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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 OSTI2023

Managing Software Provenance to Enhance Reproducibility in Computational Research

Scientific processes rely on software as an important tool for data acquisition, analysis, and discovery. Over the years, sustainable software development practices have made progress in being considered as an integral component of research. However, management of computation-based scientific studies is often left to individual researchers who design their computational experiments based on personal preferences and the nature of the study. Here, we believe that the quality, efficiency, and reproducibility of computation-based scientific research can be improved by explicitly creating an execution environment that allows researchers to provide a clear record of traceability. This is particularly relevant to complex computational studies in high-performance computing (HPC) environments. In this article, we review the documentation required to maintain a comprehensive record of HPC computational experiments for reproducibility. We also provide an overview of tools and practices that we have developed to perform such studies around Flash-X, a multiphysics scientific software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Novel complex ceramic oxides, Ln 2 TiO 5 (Ln = La, Sm, Gd, Tb, Dy, Ho, Er, and Yb), for polyphase nuclear waste‐forms

Abstract As part of a broader study of ceramic nuclear waste‐forms, four different lanthanide titanates were fabricated; La 0.1 Sm 0.1 Gd 0.1 Tb 0.1 Dy 0.3 Ho 0.1 Er 0.2 YbTiO 5 , Sm 0.3 Gd 0.3 Dy 0.3 Yb 1.1 TiO 5 , Sm 0.1 Gd 0.4 Dy 0.4 Yb 1.1 TiO 5 , and Sm 0.2 Gd 0.2 Dy 0.2 Yb 1.4 TiO 5 . The aim was to produce single‐phase novel materials with cubic symmetry, capable of incorporating a wide variety of cations and with acceptable radiation tolerance. The chemistry flexibility and radiation tolerance are some of the major desirable properties for nuclear waste‐form materials. By using multiple lanthanides the average lanthanide radius can be controlled and consequently the structure, along with properties such as radiation tolerance. The radiation tolerance was assessed using in situ 1 MeV krypton irradiation and transmission electron microscopy characterization. Those materials for which cubic symmetry was achieved displayed better radiation tolerance; a greater critical fluence of ions ( F c ) was required for the crystalline to amorphous transition, and a lower temperature was required to maintain crystallinity ( T c ) during irradiation.

Aughterson, Robert D.↗
DOE OSTI2024

AtDGCR14L contributes to salt-stress tolerance via regulating pre-mRNA splicing in Arabidopsis

In plants, the pre-mRNA alternative splicing has been demonstrated to be a crucial tier that regulates gene expression in response to salt stress. However, the underlying mechanisms remain elusive. Here, in this study, we studied the roles of DIGEORGE-SYNDROME CRITICAL REGION 14-like (AtDGCR14L) in regulating pre-mRNA splicing and salt stress tolerance. We discovered that Arabidopsis AtDGCR14L is required for maintaining plant salt stress tolerance and the constitutively spliced and active isoforms of important stress- and/or abscisic acid (ABA)-responsive genes. We also identified the interaction between AtDGCR14L and splicing factor U1-70k, which needs a highly conserved three amino acid (TWG) motif in DGCR14. Different from wild-type AtDGCR14L, the overexpression of TWG-substituted AtDGCR14L mutant did not change salt stress tolerance or pre-mRNA splicing of stress/ABA-responsive genes. Additionally, SWITCH3A (SWI3A) is a core subunit of the SWI/SUCROSE NONFERMENTING (SWI/SNF) chromatin-remodeling complexes. We found that SWI3A, whose splicing depends on AtDGCR14L, actively enhances salt stress tolerance. These results revealed that AtDGCR14L may play an essential role in crosstalk between plant salt-stress response and pre-mRNA splicing mechanisms. We also unveiled the potential role of SWI3A in controlling salt stress tolerance. The TWG motif in the intrinsically disordered region of AtDGCR14L is highly conserved and crucial for DGCR14 functions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

RAPIDS: Reconciling Availability, Accuracy, and Performance in Managing Geo-Distributed Scientific Data

