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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Data for Photoenzymatic Enantioselective Intermolecular Radical Hydroamination

Since the discovery of Hofmann–Löffler–Freytag reaction more than 130 years ago, both the structure and reactivity of nitrogen-centred radicals have been widely studied. Nevertheless, catalytic enantioselective intermolecular radical hydroamination remains a challenge due to the existence of side reactions, the short lifetime of nitrogen-centred radicals and lack of understanding of the fundamental catalytic steps. In the laboratory, nitrogen-centred radicals are produced with radical initiators, photocatalysts or electrocatalysts. In contrast, their generation and reaction are unknown in nature. Here we report a pure biocatalytic system for the photoenzymatic production of nitrogen-centred radicals and enantioselective intermolecular radical hydroaminations by successfully repurposing an ene-reductase through directed evolution. These reactions progress efficiently at room temperature under visible light without any external photocatalysts and exhibit excellent enantioselectivities. A detailed mechanistic study reveals that the enantioselectivity originates from the radical-addition step while the reactivity originates from the ultrafast photoinduced electron transfer from reduced flavin mononucleotide to nitrogen-containing substrates.

Catalysis↗
DOE OSTI2019

M4SF-19LL010301042: Code Development in Support of the SFWST Thermodynamic Database

This progress report (Level 4 Milestone Number M4SF-19LL010301042) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number SF-19LL010301041. LLNL is leading efforts in the development of thermodynamic databases in support of the Spent Fuel and Waste and Science Technology (SFWST) program. Thermodynamic models provide the basis for understanding the stability of solid phases and speciation of aqueous species and modeling the evolution of repository conditions. The LLNL effort is being performed in coordination with other US database development efforts. The effort includes a review of available thermochemical databases and a path forward for database integration. International coordination with the NEA-TDB is supported through crystalline international work package

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1982

Conditions of formation of pyroxene excentroradial chondrules

Understanding the exact mechanism of origin of chondrules and the attendant physical conditions remains a key factor in understanding the early evolution of the solar system. The present investigation is concerned with an interpretation of the range of cooling histories needed to make chondrules. Chondrule-like spherules were formed in dynamic crystallization experiments, using gas-mixing facilities. It is found that textures in pyroxene-rich chondrules are well reproduced in the laboratory by cooling melts of chondrule composition from just above the liquidus. The range of pyroxene dendrite widths is slightly greater for natural chondrules than for droplets cooled from 50 C/hr to greater than 3000 C/hr. A blanketing medium of variable thickness explains the cooling rates lower than expected for radiative cooling. Experimental results, textures indicating incomplete melting, and isotopic disequilibrium are compatible with reheating of primitive material in the early solar nebula.

Hewins, R. H.↗
NASA NTRS1990

The volume- and surface-binding energies of ice systems containing CO, CO2, and H2O

Laboratory-measured, temperature-dependent sticking efficiencies are presently used to derive the surface-binding energies of CO and CO2 on H2O-rich ices, with a view to determining the condensation and vaporization properties of these systems as well as to the measured energies' implications for both cometary behavior and the evolution of interstellar ices. The molecular volume and the surface binding energies are not found to be necessarily related on the basis of simple nearest-neighbor scaling in surface and bulk sites; this may be due to the physical constraints associated with matrix structure-associated physical constraints, which sometimes dominate the volume-binding energies.

Sandford, Scott A.↗
NASA NTRS1998

Statistical Properties of Line Centroid Velocity Increments in the rho Ophiuchi Cloud

We present a comparison of histograms of CO (2-1) line centroid velocity increments in the rho Ophiuchi molecular cloud with those computed for spectra synthesized from a three-dimensional, compressible, but non-starforming and non-gravitating hydrodynamic simulation. Histograms of centroid velocity increments in the rho Ophiuchi cloud show clearly non-Gaussian wings, similar to those found in histograms of velocity increments and derivatives in experimental studies of laboratory and atmospheric flows, as well as numerical simulations of turbulence. The magnitude of these wings increases monotonically with decreasing separation, down to the angular resolution of the data. This behavior is consistent with that found in the phase of the simulation which has most of the properties of incompressible turbulence. The time evolution of the magnitude of the non-Gaussian wings in the histograms of centroid velocity increments in the simulation is consistent with the evolution of the vorticity in the flow. However, we cannot exclude the possibility that the wings are associated with the shock interaction regions. Moreover, in an active starforming region like the rho Ophiuchi cloud, the effects of shocks may be more important than in the simulation. However, being able to identify shock interaction regions in the interstellar medium is also important, since numerical simulations show that vorticity is generated in shock interactions.

