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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sawtooth suppression by flux pumping on HBT-EP

Abstract This study examines the mechanisms underlying sawtooth suppression in the High Beta Tokamak-Extended Pulse (HBT-EP) device. It is observed that strong-intensity sawtooth activities correlate with reduced-amplitude magnetohydrodynamics (MHD) edge modes which are identified as m / n = 3 / 1 external kink modes, while sawtooth suppression correlates with larger and saturated edge mode amplitudes. To further investigate these correlations, the plasma–wall coupling was manipulated by adjusting the positions of the conducting walls in HBT-EP. It was found that strong sawtooth events occur when the normalized wall radius b / a is within a critical value. This implies that the plasma–wall distance must be sufficiently small to ensure effective stabilization of the edge mode. Even slight differences in major radius result in significantly different discharge styles, categorized as ‘sawtoothing discharges’ and ‘sawtooth-suppressed discharges’ respectively. Through a series of mode structure analyses, we confirm the coexistence and coupling of the m / n = 1 / 1 helical core, m / n = 2 / 1 tearing mode, and m / n = 3 / 1 external kink mode during sawtooth-suppression, and that this coupling induces anomalous current broadening. Based on these findings, we conclude that sawtooth suppression in the HBT-EP tokamak is consistent with the process of magnetic flux pumping.

Physics↗
DOE OSTI2024

hkl-projects/ioc-hkl

HKL-IOC is an open source EPICS IOC that performs real‑time crystallographic HKL calculations for diffractometers and scattering instruments. It integrates the Python hkl library with EPICS through PyDevice, exposing HKL calculations and diffractometer geometry transformations as standard EPICS process variables. This allows beamline and laboratory control systems to convert between motor positions and reciprocal‑space coordinates, configure diffractometer geometries, and drive scans directly in HKL space. The software is written in Python and designed to run alongside existing EPICS deployments without requiring changes to core EPICS components. It is intended for use at synchrotron and neutron scattering facilities, as well as laboratory X‑ray diffractometers, where reliable and reproducible HKL calculations are needed for experiment control, data collection, and automation. HKL-IOC is distributed under the GNU General Public License v3.0 (GPL‑3.0) and contributions and extensions for additional geometries and beamlines are welcomed.

Baekey, Alex↗
DOE OSTI2024

Modeling Radionuclide Inventories in MSR Off-Gas Systems with Radiochemical Transport Analysis

Molten salt reactors (MSR) contain unique characteristics that may require enhancements to modeling tools to accurately predict phenomena. One characteristic that may be advantageous to leverage during normal operation is on-line processing of the circulating fuel salt, such as an off-gas system (OGS) to remove volatile fission products. Therefore, new modeling tools must be developed to integrate spatial resolution and chemistry effects into fuel depletion tools to be able to account for these non-core sources of radioactivity. Such types of radiochemical transport analysis tools were used to estimate the removal rates for 12 elements within a flow model of the Molten Salt Reactor Experiment (MSRE) by optimizing against legacy experimental data of the gas-borne (GB) percentages of 12 nuclides. The removal rates were used in a depletion model to calculate the FP inventory that enters the MSRE OGS. Calculations are in good agreement with the empirical GB percentages reported for the 12 nuclides, which validates the approach and verifies each tool’s treatment of the radiochemical flow effects. The OGS inventory is discussed in terms of the largest nuclide contributors to activity, dose consequence, decay heat, and elemental composition. Finally, insights from the study allow recommendations to be made for future code development activities.