In modern science, big data plays an increasingly important role. Many scientific applications, such as running simulations on supercomputers or conducting experiments on advanced instruments, produce huge amount of data at unprecedented speed. Analyzing and understanding such big data is the key for scientists to make scientific breakthroughs. However, data might become unavailable for scientists to access when outages or maintenance of the storage system occur, which severely hinders scientific discovery. To improve the data availability, data duplication and erasure coding (EC) are often used. But as the scientific data gets larger, using these two methods can cause considerable storage and network overhead.In this paper, we propose RAPIDS, a hybrid approach that combines the multigrid-based error-bounded lossy compression with erasure coding, to significantly reduce the storage and network overhead required for maintaining high data availability. Our experiments show that RAPIDS reduces the storage overhead by up to 7.5x and network overhead by up to 3x to achieve the same level of availability compared to the regular EC method. We improve RAPIDS by building two models to optimize the fault tolerance configurations and data gathering strategy. We demonstrate that RAPIDS significantly improves performance when running on many CPU cores in parallel or on GPUs.

Wan, Lipeng↗
DOE OSTI2023

"PoliMOR: A Policy Engine \"Made-to-Order\" for Automated and Scalable Data Management in Lustre"

Modern supercomputing systems are increasingly reliant on hierarchical, multi-tiered file and storage system architectures due to cost-performance-capacity trade-offs. Within such multi-tiered systems, data management services are required to maintain healthy utilization, performance, and capacity levels. We present PoliMOR, a pragmatic and reliable policy-driven data management framework. PoliMOR is composed of modular, single-purpose agents that gather file system metadata and enforce policies on storage systems. PoliMOR facilitates automated and scalable data management with customizable agents tailored to HPC facility-specific storage systems and policies. Our evaluations demonstrate the scalability and performance of PoliMOR both by its individual agents and as a collective entity. We believe PoliMOR is widely applicable across HPC facilities with large-scale data management challenges and will garner interest from the HPC community, given its flexible and open-source nature.

George, Anjus↗
DOE OSTI2019

Secondary Pore Network Design Optimization Analytical Diffusion Model for Lithium Ion Battery

Fast ion transport along the electrode thickness is required for Lithium ion battery (LIB) to sustain continuous high-rate discharge or charge currents, which is a desired feature for the fast charging of electric vehicle batteries. Advance in LIB electrode manufacturing allows to control, to a certain extent, the electrode microstructure architecture in order to improve the macroscopic performances of these devices. For instance, several groups have experimentally tested architectures tailored specifically to increase the through plane ionic diffusion in regards for fast charge application by adding channels or groove-like large pores oriented along the electrode thickness. These voids do not replace the existing pores of the electrode microstructure but consist in a second, coarser, pore network, called the secondary pore network (SPN). The model quantifies the impact of SPN on ionic diffusion with a composite electrode through a simple analytical approach, considering various pore channel geometries and comparing to standard electrodes with identical gravimetric and identical volumetric specific theoretical capacity. The goal is to find optimal SPN design parameters according to three optimization objectives aiming to balance the improved overall through-plane, thanks to the coarse aligned channels, and the degraded in-plane diffusion, due to the porous matrix densification required to maintain gravimetric and volumetric specific theoretical capacity. The analytical model must be considered as a pre-screening tool to quickly investigate large design space, that can be refined later with more complex electrochemical CPU-expensive numerical models.

Usseglio Viretta, Francois↗
DOE OSTI2023

MrHyDE v.1.0

SAND2024-01324O MrHyDE, which stands for Multi-resolution Hybridized Differential Equations, is a general-purpose C++ package for the solution of coupled multiphysics and multiscale systems on massively parallel computing systems. MrHyDE is designed to enable moving beyond forward simulation for multiscale applications which includes optimization, control, uncertainty quantification, and stochastic inversion. The framework provides interfaces to several packages within the Trilinos framework and leverages automatic differentiation to enable adjoint capabilities for large-scale, gradient-based optimization. MrHyDE provides automated multiscale capabilities through a subgrid model interface and multiscale Dirichlet-to-Neumann maps. For extreme-scale applications, MrHyDE provides in situ data-compression algorithms to reduce memory requirements while maintaining performance. MrHyDE is a general-purpose, computational framework for the solution of multiscale and multiphysics applications. It uses a combination of structure-preserving, physics-compatible discretizations, fully implicit methods, multi-resolution schemes, or fully explicit methods. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗
DOE OSTI2023