Lis, D. C.↗
NASA NTRS2001

Determination of the Cosmic Radio Background from the Radio-Infrared Relation in Galaxies

We use the radioactive flux correlation for star forming galaxies in the local universe to derive their contribution to the cosmic radio background (CRB). The CRB from these galaxies is therefore determined by the evolution of the comoving infrared luminosity density with redshift, which is constrained by galaxy number counts at various infrared wavelengths and by the cosmic infrared background. The research of ED was supported by NASA NRA 99-OSS-01 Astrophysics Theory Program. MB acknowledges the support of the "Research Opportunities for Undergraduates in the Laboratory for Astronomy and Solar Physics" for the summer student internship program at NASA/GSFC.

Dwek, Eli↗
NASA NTRS2003

[The Evolutionary Origin of Placodes and Neural Crest Cells]

The long-term goal of this NASA-supported research is to understand the evolutionary origin of placodes and neural crest cells, with particular reference to evolution of the inner ear, and their evolutionary and developmental relationships. The cephalochordcate amphioxus, the closest living invertebrate relative of the vertebrates is used as a stand-in for the ancestral vertebrate. The research, which has supported one graduate student, Jr-Kai Yu, has resulted in ten publications by the Holland laboratory in peer-reviewed journals.

Bronner-Fraser, Marianne↗
NASA NTRS2011

Modeling and Simulation for Multi-Missions Space Exploration Vehicle

Asteroids and Near-Earth Objects [NEOs] are of great interest for future space missions. The Multi-Mission Space Exploration Vehicle [MMSEV] is being considered for future Near Earth Object missions and requires detailed planning and study of its Guidance, Navigation, and Control [GNC]. A possible mission of the MMSEV to a NEO would be to navigate the spacecraft to a stationary orbit with respect to the rotating asteroid and proceed to anchor into the surface of the asteroid with robotic arms. The Dynamics and Real-Time Simulation [DARTS] laboratory develops reusable models and simulations for the design and analysis of missions. In this paper, the development of guidance and anchoring models are presented together with their role in achieving mission objectives and relationships to other parts of the simulation. One important aspect of guidance is in developing methods to represent the evolution of kinematic frames related to the tasks to be achieved by the spacecraft and its robot arms. In this paper, we compare various types of mathematical interpolation methods for position and quaternion frames. Subsequent work will be on analyzing the spacecraft guidance system with different movements of the arms. With the analyzed data, the guidance system can be adjusted to minimize the errors in performing precision maneuvers.

Multi-Mission Space Exploration Vehicle [MMSEV]↗
DOE OSTI2017

3D Microstructures for Materials and Damage Models

Many challenges exist with regard to understanding and representing complex physical processes involved with ductile damage and failure in polycrystalline metallic materials. Currently, the ability to accurately predict the macroscale ductile damage and failure response of metallic materials is lacking. Research at Los Alamos National Laboratory (LANL) is aimed at building a coupled experimental and computational methodology that supports the development of predictive damage capabilities by: capturing real distributions of microstructural features from real material and implementing them as digitally generated microstructures in damage model development; and, distilling structure-property information to link microstructural details to damage evolution under a multitude of loading states.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated a new two-phase model into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model. It provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model’s accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase model implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, the model is applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of the mixture drift-flux model for capturing the two-phase flow dynamics critical to MSR operations

42 - ENGINEERING↗
DOE OSTI2026

Evaluating Ru-RuO 2 @BN as a Bifunctional Electrocatalyst for the Nitrogen Reduction Reaction and the Hydrogen Evolution Reaction

