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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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DOE OSTI2018

Effect of Adsorption Compression on Catalytic Chemical Reactions. Final Report

This project determined the effect of adsorption compression on the rates of catalytic chemical reactions. It was shown that in regions of strong adsorption compression there is a dramatic increase in the rate of catalytic chemical reaction. Experiments focused on the conversion of NO to molecular nitrogen and oxygen. Data analysis techniques were developed to allow interpretation of experimental data and prediction of conditions for optimal reaction rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Plan to Verify and Validate Multi-Hazard Risk-Informed Margin Management Methods and Tools

This report describes the development plan for verification and validation (V&V) of multihazard risk informed margin management (RIMM) methods and tools. The plan will include using new INL developed tool sets coupled with the new multi-partner External Hazards Experimental Group (EHEG) coordinated by the Idaho National Laboratory (INL) within the Risk-Informed Safety Margin Characterization (RISMC) technical pathway of the Light Water Reactor Sustainability Program. The RISMC pathway is developing a suite of new tools and methods for advanced evaluation of facility risk. The RISMC toolkit, includes tools and methods focused on evaluation of risk from external hazards (e.g, seismic and flooding events), which have been shown to be dominant risk contributors in probabilistic risk assessments performed for operating nuclear power plants (NPPs). The external events activity (EEA) within the RISMC pathway is tasked with developing tools and methods focused on evaluation of multi-hazard external risk (e.g, seismic and flooding events). The EHEG will provide technical expertise and experimental large-scale testing data needed for development and validation of tools and methods in the RISMC toolkit for external hazard safety evaluations. The EEA within RISMC has two key elements: (1) an organizational and research framework provided by INL and (2) a coordinated group of university and national laboratory partners with the complementary expertise and experimental capabilities needed to conduct large-scale external hazard-focused experiments. This cooperative group will allow INL to leverage a range of existing capabilities to meet the unique needs of RISMC tool and method development. In addition, the capabilities of the EHEG could be used to address needs of other national laboratories. Currently, there is limited data available for development and validation of the tools and methods being developed in the RISMC Toolkit. The EHEG is being developed to obtain high quality, large-scale experimental data validation of RISMC tools and methods in a timely and cost-effective way. The group of universities and national laboratories that will eventually form the EHEG (which is ultimately expected to include both the initial participants and other universities and national laboratories that have been identified) have the expertise and experimental capabilities needed to both obtain and compile existing data archives and perform additional seismic and flooding experiments. The data developed by EHEG will be stored in databases within RISMC. These databases will be used to validate the advanced external hazard tools and methods. The numerical tools under development in RISMC are used to evaluate the impacts that external hazards have on nuclear power plants. These analysis tools will be used to advanced current risk calculation processes and reduce uncertainty in these calculations. To have confidence in the predictive capability of these numerical tools it is important to verify and validate them. To verify and validate numerical tools the user must understand what physics is being used to represent the problem (i.e. constitutive models used to represent the soil and structure), the numerical solver approach used (i.e. finite element), what data already exists that could be used to validate the tools, and what data is needed for validation.

31274↗

DOE OSTI2018

Integrated Program of Excellence in Nuclear Medicine and Radiochemistry. September 1, 2012 - August 31, 2017

The overall goal of the “Integrated Program of Excellence in Nuclear Medicine and Radiochemistry Research” at the University of Pittsburgh was to provide an intensive training experience in radiochemistry and nuclear medicine applications for up to 7 postdoctoral researchers (Ph.D.; two years each) and up to 6 medical fellows (M.D. or M.D./Ph.D.; one year each). The primary training occurred in the Department of Radiology under the leadership of radiochemists, radiopharmaceutical scientists and clinicians. The radiochemistry experience focused on the development of novel radiochemistry towards the development of radiotracers for PET imaging of disease. In addition to mentoring PhD and MD level trainees, we developed a course through the Nuclear Engineering Program at the University of Pittsburgh that was either audited or taken as pass/fail by the trainees.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2021

Cooperative Education

M-3 Focused Experiments is a group at Los Alamos National Lab (LANL) and is under the Dynamic Experiments Division. Their work surrounds the diagnostics and study of explosives and their interaction with materials. The data collected is used to better understand the erratic nature of explosions and high velocity projectiles. Through better comprehension of this science, the overall national security will be improved while innovations are made along the way. Despite the strong drive for research and development, the lab holds safety above all else and constantly updates procedures to protect LANL employees and their environment. At any time, there are multiple projects going on at once within the team and I am tasked with assisting the Firing Site Leaders and various research diagnosticians in any way possible with the setup, testing, and execution of data collection for each experiment. Such data includes velocity, fragmentation characteristics, and the spread of energy across the material to name a few. During my summer employment with the lab, my main goal is to maintain a questioning attitude and learn as much possible about the research and development side of science and engineering. Throughout the duration of the Co-op, many experiments will take place at specially designed firing sites which is where I will be spending most of my time.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2021