H2A.X promotes endosperm-specific DNA methylation in Arabidopsis thaliana

Background: H2A.X is an H2A variant histone in eukaryotes, unique for its ability to respond to DNA damage, initiating the DNA repair pathway. H2A.X replacement within the histone octamer is mediated by the FAcilitates Chromatin Transactions (FACT) complex, a key chromatin remodeler. FACT is required for DEMETER (DME)-mediated DNA demethylation at certain loci in Arabidopsis thaliana female gametophytes during reproduction. Here, we sought to investigate whether H2A.X is involved in DME- and FACT-mediated DNA demethylation during reproduction. Results: H2A.X is encoded by two genes in Arabidopsis genome, HTA3 and HTA5. We generated h2a.x double mutants, which displayed a normal growth profile, whereby flowering time, seed development, and root tip organization, S-phase progression and proliferation were all normal. However, h2a.x mutants were more sensitive to genotoxic stress, consistent with previous reports. H2A.X fused to Green Fluorescent Protein (GFP) under the H2A.X promoter was highly expressed especially in newly developing Arabidopsis tissues, including in male and female gametophytes, where DME is also expressed. We examined DNA methylation in h2a.x developing seeds and seedlings using whole genome bisulfite sequencing, and found that CG DNA methylation is decreased genome-wide in h2a.x mutant endosperm. Hypomethylation was most striking in transposon bodies, and occurred on both parental alleles in the developing endosperm, but not the embryo or seedling. h2a.x-mediated hypomethylated sites overlapped DME targets, but also included other loci, predominately located in heterochromatic transposons and intergenic DNA. Conclusions: Our genome-wide methylation analyses suggest that H2A.X could function in preventing access of the DME demethylase to non-canonical sites. Overall, our data suggest that H2A.X is required to maintain DNA methylation homeostasis in the unique chromatin environment of the Arabidopsis endosperm.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Stability analysis of Monte Carlo burnup calculation based on PWR fuel rods

The existing Monte Carlo burnup algorithms may give some unstable results when using multiple burnable cells during burnup calculations. A very small time step is required to maintain the stability of the system, which pose some limits for the realistic applications. In this paper, we firstly repeat the instability issue by using a Monte Carlo code based on a typical PWR fuel rod model. Then, a theoretical stability analysis was carried out by using the perturbation theory in order to get a better understanding about the property of system stability. We determine a perturbation matrix which relates some main influence factors, such as the time step and the height of fuel rod, it can help people estimate the stability of burnup calculation system and the results are quantitatively consistent with the Monte Carlo code. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Dynamic computational optical fringe mitigation in tunable laser absorption spectroscopy

In optical spectroscopic systems where unwanted optical scattering cannot be eliminated, Fabry-Pérot etalons cause unpredictable changes in the spectral background. Frequent system calibration is then required to maintain the desired measurement accuracy, which presents a major limitation to the spectrometer. We introduce a computational approach to mitigate the adverse effects of optical fringing without hardware modifications. Motivated by experimental observations of complicated fringe behaviors, we simplify the problem by decomposing the fringe background into component etalons that can be addressed according to their individual characteristics. The effectiveness of the proposed method is demonstrated on a silicon photonic methane sensor, where accurate measurements of methane concentration are obtained from spectral data strongly affected by optical fringes.

Teng, Chu C. (ORCID:0000000152744835)↗
DOE OSTI2020

Design Considerations and Operational Features of the Collimators for the Fermilab Main Injector and Recycler

The Fermilab Main Injector system delivers 700 kW of 120 GeV Proton beam for neutrino experiments. Since 2013 this has been achieved using slip stacking accumulation in the Recycler with up to 12 batches from the Fermilab Booster per Main Injector Ramp Cycle. To control activation from beam loss, collimation systems in the Booster to Recycler transfer line, in the Recycler and in the Main Injector are employed. Residual radiation measurements around the ring with detailed studies at the collimators are required to maintain adequate loss control. We will review design considerations, operational parameters and activation results for more than ten years of operation. Simulations with MARS15 are used to explore the activation rates and the isotopic composition of the resulting activation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Beam halo formation with different cathode distributions

Beam halo refers to the low-density distribution of particles extending beyond the beam core, and its generation and mitigation are important topics in particle accelerator design. Effective mitigation of beam halo is essential for the cooler design based on Energy Recovery Linac (ERL), which must deliver an electron beam with average beam current of 100 mA and a charge 1 nC per bunch. In the ERL injector and booster linacs, space charge effects are stronger due to relatively low beam energy (6 MeV). Additionally, the longer bunch length of approximately 100 ps in this regime vs the RF period of 5.08 ns makes the formation of beam halos more likely. Therefore, effective collimation of beam halo is critical to maintaining the required beam parameters. To design an effective collimation scheme, several halo distributions were generated at the cathode and used to study halo formation within the injector-merger. This paper presents different halo distributions and halo formation, providing insights on halo collimation strategy.