Electrochemical approaches toward clean energy production have been the focus of significant attention. Here, the nitrogen (N 2 ) reduction reaction (NRR) and the hydrogen (H 2 ) evolution reaction (HER) offer a promising method for producing NH 3 and H 2 , respectively. Nevertheless, practical obstacles that must be overcome in creating optimal catalysts are the sluggish kinetics and low selectivity of NRR and HER. Herein, we report on the synthesis of a Ru-RuO 2 -decorated boron nitride (BN) catalyst that shows excellent activity toward NRR. A rate of NH3 formation (V NH3 ) of 16.8 μg h -1 mg -1 and a corresponding Faradaic efficiency (FE) of 52.9% were noted at a potential of −0.5 V in 0.1 M HCl. However, the HER activity of Ru-RuO 2 @BN was found to be highly suppressed in 0.1 M HCl and did not yield a reasonable overpotential value. Thus, the capability of this material toward NRR suggests its viability as a promising catalyst for clean NH 3 production.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

From Micro-environments to Macroscopic Effects: How the Alkaline Hydrogen Evolution Reaction Drives Cu Cathodic Corrosion

Cathodic corrosion of copper (Cu) has posed a significant challenge for over a century, impeding various technological progresses such as electrochemical conversion of CO 2 (eCO 2 RR) into fuels and other value-added carbon products. Here, in this study, employing a combined Density Functional Theory (DFT) and kinetic Monte Carlo (kMC) simulation approach, we delve into the atomistic level mechanism driving this phenomenon in Cu. Our hypothesis posits the pivotal role of alkaline hydrogen evolution reaction (HER) in facilitating cathodic corrosion in Cu. We rigorously develop a pH-dependent hydroxide (OH) adsorption mechanism and calculate the equilibrium OH coverage (𝜃 OH ) at varying pH levels, the thermodynamic stability of subsurface oxygen (O sub ), as well as the Cu-vacancy mediated diffusion of subsurface oxygens (O sub ). Through comprehensive analysis, we establish correlation among various microenvironments, including oxygen diffusion in subsurface layers, pH-dependent OH adsorption, and Cu dissolution into the electrolyte as (Cu-OH) complexes. Furthermore, our investigation explores the correlation between surface coordination environment of active sites and cathodic corrosion of Cu. Finally, by integrating DFT-derived thermodynamic data into a kMC model, we successfully predict the formation of experimentally observed corrosion pits on Cu-surfaces. This combined approach not only advances our fundamental understanding of Cu cathodic corrosion but also offers insights crucial for developing effective corrosion mitigation strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Propagating synthetic populations with dynamic Bayesian networks: a framework for long-horizon demographic forecasting

This study presents a dynamic demographic microsimulator using dynamic Bayesian networks to forecast long–term changes in household and individual life events. Leveraging longitudinal Panel Study of Income Dynamics (PSID) data, two networks for individuals and households were modeled to simulate transitions in employment, income, education, marriage, childbirth, leaving the parental home, home ownership, mortality, and household formation or dissolution. Across 1,000 simulation runs spanning 24 years, household–level outcomes remain highly accurate and individual–level predictions reasonable. Although accuracy naturally declines with projection horizon, performance remains promising at both levels. This study addresses a key limitation of existing population synthesis models, which typically generate only a single static snapshot of the population. In conclusion, by introducing a framework that propagates cross-sectional outputs into the future, the microsimulator enables the tracking of demographic evolution over time, enhances realism in population-based simulations, and supplies credible inputs to agent-based travel demand models.

Demographic modeling↗
DOE OSTI2025

Gold L-shell emission spectroscopy as a temperature diagnostic in laser-driven experiments

Measurements of plasma conditions within gold hohlraums are challenging but provide important information about hohlraum energy transport. To date, there are no reliable passive diagnostic approaches that produce information about the hohlraum plasma conditions. Gold L-shell emission spectroscopy is a promising method to measure the electron temperature in multi-keV gold hohlraum plasmas. In this study, we compare time-resolved measurements of gold L-shell spectra against a more conventional electron temperature-sensitive diagnostic, K-shell emission from zinc, a mid-Z dopant. The Au L-shell and Zn K-shell spectra are taken simultaneously. The analysis of both sets of data exhibits good agreement with a singular rad-hydro model, suggesting a similar evolution in the mean electron temperature of the hohlraum plasma. These findings support the use of L-shell spectroscopy of gold as a method to study gold plasma conditions.

