion (EBM-PBF) fabricated W. Textured columnar grains with mixed <001 >/<111 >|| build-direction were observed. Strong anisotropy in tensile properties persisted across test temperatures, and all specimens exhibited extensive deformation-induced banding phenomena. Grain boundary character analysis of the deformed specimens indicated that these deformation bands were kink bands with tilt grain boundaries prominently present at the band-matrix interface. Interestingly, the material within the kink bands rotated toward higher resolved shear stress, providing insights into the origins of kink band formation in body-centered cubic refractory metals. Intragranular misorientation axis analysis revealed that plasticity was dominated by {110} <111 > slip at 800 °C, whereas additional (213)[11⁢̄1] and (112)[11⁢̄1] slip systems activated at 1200 °C. A dense low-angle boundary networks observed near fractured surface indicated the onset of dynamic recrystallization. Results reveal plasticity governing mechanisms in AM-fabricated W under power plant-relevant conditions, and provide insights into kink band attributes in refractory metals.

Mayes, Riley [ORNL] (ORCID:000900089307010X)↗
DOE OSTI2026

The role of quantum computing in advancing scientific high-performance computing: A perspective from the ADAC institute

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in substantial global investments. While advancements in qubit counts and functionalities continue at a rapid pace, current quantum systems still lack the scalability for practical applications, facing challenges such as too high error rates and limited coherence times. Here, this perspective paper examines the relationship between QC and high-performance computing (HPC), highlighting their complementary roles in enhancing computational efficiency. It is widely acknowledged that even fully error-corrected QC will not be suited for all computational tasks. Rather, future compute infrastructures are anticipated to employ quantum acceleration within hybrid systems that integrate HPC and QC. While QC can enhance classical computing, traditional HPC remains essential for maximizing quantum acceleration. This integration is a priority for supercomputing centers and companies, sparking innovation to address the challenges of merging these technologies. The novelty of this work lies in its unique perspective, reflecting the collective insights of the Accelerated Data Analytics and Computing (ADAC) Institute, a global consortium of over 20 leading HPC centers. Recognizing the growing importance of QC, ADAC established a Quantum Computing Working Group in 2023 to foster collaboration and knowledge-sharing among its members. This paper synthesizes insights from the group’s collaborative efforts and incorporates findings from a member survey that captures shared experiences, ongoing projects, and strategic directions. By outlining the current landscape and challenges of QC integration into HPC ecosystems, this work offers HPC specialists practical and forward-looking guidance on the opportunities and implications of QC in computationally intensive endeavors.

Accelerated Data Analytics and↗
NASA NTRS2019

Planetary Boundary Layer Height from AIRS, MERRA-2, and GPS Radio Occultation Data Products at NASA GES DISC, and Insights from Their Profiles Intercomparison

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provides archive and distribution services for several data products in the Planetary Boundary Layer (PBL) category. As a new variable added to the Atmospheric Infrared Sounder (AIRS) Version 6 support product, the PBL height from AIRS is derived based on the gradients of the retrieved relative humidity profile, and provides the atmospheric pressure at the top of the PBL over the ocean. The GES DISC also hosts the Modern-Era Retrospective analysis for Research and Applications-2 (MERRA-2) product generated by the Goddard Earth Observing System Model Version 5 (GEOS-5) data assimilation system. The PBL height from MERRA-2 is based on the total eddy diffusion coefficient of heat. The monthly PBL height has been made available in the Giovanni system (Giovanni is a Web-based application developed by the GES DISC providing a simple and intuitive way to visualize, analyze, and access vast amounts of Earth science remote sensing data). Recently, the GES DISC began serving the global PBL height climatology product derived from the COSMIC/FORMOSAT-3 and TerraSAR-X Global Positioning System (GPS) radio occultation (RO) measurements from June 2006 to December 2015. In a previous study, we presented the monthly PBL height data from AIRS and MERRA-2 and demonstrated the GES DISC services which support data intercomparison, such as access, plotting, sub-setting, regridding, and generation of a multi-year monthly mean. We also provided intercomparison results, and found that different PBL height definitions contributed to significant differences of PBL height values between AIRS and MERRA-2. In this work, we present the 10-year seasonal climatologies from the AIRS, MERRA-2 and GPS-RO. We also used the cross section and vertical profile services in Giovanni to display and analyze the vertical atmosphere structure over regions where the PBL height derived from the AIRS and MERRA-2 are quite different. The examination of the AIRS and MERRA-2 three-dimensional data found that the relative humidity profiles had larger differences than the temperature profiles. The MERRA-2 gives more details than the AIRS for the vertical distribution of the humidity.

Ding, Feng↗
NASA NTRS1978

Buckling tests of structural elements applicable to large erectable space trusses

Detailed data on columns and center a joint for completeness is presented. Buckling data for a tripod arrangement of these columns using a cluster joint is also presented. The objectives of these test are: (1) to gain insight into joint requirements for truss structure; (2) to assess the structural qualities of the column and center joint designs; (3) to investigate the restraint provided by octetruss core members (tripod) to the cluster joints; (4) to provide insight into the level of analysis required to predict buckling behavior of Gr/E nestable columns both as simple columns and in a tripod arrangement; and (5) to provide a data base for Gr/E nestable columns.

Heard, W. L., Jr.↗