Accelerator Physics↗
DOE OSTI2026

Understanding the Costs and Barriers of Residential Electrical Panel and Service Upgrades

Upgrading electrical panels and services in U.S. homes represents a significant barrier to building modernization, imposing considerable costs, delays, and procedural uncertainties on homeowners, contractors, utilities, and building departments. Although cost databases document individual infrastructure activities, they rarely capture the integrated, whole-project perspective required to understand how electrical upgrades are planned, executed, and regulated. Existing research is often geographically constrained, narrowly scoped, or derived from limited samples, leaving significant knowledge gaps unaddressed. This study examines the timelines and costs associated with residential electrical panel and service upgrades using data from a national cross- sectional survey conducted in summer 2025. The survey captured responses from 140 stakeholders across 34 states, including building industry professionals, utility staff, and building department staff. Findings indicate that project duration and cost increase substantially with building size though patterns vary by infrastructure type. Most single-family and small multifamily projects were completed within 30 days, whereas medium and large multifamily buildings show longer and less predictable timelines. Service rating increases modestly extend project duration, but building type and size were the primary determinants of delays. Cost patterns were similar: customer-side equipment and panel replacements scale predictably with building size, while utility-side costs are highly variable, often triggered by threshold-driven infrastructure upgrades such as transformer replacements. Permit fees vary considerably between jurisdictions but generally represent a minor proportion of total project costs. These findings identify electrical upgrades as a significant barrier to residential building costs and highlight the need for improved stakeholder coordination, streamlined permitting, and strategies that reduce upgrade requirements while maintaining safety and code compliance.

Casquero-Modrego, Nuria↗
DOE OSTI2020

Regenerative Fuel Cell System (Cooperative Research and Development Final Report, CRADA Number CRD-16-635)

Grid energy storage is required to maintain reliable electricity delivery from energy producers to their customers. As electrical loads on the grid change throughout the day, stored energy supplies electricity during increased power demand periods. Further, as more renewable and alternative energy sources are added, energy storage will maximize the usefulness of these technologies. Currently, the United States has over 24.6 GW of grid storage, about 2% of the total electrical production capacity. About 95% of energy storage comes from pumped hydro. However, pumped hydro energy storage is dependent on existing geographic features, making it difficult to integrate with widespread renewable energy sources. As energy demands continue to expand, and more renewable energy (i.e. wind and solar) is added to the grid, new energy storage technologies will be needed that are not dependent on geographic features. Battery technologies can provide energy storage for some applications, but are not economically well-suited for long duration charge/discharges, such as load-leveling of renewable energy. Consequently, development of new energy storage devices will augment the existing grid and reduce the capital investment in construction upgrades. As ever-increasing mandates for renewable energy are implemented, lower-cost energy storage solutions for renewable energy will be necessary to keep electricity costs low for consumers.

13 HYDRO ENERGY↗
DOE OSTI2020

Optimization of a buncher for High Energy H- Beam Transport [Slides]

Accelerators and beam transport systems typically contain numerous beamline devices, diagnostics, system study, and upgrade. Routinely TRACE, MADX and TRANSPORT codes are used for the beam envelope prediction and optimization. Unknown problems of accelerators and beam-transport are addressed based on R&D, such as LFB voltage variation effect study. A nominal diagnostic have used in non-traditional beam transport path to address scientific question (such as use of a BPM in the air). High energy beam operation is a methodical process and routine R&D is required to maintain high standards to deliver beam.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