Emission spectroscopy↗
DOE OSTI2015

Dust heating by low-mass stars in massive galaxies at z<1

Using the Hubble Space Telescope/Wide Field Camera 3 imaging data and multi-wavelength photometric catalog, we investigated the dust temperature of passively evolving and star-forming galaxies at 0.2 10{sup 10} M{sub ⊙} have relatively high dust temperatures of T{sub dust}>20 K, for which the formation efficiency of molecular hydrogen on the surface of dust grains in the diffuse ISM is expected to be very low from the laboratory experiments. The fraction of passively evolving galaxies strongly depends on the expected dust temperature at all redshifts and increases rapidly increasing temperature around T{sub dust}∼20 K. These results suggest that the dust heating by low-mass stars in massive galaxies plays an important role in the continuation of their passive evolution because the lack of the shielding effect of the molecular hydrogen on the UV radiation can prevent the gas cooling and formation of new stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The hierarchical growth of bright central galaxies and intracluster light as traced by the magnitude gap

Using a sample of 2800 galaxy clusters identified in the Dark Energy Survey across the redshift range 0.20 < z < 0.60, we characterize the hierarchical assembly of bright central galaxies (BCGs) and the surrounding intracluster light (ICL). To quantify hierarchical formation we use the stellar mass–halo mass (SMHM) relation, comparing the halo mass, estimated via the mass–richness relation, to the stellar mass within the BCG + ICL system. Moreover, we incorporate the magnitude gap (M14), the difference in brightness between the BCG (measured within 30 kpc) and fourth brightest cluster member galaxy within 0.5 $R_{200,c}$, as a third parameter in this linear relation. The inclusion of M14, which traces BCG hierarchical growth, increases the slope and decreases the intrinsic scatter, highlighting that it is a latent variable within the BCG + ICL SMHM relation. Moreover, the correlation with M14 decreases at large radii. However, the stellar light within the BCG + ICL transition region (30 –80 kpc) most strongly correlates with halo mass and has a statistically significant correlation with M14. Since the transition region and M14 are independent measurements, the transition region may grow due to the BCG’s hierarchical formation. Additionally, as M14 and ICL result from hierarchical growth, we use a stacked sample and find that clusters with large M14 values are characterized by larger ICL and BCG + ICL fractions, which illustrates that the merger processes that build the BCG stellar mass also grow the ICL. Furthermore, this may suggest that M14 combined with the ICL fraction can identify dynamically relaxed clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Recovering new viruses from New Mexico soils

Here, we utilized metagenomic and size-filtered virome sequencing to recover 4,157 medium, high, or complete quality viral genomes from soils taken from three high elevation sites in New Mexico, USA. Among recovered viral genomes, 90% were from size-filtered samples, indicating the importance of this enrichment in assessments of complex viromes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Cesium Ion Exchange with Crystalline Silicotitanate Literature Review

Crystalline silicotinante (CST) is planned for use as the ion exchange media to accomplish the cesium (Cs) decontamination of low-activity waste (LAW) in the current evolution of the Direct Feed Low-Activity Waste flowsheet. CST has yet to be deployed in a production-scale operating waste treatment facility on the Hanford Site. However, CST was used nearly 20 years ago to successfully treat approximately 270,000 gallons of supernatant waste in modular columns at Oak Ridge National Laboratory. As part of the technical maturation of the media for use at Hanford, an assessment of the state-of-the-art was performed by reviewing work in the technical literature. The review considered work from the U.S. Department of Energy (DOE) complex (i.e., national laboratories and government documents), the CST manufacturer, and the open technical literature nationally and internationally. The review focused on information most relevant to the caustic, high-sodium chemical environment typical of Hanford LAW. The topic areas explored in this literature review document include the following: CST structural and physical properties; Isotherm and batch contact data; Mass transport: intraparticle, interparticle, dispersion in the column; Column performance at multiple scales; Hydraulic performance; The effect of process conditions; Gas generation and retention behavior; Post-processing options for spent CST media The reviewed literature demonstrates that CST is well-suited for Cs decontamination of Hanford LAW. However, after consideration of the available literature data in these subject areas, some uncertainties regarding the application of CST for the treatment of Hanford LAW are identified and summarized. These uncertainties are areas where additional information may permit better prediction of CST performance or provide margin to facility operations and safety basis analyses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