Shahbazi, Shayan↗
DOE OSTI2024

Research Reactors Division Infrastructure Investment Plan for the High Flux Isotope Reactor

The High Flux Isotope Reactor (HFIR) is a unique national asset. Operational for nearly 60 years, continued investment into the aging infrastructure is necessary to ensure operation for another 6 decades. Additionally, growing missions require HFIR as well as important upgrades. Consequently, carefully integrated planning is required to ensure that infrastructure investments are timely executed to ensure long-term, reliable operation of HFIR. Concerns about challenges to the operational reliability of HFIR resulted in a recommendation from the 2023 Operations Review by the US Department of Energy (DOE) Office of Basic Energy Sciences that a HFIR management strategy be developed to address the infrastructure needs. This report defines the investment needs, which are evolving as new upgrade efforts are better defined. HFIR is part of the three-source strategy within the Neutron Sciences Directorate (NScD) and contributes to the five strategic science areas outlined in the NScD 10 Year Strategic Science Plan: quantum materials, soft matter, materials and engineering, chemistry, and biosciences. Fundamental to this strategy are three core values: operational excellence, responsible stewardship, and servant leadership. These values guide our mission of safe and reliable operation of the reactor and require a strong and just nuclear safety culture, a solemn respect for responsible care of the facility, good workforce development, robust procedures and processes, an effective communication strategy, world-class asset management, a determined customer focus, and a commitment to protecting the environment, the safety and health of the public and our people, and the quality of work performed within our facility. These principles are all essential to operate HFIR at a world-class level. The Research Reactors Division (RRD) will lead a new era of neutron science and isotope production at HFIR through responsible and purposeful leadership and unwavering support of the science community. The approach outlined in this plan highlights the direction leadership is taking to ensure that HFIR is ready to support the science challenges and national needs of the future and that the United States maintains world leadership in neutron sciences. The plan is in alignment with the DOE’s desire to continue operating HFIR and with the NScD strategic science goals for the future. HFIR is an aging facility with numerous infrastructure challenges and needs. It has an aging workforce in relation to the general population of Oak Ridge National Laboratory (ORNL), with many expected retirements over the next 5–10 years. With an increase in work scope caused by changing national priorities and science goals, several critical hires have been identified. To manage HFIR’s infrastructure needs, a prioritized list of equipment upgrades has been identified along with an analysis of future staffing requirements. A desire to operate HFIR at eight cycles per year will necessarily require some significant changes to procedures and processes currently in place as well as targeted staffing additions. Many of the equipment upgrades identified in this plan will significantly increase the reliability of the plant, thus contributing to the effort to reach the goal of safely operating eight cycles per year. A plan to attain eight-cycle operation is being prepared in parallel with the activities identified in this plan, although the actions identified to satisfy both plans will overlap. This plan identifies new infrastructure needs—for both plant equipment and staffing—thus necessitating formulation of future budget requests to fund the increased work scope and improvement activities. Some activities are currently being scheduled with the expectation that funding will be received. Any delays to funding or reductions of funding from the identified cost estimations will directly and negatively affect the plan’s implementation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Controlling Oxidation of Nb in Oxygen Abundant Environments.

Superconducting Radio Frequency (SRF) cavities, the core of modern particle accelerators, rely on high-purity niobium (Nb) to achieve high quality factors and accelerating gradients. However, native oxidation in ambient conditions introduces a complex oxide layer with increased surface defects and contamination, particularly from carbon. This research explores a controlled oxidation processes in an oxygen-abundant environment to try to control this complex oxide stack, with the goal of improving surface purity and uniformity. Using standard surface preparation techniques—including electropolishing, vacuum baking, and sonication—followed by a custom oxidation protocol, we compared structural and chemical changes through Confocal Microscopy, Scanning Electron Microscopy (SEM), and X-Ray Photoelectron Spectroscopy (XPS). Results show that iterative oxidation cycles can significantly reduce carbon-related defects, even without baking. Aditionally, baked samples with a specific oxidation technique demonstrated a measurable 25\% decrease in carbide formation.