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Spectro-Microscopy Studies of Atmospheric Particles

Our project investigated composition and physical properties of individual atmospheric particles collected in field campaigns organized by the DOE Atmospheric Systems Research and Atmospheric Radiation Measurement (ASR/ARM) programs, such as the Green Ocean Amazon (GoAmazon, 2014/5), the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE, 2016/7), the Aerosol and Cloud Experiment in the Eastern North Atlantic (ACE-ENA, 2017/8), the Aerosol–Ice Formation Closure Pilot Study (AEROICESTUDY, 2019) and in additional small-scale supporting field experiments focused on the investigation of the light-absorbing (aka brown carbon) atmospheric particles. In these studies, we investigated the contribution of natural and anthropogenic sources to populations of atmospheric particles during representative atmospheric conditions; characterized particle composition and evaluated their hygroscopic properties and propensity to act as cloud condensation nuclei (CCN) and ice nuclei (IN); correlated typical particle-type and mixing state characteristics with real-time measurements in the areas of studies. We used multi-modal spectro-microscopy techniques to examine elemental and molecular composition, mixing state, size, and higher order morphology for individual particles. Specifically, we used computer-controlled scanning electron microscopy and X-ray microanalysis for quantitative analysis of particle elemental composition, and we used transmission electron microscopy to provide additional information on the distribution of different components within individual particles (particle heterogeneity). We used synchrotron-based scanning transmission X-ray microscopy for quantitative description of the mixing state and molecular bonding of carbon in particles. The particle composition, mixing state, and morphology from analyzed periods was then combined with the real-time ARM measurements of aerosol size distribution, CCN concentration, hygroscopicity, and aerosol bulk composition. Combined together, results of our studies allowed us to assess the major particle sources (biogenic vs. anthropogenic, primary vs secondary) and gain insight into the atmospheric processing of aerosol particles resulting from condensation, coagulation, oxidative aging, and cloud processing. In collaboration with other scientists involved in field campaigns, we carried out statistical analysis of particle properties and their source-specific contributions to regional aerosol loading under representative air mass, meteorological, and cloud conditions.

scanning transmission X-ray microscopy↗

DOE OSTI2019

EGS Collab SIGMA-V Project: Stimulation Investigations for Geothermal Modeling Analysis and Validation Phase 1 Report. For the period February 2017 – March 2019

The EGS Collab project was initiated in March 2017 to enable the subsurface modelling and research community to establish validations against controlled, small-scale, in-situ experiments focused on rock fracture behavior and permeability enhancement. The EGS Collab project is to provide the opportunity for reservoir model prediction and validation, in coordination with in depth analysis of geophysical and other fracture characterization data with an ultimate goal of further elucidating the basic relationship between stress, seismicity and permeability enhancement. In addition, the project is to identify and quantify other key governing parameters that impact permeability as well as understanding how these parameters change throughout the three EGS development phases (identify/characterize site, create reservoir, operate power plant). The project is to use comprehensive instrumentation and data collection effort to inform baseline, predictive, and post stimulation reservoir modeling is essential. This report describes the activities performed in Phase 1 of the project. The work done to date is extensive, and a large number of participants have contributed significant effort to enable project success. From planning to execution, we have stayed on track to address the objectives established by the Department of Energy in the paragraph above.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

EGS Collab SIGMA-V Project: Stimulation Investigations for Geothermal Modeling Analysis and Validation: For the period February 2017 – March 2019 (Phase 1 Report)

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

LANSCE Science Overview [Slides]

LANSCE is primarily focused on three science questions for NNSA and contributes to several other programs. We will primarily consider the NNSA questions: (1) How can we advance our understanding of dynamic material behavior using focused experiments? (2) What tools are needed to address Advanced Manufacturing and Aging? (3) How do we constrain the nuclear reaction networks involved in weapons?

