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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Toward an event-level analysis of hadron structure using differential programming

Reconstructing the internal properties of hadrons in terms of fundamental quark and gluon de- grees of freedom is a central goal in nuclear and particle physics. This effort lies at the core of major experimental programs, such as the Jefferson Lab 12 GeV program and the upcoming Electron-Ion Collider. A primary challenge is the inherent inverse problem: converting large-scale observational data from collision events into the fundamental QCD-defined densities that characterize the micro- scopic structure of hadronic systems. Recent advances in AI and machine learning have opened new avenues for addressing this challenge using deep learning techniques. A particularly promising direction is the integration of complex theoretical calculations and experimental simulations into a unified framework capable of reconstructing these densities directly from event-level information. In this document, we introduce a key algorithm called LOITS, which enables differentiable program- ming within such a framework, facilitating the use of AI/ML techniques to solve the inverse problem of QCF reconstruction at the event level.

Braga, Kevin [College of William and Mary, William↗
DOE OSTI2024

Tutorial on In Situ and Operando (Scanning) Transmission Electron Microscopy for Analysis of Nanoscale Structure–Property Relationships

In situ and operando (scanning) transmission electron microscopy [(S)TEM] is a powerful characterization technique that uses imaging, diffraction, and spectroscopy to gain nano-to-atomic scale insights into the structure–property relationships in materials. This technique is both customizable and complex because many factors impact the ability to collect structural, compositional, and bonding information from a sample during environmental exposure or under application of an external stimulus. In the past two decades, in situ and operando (S)TEM methods have diversified and grown to encompass additional capabilities, higher degrees of precision, dynamic tracking abilities, enhanced reproducibility, and improved analytical tools. Much of this growth has been shared through the community and within commercialized products that enable rapid adoption and training in this approach. This tutorial aims to serve as a guide for students, collaborators, and nonspecialists to learn the important factors that impact the success of in situ and operando (S)TEM experiments and assess the value of the results obtained. As this is not a step-by-step guide, readers are encouraged to seek out the many comprehensive resources available for gaining a deeper understanding of in situ and operando (S)TEM methods, property measurements, data acquisition, reproducibility, and data analytics.

(S)TEM↗
DOE OSTI2021

An Integrative Model for Soil Biogeochemistry and Methane Processes: I. Model Structure and Sensitivity Analysis

Abstract Environmental changes are anticipated to generate substantial impacts on carbon cycling in peatlands, affecting terrestrial‐climate feedbacks. Understanding how peatland methane (CH 4 ) fluxes respond to these changing environments is critical for predicting the magnitude of feedbacks from peatlands to global climate change. To improve predictions of CH 4 fluxes in response to changes such as elevated atmospheric CO 2 concentrations and warming, it is essential for Earth system models to include increased realism to simulate CH 4 processes in a more mechanistic way. To address this need, we incorporated a new microbial‐functional group‐based CH 4 module into the Energy Exascale Earth System land model (ELM) and tested it with multiple observational data sets at an ombrotrophic peatland bog in northern Minnesota. The model is able to simulate observed land surface CH 4 fluxes and fundamental mechanisms contributing to these throughout the soil profile. The model reproduced the observed vertical distributions of dissolved organic carbon and acetate concentrations. The seasonality of acetoclastic and hydrogenotrophic methanogenesis—two key processes for CH 4 production—and CH 4 concentration along the soil profile were accurately simulated. Meanwhile, the model estimated that plant‐mediated transport, diffusion, and ebullition contributed to ∼23.5%, 15.0%, and 61.5% of CH 4 transport, respectively. A parameter sensitivity analysis showed that CH 4 substrate and CH 4 production were the most critical mechanisms regulating temporal patterns of surface CH 4 fluxes both under ambient conditions and warming treatments. This knowledge will be used to improve Earth system model predictions of these high‐carbon ecosystems from plot to regional scales.