Romero, Juan [Fermilab]↗
DOE OSTI2020

Trends in Carbon, Oxygen, and Nitrogen Core in the X-ray Absorption Spectroscopy of Carbon Nanomaterials: A Guide for the Perplexed

Successful deployment of carbon nanomaterials in many applications, such as sensing, energy storage, and catalysis, relies on the selection, synthesis, and tailoring of the surface properties. Predictive analysis of the behavior is difficult without detailed knowledge of the differences between various carbon nanomaterials and their surface functionalization, thus leaving the selection process to traditional trial-and-error work. The present characterization fills this knowledge gap for carbon nanomaterial surface properties with respect to chemical states and functionalization. We present an overview of the chemical trends that can be extracted from soft X-ray absorption spectroscopy (XAS) spectra on an extended set of nonideal carbon nanomaterials as a function of sp 2 bonded carbon and bond ordering. In particular, the surface chemical state, the presence of long-range order in the carbon matrix, and a qualitative estimation of the amount of oxygen and nitrogen and their respective functional group formation on the material surface, together with the detailed material fabrication parameters, are reported. The results expand our understanding of carbon nanomaterial functionalization, which can support material selection in practice, provided that the specifications of the application are known.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Metatranscriptomics analysis reveals a novel transcriptional and translational landscape during Middle East respiratory syndrome coronavirus infection

Among all RNA viruses, coronavirus RNA transcription is the most complex and involves a process termed “discontinuous transcription” that results in the production of a set of 3'-nested, co-terminal genomic and subgenomic RNAs during infection. While the expression of the classic canonical set of subgenomic RNAs depends on the recognition of a 6- to 7-nt transcription regulatory core sequence (TRS), here, we use deep sequence and metagenomics analysis strategies and show that the coronavirus transcriptome is even more vast and more complex than previously appreciated and involves the production of leader-containing transcripts that have canonical and noncanonical leader-body junctions. Moreover, by ribosome protection and proteomics analyses, we show that both positive- and negative-sense transcripts are translationally active. The data support the hypothesis that the coronavirus proteome is much vaster than previously noted in the literature.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Deciphering decomposition pathways of high explosives with cryogenic X-ray Raman spectroscopy

We employed cryogenic X-ray Raman spectroscopy to investigate the early-stage decomposition of the high explosive molecule hexanitrohexaazaisowurtzitane (CL-20). By systematically varying the radiation dose under cryogenic conditions, we induced the decomposition of the molecule using ionizing radiation and observed the evolution of spectral features at the carbon, nitrogen, and oxygen K edges. Through extensive first-principles calculations, we identified key intermediates in the early stages of the decomposition process, resulting from C–C and C–N bond cleavage which leads to the opening of the internal cage structure. A detailed analysis of spectral trends and fingerprints provided evidence supporting N–NO 2 homolytic cleavage as the primary initial decomposition pathway. The combination of advanced core-level spectroscopy methods and state-of-the-art theoretical calculations enabled a comprehensive characterization of the molecular changes induced by controlled radiation dose exposures. In conclusion, our findings establish a benchmark for understanding the decomposition chemistry of high-explosive materials, offering important insights into their stability and reactivity under extreme conditions.

X-ray Raman spectroscopy↗
DOE OSTI2022

Laser 3D printing of highly compacted protonic ceramic electrolyzer stack

Solid oxide electrolysis cells (SOECs) for H 2 production is a core technology for H2@scale. However, its conventional manufacturing methods adapted from the manufacture of solid oxide fuel cells (SOFC) need high cost, especially for small-volume production. The emerging laser 3D printing (L3DP) technology with computer-aided 3D printing and computer-controlled laser processing can fulfill layer-by-layer digital shaping and rapid in-situ consolidating feedstock into complicated geometries. L3DP, a promising additive manufacturing (AM) technology, has achieved significant success in manufacturing plastic and metal parts, which is currently attracting considerable attention for the cost-effective, rapid, and flexible manufacturing of heterogeneous multilayered ceramic devices (e.g., SOECs, SOFCs, and solid-state batteries). It is believed that the L3DP can integrate the advantages of selective consolidation of heterogeneous layers, accurate control of layer microstructures, high processing heat efficiency, high processing speed, high stack compactness, high stack design flexibility, and low stack sealing area for cost-effective, rapid, and flexible manufacturing of SOECs to meet DOE’s electrolyzer target.