36 MATERIALS SCIENCE↗

DOE OSTI2021

Analysis of Lobe Power Calculator and Indication System with Physics and Cycle Based Models

The Advanced Test Reactor (ATR) at INL measures reactor power through various methods, two of them being thermal and Nitrogen-16 (N-16) activity. Water power calculator (WPC) is a thermal power system that measures flow and temperature to determine thermal quadrant powers. The N-16 system utilizes a beta detector that outputs Nitrogen activation levels to calculate lobe power through an algorithm called Lobe Power Calculation and Indication system (LPCIS). The LPCIS utilizes the N-16 system and the WPC system to determine reactor core power levels. The WPC provides accurate calculations of quadrant and total reactor thermal power. With the use of WPC measurements, thermal-to-N-16 (T2N) power ratios are produced to determine if the two indication systems agree on core power. Relative magnitude equations are used to utilize N-16 coefficients and multipliers to improve the indications of the LPCIS. These correct indications are crucial for maintaining safety limits because operators rely on this information for decision making. Currently, the LPCIS system uses linear equations and matrices to calculate lobe power through multipliers and coefficients. Advancements in technology and system upgrades have increased the accuracy of power readings by making the system more dynamic. The new proposed coefficient and multiplier method implements a cycle specific and physics-based model intended for changing coefficients during operation. This calibration experiment focused on power splitting, outer shim and neck shim, as well as fuel burning into the reactor digital acquisition system (RDAS) weighting factors. Results demonstrated that the physics learning method yields a smaller error margin inside of the desired power range for the data set 166-A. Continuing to improve the physics-based model will help improve the power accuracy of the LPCIS system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

The Radical Atom: Mechanosynthetic 3D Printing of an Atomically Precise SPM Tip

This research effort sought to overcome current limitations in scanning probe-based atomic manipulation to enable atomically precise manufacturing (APM). Previous theoretical and experimental works on atom by atom and molecule by molecule fabrication of precise structures are limited to essentially to two-dimensions. APM will enable a paradigm shift in 21st century manufacturing practices in which every single atom in a electronic chip, device or machine can be placed in an exact and predefined position in three-dimensions. By providing a general method for generating reproducible SPM tip structure, this project will drive forward the entire field of atomically precise scanning probe microscopy, opening the door to positional control of nearly arbitrary covalent chemistry. Such control could, for example, be used in applications such as novel 2.5 or 3D microchip fabrication. The creation of a unique manufacturing method through APM has the potential to impact technologies at the theoretical limits of performance, weight, and utility including: solid-state quantum and spintronic computing systems, high efficiency optical antenna, solar power systems, defect engineered materials and extremely efficient catalysts. Although this experiment focused on pick-and-place non-scalable APM, the better understanding of the chemistry is crucial to the eventual goal of scalable APM. To place individual atoms into a specified location is a seminal aspiration of researchers and engineers in the many fields and may have early premium applications in medical devices and microelectronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Vibrational Signatures of Electronic Properties in Renewable-Energy Catalysis

The objective of this research program is to discover and develop new approaches for ab initio computational simulations of molecular motion. Specifically, this program aims to decipher the connection between the underlying electronic structure and the accordant molecular vibrations in reactive ions and radicals for renewable-energy purposes. Recent experimental progress in ion sources and optical spectroscopies has unearthed considerable new inner-sphere detail for these complexes, but the connection between these spectral signatures and mechanistic information often remains elusive, to the continued frustration of experimentalists. For this purpose, new anharmonic vibrational frequency methods, along with a publicly deployed software package, will be developed. Working closely with committed experimental collaborators, this conceptual and computational framework will be used to explain the results of new spectroscopy experiments, focusing specifically on the inner-shell mechanisms of renewable-energy catalysis. The oxidation half of catalytic water-splitting chemistry will be a central focus, along with fundamental studies of the manner in which strong ions and radicals activate solvent as a chemical species. The resulting products of the research program will include openly available software and algorithms for the ab initio simulation of challenging vibrational spectra, as well as critical mechanistic insight into energy-focused catalytic processes that are opaque to other existing analytical techniques.

42 ENGINEERING↗

DOE OSTI2025

GEANT3 simulations for a beryllium Moderator for the Neutron Target Demonstrator (NTD)

Measurements of neutron-induced reactions, particularly on short-lived nuclei, are crucial for nuclear astrophysics and applications. The Neutron Target Demonstrator (NTD) aims to address this by using a strong mod erated spallation neutron source coupled with an ion storage ring. This work investigates the potential of improving the neutron moderator, a key component of the NTD. Using GEANT3 simulations, we compare the performance of the existing 80 cm carbon moderator with a new moder ator design, which utilizes beryllium pieces available at LANL to form a core surrounded by carbon. Simulations were performed 800 MeV pro tons incident on a tungsten target. The results demonstrate that the beryllium-core moderator increases the density of moderated neutrons within the central beam pipe by roughly a factor 4 compared to the pure carbon moderator. This enhancement makes the beryllium-core design a very promising option for future experiments focused on neutron-induced measurements in inverse kinematics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

