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DOE OSTI2024

Lawrence Livermore National Laboratory (LLNL) Laboratory Directed Research and Development (LDRD) Annual Report (FY 2023)

As Lawrence Livermore National Laboratory’s most significant resource for supporting internally directed research and development, the LDRD Program provides investments in cutting-edge science and technology that allow the Laboratory to attract and retain the world’s most talented scientists and engineers and enables them to expand the frontiers of knowledge and anticipate emerging national security challenges. In this annual report, we summarize how Lawrence Livermore National Laboratory (LLNL) uses LDRD investments to advance our knowledge in strategic science and technology domains, develop our world-class workforce, and foster innovation in key programmatic areas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

NASA/DOD Aerospace Knowledge Diffusion Research Project. Report 6: The relationship between the use of US government technical reports by US aerospace engineers and scientists and selected institutional and sociometric variables

The relationship between the use of U.S. government technical reports by U.S. aerospace engineers and scientists and selected institutional and sociometric variables was investigated. The methodology used for this study was survey research. Data were collected by means of a self-administered mail questionnaire. The approximately 34,000 members of the American Institute of Aeronautics and Astronauts (AIAA) served as the study population. The response rate for the survey was 70 percent. A dependent relationship was found to exist between the use of U.S. government technical reports and three of the institutional variables (academic preparation, years of professional aerospace work experience, and technical discipline). The use of U.S. government technical reports was found to be independent of all of the sociometric variables. The institutional variables best explain the use of U.S. government technical reports by U.S. aerospace engineers and scientists.

Pinelli, Thomas E.↗

NASA NTRSDate not supplied

Requirement Discovery Using Embedded Knowledge Graph with ChatGPT

- NASA’s Air Traffic Management-Exploration (ATM-X) Urban Air Mobility (UAM) Airspace Subproject is conducting research that evolves UAM airspace towards a highly automated and operationally flexible system of the future. - (see https://www.nasa.gov/uam-overview/ for more information) - The complexity of UAM airspace, and its evolution through a series of transformative epochs, requires a planning tool to effectively organize, integrate, and communicate the research that will guide the evolution of UAM operations in the National Airspace System (NAS). - The planning tool, called the UAM airspace research roadmap (or just roadmap), is being developed as a new system engineering methodology leveraging model based system engineering (MBSE) and artificial intelligence capabilities. This presentation gives an overview of the Knowledge Graph and ChatGPT applications within this system engineering methodology and will describe how it is being used to meet the ATM-X UAM Airspace Subproject’s overarching research goals.

systems engineering↗

DOE OSTI2021

Development of a Framework for Data Integration, Assimilation, and Learning for Geological Carbon Sequestration (DIAL-GCS) (Final Report)

This project aimed to develop and demonstrate a Data Integration, Assimilation, and Learning framework for geologic carbon sequestration projects (DIAL-GCS). DIAL-GCS is an intelligence monitoring system (IMS) for automating GCS closed-loop management by leveraging recent developments in machine learning technologies, complex event processing (CEP), and reduced-order modeling. The safe and efficient operation of GCS repositories requires integrated monitoring to track the injected CO¬2 as it moves within a storage reservoir. GCS projects are data intensive, as a result of proliferation of digital instrumentation and smart-sensing technologies. GCS projects are also resource intensive, often requiring multidisciplinary teams performing different monitoring, verification, accounting (MVA) tasks throughout the lifecycle of a project to ensure secure containment of injected CO2. The success of GCS thus depends in a large part on our ability to access, assimilate, and analyze heterogeneous data and information sources in a timely manner. This project included a number of meaningful and necessary tasks to transform the human domain knowledge into machine-interpretable rules for automating knowledge extraction and discovery in GCS. The specific technical objectives of the proposed DIAL-GCS project were to develop an ontology-driven GCS data management module for storing, querying, and exchanging GCS data (both historic and live sensor data) from multiple sources and in heterogeneous formats. Incorporate a CEP engine for detecting abnormal situations by seamlessly combining expert knowledge, rule-based reasoning, and machine learning. Enable uncertainty quantification and predictive analytics using a combination of coupled-process modeling, AI/ML methods, and reduced-order modeling, and integrate and demonstrate the system’s capabilities with both real and simulated data. As far as we know, this is one of the first projects aimed to develop intelligent monitoring systems (IMS) targeting the GCS. Under this project, the team had developed a large number of web applications and scientific algorithms that contribute the main theme of intelligent monitoring. The team has published more than a dozen peer reviewed papers and disseminated the research results at multiple technical meetings.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

An Architectural Survey of the Area 25 Nuclear Rocket Development Station, Nevada National Security Site, Nye County, Nevada, Volume 2 Of 3