08 HYDROGEN↗
DOE OSTI2020

In-situ synthesis of oxides by reactive process atmospheres during L-PBF of stainless steel

Traditionally, reactive gases such as oxygen (O 2 ) and carbon dioxide (CO 2 ) have been avoided during laser powder bed fusion (L-PBF) of metals and alloys based on the notion that it may lead to defect formation and poor properties. Here, in this work, we show that instead, these gases can be used to form sub-μm-sized oxide particles in-situ during the L-PBF process in an Fe-Cr-Al-Ti stainless steel and lead to improved room temperature and high-temperature mechanical properties. We manufactured cube samples using pure Ar and various reactive gas atmospheres, namely an O 2 /Argon (Ar) mixture containing 0.2 % O 2 and CO 2 /Ar mixtures containing up to 100 % CO 2 . Co-axial measurements of infrared radiation emitted from the melt pool showed correlation to the presence of O 2 or CO 2 in the gas mixture. Builds produced under CO 2 -containing atmosphere contained complex oxides with an average diameter of ~40 nm, an Al-rich core and a Ti-rich shell. Due to the high cooling rates typical to L-PBF, agglomeration of oxides and slag formation on the surface of the samples could almost be entirely avoided. Compression tests at temperatures up to 800 °C showed that the samples produced in 100 % CO 2 have about 20 % higher yield stress compared to samples produced in Ar. The paper concludes with a discussion of the formation mechanism of the observed oxides. Our results show that in-situ reactions during additive manufacturing processes are a promising pathway to the synthesis of particle-reinforced alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of ZPPR-15 experimental data for VTR software validation

As part of the Versatile Test Reactor (VTR) program, extensive validation work is being performed to demonstrate the fidelity of the Argonne Reactor Code (ARC) software package presently used for the core design studies. It is anticipated that this software will be also used for initial operations although additional software may be introduced at a later time to supplement or replace some components. The validation work was focused on accumulating reactor models that are consistent with the VTR and thus can be used to validate the accuracy of predictions made by the software used to design and operate the VTR. The U.S. does not have any active experimental facilities that can neutronically mockup the VTR core design. However, in the past, the U.S. had extensive experimental facilities for fast reactor neutronics. In that regard, the ZPPR-15 experiments carried out at ANL during the 1980s work best because the fuel form is closest to the VTR design, there is a considerable amount of processed data available for use, and existing staff are already familiar with the experimental machine and measurements. Because of previous collaborative work, many of the ZPPR-15 loadings of interest have already been processed into MCNP and preliminary ARC models, and a full uncertainty quantification has already been completed for many of the ZPPR-15 measurements. This manuscript covers the recent analysis work on the ZPPR-15 experiments and compares it with the experimental results. With respect to the ARC software components, this manuscript focuses on validation of the MC 2 , DIF3D and GAMSOR using the ZPPR-15 experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Electronic Structure Theory Calculations Using Modern Architectures: KNL vs Haswell

The time to solution and parallel efficiency of several commonly used electronic structure methods (Hartree–Fock, density functional theory, second order perturbation theory, resolution of the identity second order perturbation theory, coupled cluster) are evaluated on both the Intel Xeon Haswell and the Intel Xeon Phi Knights Landing (KNL) architectures. The Haswell completes the benchmark calculations with a faster time to solution than the KNL for all molecules and methods tested. While the Haswell exhibits an average speedup of at least 3.5 relative to the KNL for all nonthreaded computations, the KNL has a better parallel efficiency than the Haswell with increasing core counts. The architectures are further tested using a more computationally costly coupled cluster method on a transition state reaction. The Haswell appears to be the best choice to minimize the time to solution, though for very large systems and high levels of theory that require memory intensive processes the superior memory hierarchy and larger on node memory of the KNL can make it a better choice. These results are used to showcase aspects of novel architectures that will increase efficiency for quantum chemistry applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