WSF PISA example for SAFER pilot

On October 15, 2021, the Radioactive and Hazardous Waste Management Facility Manager declared a Potential Inadequacy in the Safety Analysis (PISA) due to a new information relating to an error discovered in calculation AB-WSF-20-002. Calculation AB-WSF-20-002 is used to determine source terms and heat release rates for vehicle and aircraft impacts with fuel fires involving TRU waste containers. The source term for an aircraft’s impact has different source terms factors (i.e., DR, ARF, RF, LPF) that are applied to multiple categories of drums impacted in the accident scenario based on the physical stresses of the aircraft impact and involvement in the subsequent fuel pool fire. The source terms of the multiple categories of affected drums are summed to determine the final source term for the accident scenario. Certain categories of affected drums are modeled to lose their lid, causing material to eject and burn unconfined on the ground. For these specific categories, a lower ARF value was incorrectly applied in AB-WSF-20-002 (i.e., an ARF value of 1E-3 was used instead of the DOE-STD-5506-2007 directed ARF value of 1E-2). For these categories, the ARF is applied to a relatively small number of low-activity drums (i.e., 17 drums at 2.9 PE-Ci each) compared to the total number of drums affected (i.e., 166 drums totaling 621.8 PE-Ci). Therefore, this error is not expected to significantly increase final dose for the accident scenario. No immediate actions or compensatory measures are required to maintain the facility in a safe condition.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Smart Ventilation Controls for Occupancy and Auxiliary Fan Use Across U.S. Climates

Smart Ventilation has been developed as a way to reduce the energy associated with ventilation by changing when ventilation happens and how much ventilation occurs at any given time. In high performance buildings with low envelope and appliance related loads, ventilation is becoming a bigger part of the total building energy use and needs to be addressed if performance targets are to be met. This work explores the development and performance of smart ventilation controls based on occupancy and auxiliary fan operation that provide annual dwelling unit ventilation equivalence to ASHRAE Standard 62.2-2016. A prototype high performance home compliant with U.S. DOE Building America Zero Energy Ready program requirements was simulated using the REGCAP tool with and without smart controls across 15 U.S. DOE climate zones. Balanced and unbalanced IAQ fans were independently simulated, and all smart controlled fans had airflows double the reference 62.2-2016 airflow. Three idealized occupancy patterns were examined: 1st shift (a typical daily work/school absence), an extended 1st shift with more time spent out of the home evenings and weekends and 3rd shift (night work). The Occupancy controller turns the IAQ fan off during unoccupied periods, and it resumes ventilation upon their return. While unoccupied, contaminants are allowed to accumulate in the space, because occupants are not exposed to these contaminants. When occupants return home, they are exposed to these higher contaminant concentrations, and the controller increases the ventilation rate sufficiently to ensure equivalence with a continuous IAQ fan. Accounting for pollutant emissions that occur during unoccupied periods (as required by ASHRAE 62.2-2016), sharply distinguishes our occupancy controls from past Demand Controlled Ventilation systems. This new accounting method results in equivalent contaminant exposure, as well as lower reductions in average ventilation rates and lower energy savings. Smart controls were demonstrated that saved HVAC energy (i.e., avoided heating/cooling load, as well as fan energy)—averaging between 6 and 46% of ventilation-related energy use depending on the control strategy and occupancy pattern assumptions. The greatest savings were in the combined Auxiliary Fan + Occupancy control. Energy savings increased with climate heating demand and longer unoccupied time periods. The 3rd shift occupancy pattern had better performance, due to the thermal benefit of reducing the ventilation rate during the cold nighttime hours. This same effect provided a cooling energy benefit in hotter locations for the 1st shift. Overall, savings from occupancy-based smart controls were low, because of the recovery period required after occupants return home, during which the airflow is double the 62.2 reference. This recovery is required to maintain equivalence with the ASHRAE standard. Occupancy-based control performance was improved when combined with sensing auxiliary fans and when providing a pre-occupancy flush out of one- or two-hours. Performance was similarly improved if the ASHRAE Standard were to recognize that pollutant emissions are lower during unoccupied periods, iii allowing a lower target ventilation rate during unoccupied periods (not currently in the standard) (see Full vs. Half AEQ in this report). Finally, over-sized unbalanced fans that are cycled on-and-off by a smart controller (or timer) were found to substantially increase annual average air exchange and energy use relative to a continuous unbalanced fan due to the effects of superposition with natural infiltration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Los Alamos National Laboratory Floodplain Assessment for the Technical Area 72 Outdoor Live Fire Range Safety Upgrades Project

The National Nuclear Security Administration (NNSA), a semi-autonomous agency within the U.S. Department of Energy (DOE), is proposing new construction and upgrade activities in lower Sandia Canyon at Technical Area (TA) 72 at the Outdoor Live Fire Range facility at Los Alamos National Laboratory (LANL). The proposed upgrades are intended to improve range safety to help fulfill the mission requirements of maintaining a trained and qualified armed Protective Force.

54 ENVIRONMENTAL SCIENCES↗