The purpose of the current architectural survey is to record the Nuclear Rocket Development Station (NRDS) district, which is recommended eligible for listing to the NRHP under all four criteria as the testing center for the Rover/NERVA (Nuclear Engine for Rocket Vehicle Application) program from the initial boundary survey in 1956 to the end of nuclear rocket development on January 5, 1973. Resources within the boundary of the NRDS district were evaluated to determine if they are eligible for listing to the National Register as district contributors. Subdistricts within the larger NRDS district were defined to provide a temporal, spatial, and functional framework for organizing the resources involved in the NRDS operations. However, developing contexts for the individual subdistricts was beyond the scope of the NRDS survey. Therefore, the potentially eligible subdistricts were not individually evaluated under any of the Secretary of Interior’s Significance Criteria for eligibility to the National Register.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Composing Data Parallel Code for a SPARQL Graph Engine

Big data analytics process large amount of data to extract knowledge from them. Semantic databases are big data applications that adopt the Resource Description Framework (RDF) to structure metadata through a graph-based representation. The graph based representation provides several benefits, such as the possibility to perform in memory processing with large amounts of parallelism. SPARQL is a language used to perform queries on RDF-structured data through graph matching. In this paper we present a tool that automatically translates SPARQL queries to parallel graph crawling and graph matching operations. The tool also supports complex SPARQL constructs, which requires more than basic graph matching for their implementation. The tool generates parallel code annotated with OpenMP pragmas for x86 Shared-memory Multiprocessors (SMPs). With respect to commercial database systems such as Virtuoso, our approach reduces memory occupation due to join operations and provides higher performance. We show the scaling of the automatically generated graph-matching code on a 48-core SMP.

Big data↗

NASA NTRS2008

Development of a NASA Integrated Technical Workforce Career Development Model Entitled Requisite Occupation Competencies and Knowledge -- the ROCK

This paper shares the findings of NASA's Integrated Learning and Development Program (ILDP) in its effort to reinvigorate the HANDS-ON practice of space systems engineering and project/program management through focused coursework, training opportunities, on-the job learning and special assignments. Prior to March 2005, NASA responsibility for technical workforce development (the program/project manager, systems engineering, discipline engineering, discipline engineering and associated communities) was executed by two parallel organizations. In March 2005 these organizations merged. The resulting program-ILDP-was chartered to implement an integrated competency-based development model capable of enhancing NASA's technical workforce performance as they face the complex challenges of Earth science, space science, aeronautics and human spaceflight missions. Results developed in collaboration with NASA Field Centers are reported on. This work led to definition of the agency's first integrated technical workforce development model known as the Requisite Occupation Competence and Knowledge (the ROCK). Critical processes and products are presented including: 'validation' techniques to guide model development, the Design-A-CUrriculuM (DACUM) process, and creation of the agency's first systems engineering body-of-knowledge. Findings were validated via nine focus groups from industry and government, validated with over 17 space-related organizations, at an estimated cost exceeding $300,000 (US). Masters-level programs and training programs have evolved to address the needs of these practitioner communities based upon these results. The ROCK reintroduced rigor and depth to the practitioner's development in these critical disciplines enabling their ability to take mission concepts from imagination to reality.

Menrad, Robert J.↗

DOE OSTI2014

Simulation and Controls for Heavy Duty Dual Mode Hybrid Powertrain (Final CRADA Report)

Hybrid powertrains are of considerable interest because of potential reductions in fuel consumption, criteria pollutants and green house gas (GHG) emissions. Parallel hybrids have been applied to light and medium duty trucks, where urban driving cycles are prevalent, while series hybrids have been successfully used for other applications like transit and school buses. Unfortunately, hybridization of the Class 8, heavy-duty (HD) powertrain is inherently challenging due the expected long-haul driving requirements and limited opportunities for regenerative braking. The Participant has conceived and demonstrated a transformational Dual Mode Hybrid Powertrain (DMHP) technology developed specifically for the needs and function of Class 8 line haul trucks. The DMHP system enables a new paradigm in powertrain operational efficiency in the Class 8 truck segment. It decouples the connection between the engine operating point and the truck road load demands over a broad operating range through an innovative hybrid design. The DMHP operation choices include running in full series, full parallel and engine-off modes. The DMHP offers the opportunity for an engine to operate in a narrow range, thus providing a strategy for maximized fuel economy and minimized emissions. Further, it is expected that transient torque and power wheel demands are handled in whole or part by the electric system, thus reducing the frequency and intensity of engine transients and further improving the fuel economy and emissions. Fuel consumption and emissions have been further reduced through the elimination of overnight hoteling and idling at stops. Finally, based on the unique operating profile of an engine integrated into our hybrid powertrain, a transformational HD truck engine design concept next can emerge. Recent research activities by Oak Ridge National Laboratory (ORNL) have yielded significant data in real-life speed and load profiles of Class 8, long haul trucks. In addition, preliminary simulations of the DMHP carried out by ORNL reveal significant optimization opportunities of the DMHP by applying systematic simulation and controls approaches. An improved understanding of the complex interactions offered by the on-board engine, energy storing system, and electric machines is necessary for the development of control methodologies and practical implementation. We will continue to further this understanding through detailed experimentation and modeling, drawing on and expanding ORNL’s core competency in basic engine research and development (R&D) and advanced controls. This knowledge will be used to develop, implement, and evaluate control strategies on an actual DMHP using Meritor’s components and subsystems. Our initial focus will be on optimization of DMHP utilizing a “stock” diesel engine that is commercially available in the market place. A new DMHP-specific engine design concept will be pursued at a later phase of this Cooperative Research and Development Agreement (CRADA). Meritor will develop the experimental setup, conduct sub-system experiments at their facility, and implement and evaluate potential control strategies resulting from this CRADA partnership. Oak Ridge National Laboratory (ORNL) will develop a real-time simulation model for use in real-time control of the DMHP. The model and potential algorithms will be evaluated on a HD, hybrid powertrain dynamometer facility that will also be developed at the ORNL Vehicle Systems Integration facility.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Engineering Cyanobacterial Cell Morphology for Enhanced Recovery and Processing of Biomass