ION IRRADIATION OF ETHANE AND WATER MIXTURE ICE AT 15 K: IMPLICATIONS FOR THE SOLAR SYSTEM AND THE ISM

Solid water has been observed on the surface of many different astronomical objects and is the dominant ice present in the universe, from the solar system (detected on the surface of some asteroids, planets and their satellites, trans-Neptunian objects [TNOs], comets, etc.) to dense cold interstellar clouds (where interstellar dust grains are covered with water-rich ices). Ethane has been detected across the solar system, from the atmosphere of the giant planets and the surface of Saturn’s satellite Titan to various comets and TNOs. To date, there were no experiments focused on icy mixtures of C{sub 2}H{sub 6} and H{sub 2}O exposed to ion irradiation simulating cosmic rays, a case study for many astronomical environments in which C{sub 2}H{sub 6} has been detected. In this work, the radiolysis of a C{sub 2}H{sub 6}:H{sub 2}O (2:3) ice mixture bombarded by a 40 MeV{sup 58}Ni{sup 11+} ion beam is studied. The chemical evolution of the molecular species existing in the sample is monitored by a Fourier transform infrared spectrometer. The analysis of ethane, water, and molecular products in solid phase was performed. Induced chemical reactions in C{sub 2}H{sub 6}:H{sub 2}O ice produce 13 daughter molecular species. Their formation and dissociation cross sections are determined. Furthermore, atomic carbon, oxygen, and hydrogen budgets are determined and used to verify the stoichiometry of the most abundantly formed molecular species. The results are discussed in the view of solar system and interstellar medium chemistry. The study presented here should be regarded as a first step in laboratory works dedicated to simulate the effect of cosmic radiation on multicomponent mixtures involving C{sub 2}H{sub 6} and H{sub 2}O.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Evaluation of integrated assessment model hindcast experiments: a case study of the GCAM 3.0 land use module

Abstract. Hindcasting experiments (conducting a model forecast for a time period in which observational data are available) are being undertaken increasingly often by the integrated assessment model (IAM) community, across many scales of models. When they are undertaken, the results are often evaluated using global aggregates or otherwise highly aggregated skill scores that mask deficiencies. We select a set of deviation-based measures that can be applied on different spatial scales (regional versus global) to make evaluating the large number of variable–region combinations in IAMs more tractable. We also identify performance benchmarks for these measures, based on the statistics of the observational dataset, that allow a model to be evaluated in absolute terms rather than relative to the performance of other models at similar tasks. An ideal evaluation method for hindcast experiments in IAMs would feature both absolute measures for evaluation of a single experiment for a single model and relative measures to compare the results of multiple experiments for a single model or the same experiment repeated across multiple models, such as in community intercomparison studies. The performance benchmarks highlight the use of this scheme for model evaluation in absolute terms, providing information about the reasons a model may perform poorly on a given measure and therefore identifying opportunities for improvement. To demonstrate the use of and types of results possible with the evaluation method, the measures are applied to the results of a past hindcast experiment focusing on land allocation in the Global Change Assessment Model (GCAM) version 3.0. The question of how to more holistically evaluate models as complex as IAMs is an area for future research. We find quantitative evidence that global aggregates alone are not sufficient for evaluating IAMs that require global supply to equal global demand at each time period, such as GCAM. The results of this work indicate it is unlikely that a single evaluation measure for all variables in an IAM exists, and therefore sector-by-sector evaluation may be necessary.

58 GEOSCIENCES↗

NASA NTRS1972

Shockwave determination of the shear velocity at very high pressures

A shock wave experiment is described for confirming changes in density, from seismic interpretation, for determining the properties of planet interiors. The experiment focuses on the problem of measurements in a pressure region, where the shear velocity tends to vanish, or become very small. Pressure-sensitive lattice stability, and the equations for an atomic model of the NaCl lattice are discussed along with the particle velocity shock technique.

Anderson, O. L.↗

NASA NTRS1976

The Large Area Crop Inventory Experiment (LACIE)

A Large Area Crop Inventory Experiment (LACIE) was undertaken to prove out an economically important application of remote sensing from space. The experiment focused upon determination of wheat acreages in the U.S. Great Plains and upon the development and testing of yield models. The results and conclusions are presented.

Macdonald, R. B.↗