TASOR is a pseudo-PARP that directs HUSH complex assembly and epigenetic transposon control

The HUSH complex represses retroviruses, transposons and genes to maintain the integrity of vertebrate genomes. HUSH regulates deposition of the epigenetic mark H3K9me3, but how its three core subunits — TASOR, MPP8 and Periphilin — contribute to assembly and targeting of the complex remains unknown. Here, we define the biochemical basis of HUSH assembly and find that its modular architecture resembles the yeast RNA-induced transcriptional silencing complex. TASOR, the central HUSH subunit, associates with RNA processing components. TASOR is required for H3K9me3 deposition over LINE-1 repeats and repetitive exons in transcribed genes. In the context of previous studies, this suggests that an RNA intermediate is important for HUSH activity. We dissect the TASOR and MPP8 domains necessary for transgene repression. Structure-function analyses reveal TASOR bears a catalytically-inactive PARP domain necessary for targeted H3K9me3 deposition. We conclude that TASOR is a multifunctional pseudo-PARP that directs HUSH assembly and epigenetic regulation of repetitive genomic targets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Sulfate reduction accelerates groundwater arsenic contamination even in aquifers with abundant iron oxides

Groundwater contamination by geogenic arsenic is a global problem affecting nearly 200 million people. In South and Southeast Asia, a cost-effective mitigation strategy is to use oxidized low-arsenic aquifers rather than reduced high-arsenic aquifers. Aquifers with abundant oxidized iron minerals are presumably safeguarded against immediate arsenic contamination, due to strong sorption of arsenic onto iron minerals. However, preferential pumping of low-arsenic aquifers can destabilize the boundaries between these aquifers, pulling high-arsenic water into low-arsenic aquifers. We investigate this scenario in a hybrid field-column experiment in Bangladesh where naturally high-arsenic groundwater is pumped through sediment cores from a low-arsenic aquifer, and detailed aqueous and solid-phase measurements are used to constrain reactive transport modelling. Here we show that elevated groundwater arsenic concentrations are induced by sulfate reduction and the predicted formation of highly mobile, poorly sorbing thioarsenic species. Furthermore, this process suggests that contamination of currently pristine aquifers with arsenic can occur up to over 1.5 times faster than previously thought, leading to a deterioration of urgently needed water resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Modeling of small tungsten dust grains in EAST tokamak with NDS-BOUT ++

In order to investigate the transport of small dusts as well as their evolution property along their trajectories, the NDS module is developed under the BOUT++ framework, a highly desirable C++ code package to perform parallel plasma fluid simulations with an arbitrary number of equations in three-dimensional curvilinear coordinates. Due to the severe dust ablation in fusion plasmas, the dust size would decrease from micrometer to nanometer, resulting in impurities. Small dusts in the simulations here are specified as tungsten spheres with the radii on or below the order of submicrometer. The Rayleigh limit is included in the charging process when the dust is ablated to the droplet phase. The simulation results from the NDS module show that a 200 nm radius spherical tungsten dust originated from upper divertor region of EAST Tokamak is ablated completely due to the intense heating from the incoming plasma inside the core region, well consistent with the CCD footage of EAST shot # 81459. Furthermore it is found that the magnetic field dominates the dust transport when the dust radius is below 100 nm during the ablation along the trajectory. Our simulations predict that a 10 nm radius spherical tungsten dust injected from the inner midplane is well constrained by the magnetic field, and it reaches the inner divertor target with a velocity on the order of km/s.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Cardinal: A Lower-Length-Scale Multiphysics Simulator for Pebble-Bed Reactors