58 GEOSCIENCES↗
DOE OSTI2020

Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana glycosyltransferases

Glycosylation of secondary metabolites involves plant UDP-dependent glycosyltransferases (UGTs). UGTs have shown promise as catalysts in the synthesis of glycosides for medical treatment. However, limited understanding at the molecular level due to insufficient biochemical and structural information has hindered potential applications of most of these UGTs. In the absence of experimental crystal structures, we employed advanced molecular modeling and simulations in conjunction with biochemical characterization to design a workflow to study five Group H Arabidopsis thaliana (76E1, 76E2, 76E4, 76E5, 76D1) UGTs. Based on our rational structural manipulation and analysis, we identified key amino acids (P129 in 76D1; D374 in 76E2; K275 in 76E4), which when mutated improved donor substrate recognition than wildtype UGTs. Molecular dynamics simulations and deep learning analysis identified structural differences, which drive substrate preferences. The design of these UGTs with broader substrate specificity may play important role in biotechnological and industrial applications. These findings can also serve as basis to study other plant UGTs and thereby advancing UGT enzyme engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

TPOT Support Structure Finite Element Analysis

This paper is a discussion of the results of finite element analysis (FEA) of the TPOT detector support frame. The analysis of the complete support frame is discussed in section 5. Earlier sections are used to verify assumptions in the model. The maximum deflection of the full support frame is 20.04mm if pinned boundary conditions are assumed at each end of the 80/20 beams. The maximum deflection of the support frame is 7.09mm assuming fixed connections at the ends of the 80/20 beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Capabilities Development at the University of Texas at El Paso for Hydrogen Generation Research and Education

Gasification-based systems have recently received much attention due to their capability of converting wastes into useful fuels. The gasification of biomass, municipal solid waste (MSW), plastics, and other sustainable resources has shown promise in hydrogen production. When coupled to a CCU or CCS unit, these systems have the potential to achieve carbon neutrality or carbon-negative emissions. In addition, these systems have an edge over conventional incineration or landfill systems by reducing greenhouse gas emissions and recovering useful energy. However, the gasification of MSW and other wastes is still in its early stages. In particular, co-gasification of wastes with biomass has significant unknowns in optimizing the reaction kinetics, operability, design and performance improvements. Currently, Supercritical Water Gasifiers (SCWG) and Plasma Gasifiers are the major systems that are capable of producing high hydrogen amounts from Biomass and MSW, respectively. However, both systems have high capital and operating costs, adversely affecting efficiency and the hydrogen production cost. Additionally, due to lower temperatures, SCWGs are prone to tar formation and fouling in the heat exchangers. Hence, there is a need to look for alternative solutions for MSW and biomass gasifications, particularly in co-gasification. The current effort aims to develop a strategic plan to establish a sustainable gasification facility for hydrogen research at the University of Texas at El (UTEP). A major part of this effort involves an extensive literature survey to identify technological gaps and potential areas of interest. Several concepts were developed in accordance with the current demands from the literature survey. Based on the concepts, a center-wide capability assessment was conducted to measure the current capacity and feasibility of establishing hydrogen research. Afterward, a strategic research plan was developed, and a list of required resources was made for the expansion of hydrogen research at UTEP. In addition, successful partnerships with the local county and the city were developed to pursue hydrogen research. The strategic goal setting and planning of UTEP Aerospace Center resulted in securing $2.5 million in external support to expand the hydrogen research during the project performance period. In addition, during the project period, a course in Hydrogen Energy Systems was developed to expand the energy curriculum at the UTEP Aerospace and Mechanical Engineering Department. The course focused on hydrogen production, storage, supply and delivery and application. The cross-listed course was offered at both undergraduate and graduate levels during the Spring 2024 semester and had 27 enrolled students. Moreover, the students supported under this award were trained in gasification process modeling, CAD, CFD and FEA during the project period. The training enabled the students to move into new projects to support gasification design, integrated gasification combined cycle process plant analysis, gasifier structural and operational analysis, and digitally threading the systems.

08 HYDROGEN↗