Cyanobacteria are emerging as alternative crop species for the production of fuels, chemicals, and biomass. Yet, the success of these microbes depends on the development of cost-effective technologies that permit scaled cultivation and cell harvesting. Here, we investigate the feasibility of engineering cell morphology to improve biomass recovery and decrease energetic costs associated with lysing cyanobacterial cells. Specifically, we modify the levels of Min system proteins in Synechococcus elongatus PCC 7942. The Min system has established functions in controlling cell division by regulating the assembly of FtsZ, a tubulin-like protein required for defining the bacterial division plane. We show that altering the expression of two FtsZ-regulatory proteins, MinC and Cdv3, enables control over cell morphology by disrupting FtsZ localization and cell division without preventing continued cell growth. By varying the expression of these proteins, we can tune the lengths of cyanobacterial cells across a broad dynamic range, anywhere from an ~20% increased length (relative to the wild type) to near-millimeter lengths. Highly elongated cells exhibit increased rates of sedimentation under low centrifugal forces or by gravity-assisted settling. Furthermore, hyperelongated cells are also more susceptible to lysis through the application of mild physical stress. Collectively, these results demonstrate a novel approach toward decreasing harvesting and processing costs associated with mass cyanobacterial cultivation by altering morphology at the cellular level. We show that the cell length of a model cyanobacterial species can be programmed by rationally manipulating the expression of protein factors that suppress cell division. In some instances, we can increase the size of these cells to near-millimeter lengths with this approach. The resulting elongated cells have favorable properties with regard to cell harvesting and lysis. Furthermore, cells treated in this manner continue to grow rapidly at time scales similar to those of uninduced controls. To our knowledge, this is the first reported example of engineering the cell morphology of cyanobacteria or algae to make them more compatible with downstream processing steps that present economic barriers to their use as alternative crop species. Therefore, our results are a promising proof-of-principle for the use of morphology engineering to increase the cost-effectiveness of the mass cultivation of cyanobacteria for various sustainability initiatives.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

A Systems Engineering Approach to Accident Response Planning

This paper explores the Systems Engineering structure, strategies and tools for real world scenarios involving work with accident response groups. A systems engineering approach must be taken by the technical teams to prepare for a successful response and design the technical systems in support of the operations. The scope of this project is focused on laying out the foundation of the systems engineering approach taken to help the teams develop an accident response strategy and identify new engineering designs in support of these operations for the black box systems. This Master’s project involves several interdisciplinary teams & stakeholders across different areas. Identifying the proper tools to use is key to addressing the big picture needs of the multiple stakeholders. This project explores some of the key tools used by the integrated team. The integrated project work will primarily take place over the course of 8 weeks via integrated team meetings. Other work in support of this project will take place off-line as needed by the project lead. Details on the prospective timeline, milestones, key dates and work scope can be referenced in other sections of this paper. Key systems engineering methodologies and tools used thus far in support of this project includes: 1) Market Surveys and Interviews, 2) Project Charter, 3) Feasibility Study, 4) Swim Lane Diagram, and 5) Knowledge Management Plan.