This paper demonstrates a multiphysics solver for pebble-bed reactors, in particular, for Berkeley’s pebble-bed -fluoride-salt-cooled high-temperature reactor (PB-FHR) (Mark I design). The FHR is a class of advanced nuclear reactors that combines the robust coated particle fuel form from high-temperature gas-cooled reactors, the direct reactor auxiliary cooling system passive decay removal of liquid-metal fast reactors, and the transparent, high-volumetric heat capacitance liquid-fluoride salt working fluids (e.g., FLiBe) from molten salt reactors. This fuel and coolant combination enables FHRs to operate in a high-temperature, low-pressure design space that has beneficial safety and economic implications. The PB-FHR relies on a pebble-bed approach, and pebble-bed reactors are, in a sense, the poster child for multiscale analysis. Relying heavily on the MultiApp capability of the Multiphysics Object-Oriented Simulation Environment (MOOSE), we have developed Cardinal, a new platform for lower-length-scale simulation of pebble-bed cores. The lower-length-scale simulator comprises three physics: neutronics (OpenMC), thermal fluids (Nek5000/NekRS), and fuel performance (BISON). Cardinal tightly couples all three physics and leverages advances in MOOSE, such as the MultiApp system and the concept of MOOSE-wrapped applications. Moreover, Cardinal can utilize graphics processing units for accelerating solutions. In this paper, we discuss the development of Cardinal and the verification and validation and demonstration simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

iDDS: intelligent distributed dispatch and scheduling for workflow orchestration

The intelligent distributed dispatch and scheduling (iDDS) service is a versatile workflow orchestration system designed for large-scale, distributed scientific computing. iDDS extends traditional workload and data management by integrating data-aware execution, conditional logic, and programmable workflows, enabling automation of complex and dynamic processing pipelines. Originally developed for the ATLAS experiment at the large hadron collider, iDDS has evolved into an experiment-agnostic platform that supports both template-driven workflows and a Function-as-a-Task model for Python-based orchestration. This paper presents the architecture and core components of iDDS, highlighting its scalability, modular message-driven design, and integration with systems such as PanDA and Rucio. We demonstrate its versatility through real-world use cases: fine-grained tape resource optimization for ATLAS, orchestration of large Directed Acyclic Graph (DAG) workflows for the Rubin Observatory, distributed hyperparameter optimization for machine learning applications, active learning for physics analyses, and AI-assisted detector design at the electron–ion collider. By unifying workload scheduling, data movement, and adaptive decision-making, iDDS reduces operational overhead and enables reproducible, high-throughput workflows across heterogeneous infrastructures. We conclude with current challenges and future directions, including interactive, cloud-native, and serverless workflow support.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Data from : "Warming promotes loss of subsoil carbon through accelerated degradation of plant-derived organic matter". Blodgett warming experiment

This dataset contains data used for the paper: Warming promotes loss of subsoil carbon through accelerated degradation of plant-derived organic matter. Soil Biology and Biochemistry 156, 108185. doi:10.1016/j.soilbio.2021.108185On April 2018 (after 4.5 years of warming), we collected O-horizon (organic horizon) material and soil core down to 90 cm depth from a whole-soil warming experiment in a mixed-coniferous temperate forest, located at the University of California Blodgett experimental forest in the foothills of the Sierra Nevada, CA USA. The goal was to assess how 4.5 years of +4 °C whole-soil warming affected the quantity and quality of soil organic matter. Cores were collected from 6 experimental plots (three replicated blocks); samples were collected in 10 cm increments from 0 to 90 cm depth.This dataset contains a compressed (.zip) archive of the data used for this manuscript. The dataset includes files in .xlsx format, which can be accessed and processed using MS Excel or R. Carbon and nitrogen concentrations, as well as stable carbon isotope composition ((δ13C) and solvent extractable lipid biomarker (alkanoic acids and alkanes) data are provided as processed data files. Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy data are provided as raw output and processed data files.The dataset files "Blodgett_warming_Data" and "Blodgett_warming_raw_data.xlsx" were updated on July 7, 2021. The following updates were made: (1) specification of the units of measurements in the dataset (the unit of measurement was missing in some parameters) and (2) the column name "pulled depth" was changed to "pooled depth" in the updated data files.

54 ENVIRONMENTAL SCIENCES↗