42 ENGINEERING↗

DOE OSTI2014

Interband Cascade Photovoltaic Cells

In this project, we are performing basic and applied research to systematically investigate our newly proposed interband cascade (IC) photovoltaic (PV) cells [1]. These cells follow from the great success of infrared IC lasers [2-3] that pioneered the use of quantum-engineered IC structures. This quantum-engineered approach will enable PV cells to efficiently convert infrared radiation from the sun or other heat source, to electricity. Such cells will have important applications for more efficient use of solar energy, waste-heat recovery, and power beaming in combination with mid-infrared lasers. The objectives of our investigations are to: achieve extensive understanding of the fundamental aspects of the proposed PV structures, develop the necessary knowledge for making such IC PV cells, and demonstrate prototype working PV cells. This research will focus on IC PV structures and their segments for utilizing infrared radiation with wavelengths from 2 to 5 μm, a range well suited for emission by heat sources (1,000-2,000 K) that are widely available from combustion systems. The long-term goal of this project is to push PV technology to longer wavelengths, allowing for relatively low-temperature thermal sources. Our investigations address material quality, electrical and optical properties, and their interplay for the different regions of an IC PV structure. The tasks involve: design, modeling and optimization of IC PV structures, molecular beam epitaxial growth of PV structures and relevant segments, material characterization, prototype device fabrication and testing. At the end of this program, we expect to generate new cutting-edge knowledge in the design and understanding of quantum-engineered semiconductor structures, and demonstrate the concepts for IC PV devices with high conversion efficiencies.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Specialized activities and expression differences for Clostridium thermocellum biofilm and planktonic cells

Clostridium thermocellum forms biofilms adherent to lignocellulosic feedstock in a typical continuous cell-monolayer to efficiently break down and uptake cellulose hydrolysates. The sessile cells of biofilms may revert to non-adherent planktonic cells through generation of offspring cells or microenvironment constraints such as limited surface area. These interdependent cell populations co-exist and have different contributions to culture activity and growth. Here, we developed a novel bioreactor design to rapidly harvest sessile and planktonic cell populations for omics studies. In RNA-seq analyses, within 3299 protein coding genes, 59% (or 1958 genes) were differentially expressed with a minimum two-fold change between the two cell populations isolated simultaneously at high culture activity. Furthermore, sessile cells had definitive greater expression of genes involved in catabolism of carbohydrates by glycolysis and pyruvate fermentation, ATP generation by proton gradient, the anabolism of proteins and lipids and cellular functions critical for cell division; planktonic cells had notably higher gene expression for flagellar motility and chemotaxis, cellulosomal cellulases and anchoring scaffoldins, and a range of stress induced homeostasis mechanisms such as oxidative stress protection by antioxidants and flavoprotein co-factors, methionine repair, Fe-S cluster assembly and repair in redox proteins, cell growth control through tRNA thiolation, recovery of damaged DNA by nucleotide excision repair and removal of terminal proteins by proteases. Our knowledge of these cellular adaptations will aid the engineering of industrially relevant strains for consolidated bioprocessing of solid lignocellulosic biomass

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Slow-Wave Hybrid Magnonics

Cavity magnonics is an emerging research area focusing on the coupling between magnons and photons. Despite its great potential for coherent information processing, it has been long restricted by the narrow interaction bandwidth. Here, in this Letter, we theoretically propose and experimentally demonstrate a novel approach to achieve broadband photon-magnon coupling by adopting slow waves on engineered microwave waveguides. To the best of our knowledge, this is the first time that slow wave is combined with hybrid magnonics. Its unique properties promise great potentials for both fundamental research and practical applications, for instance, by deepening our understanding of the light -matter interaction in the slow wave regime and providing high -efficiency spin wave transducers. The device concept can be extended to other systems such as optomagnonics and magnomechanics, opening up new directions for hybrid magnonics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

MaRIE 1.0 -- The Matter-Radiation Interactions in Extremes Project: Accelerating Qualification, Certification, and Assessment [Slides]

The Matter-Radiation Interactions in Extremes project will build the experimental facility for the time-dependent control of dynamic material performance. It will fill the knowledge gap between atomic-scale and engineering-continuum-scale facilities. An x-ray free electron laser at up to 42-keV fundamental energy and with photon pulses down to sub-nanosecond spacing, MaRIE 1.0 is designed to meet the challenges of time-dependent mesoscale materials science to allow accelerated qualification, certification, and assessment of materials solutions for critical national security missions. Those challenges will be outlined, the campaigns defined, and the resulting requirements presented for a coherent and brilliant x-ray source. The talk concludes with the prospects for the MaRIE project and opportunities for strategic partnering.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Preparation of Aluminum Oxide Films Under Water Exposure – Preliminary Report on 6061 Series Alloys

Aluminum fuel cladding will undergo general corrosion with resulting formation of adherent oxide films during in-reactor and post-discharge exposures under various water conditions and temperatures. The presence of oxides with chemically-bound water can pose challenges for extended dry storage, and an action plan to identify needed technical and engineering activities and analyses to address the identified knowledge gaps and technical data needs was previously prepared. This report is part of the Task 6 activities of that plan. This report describes laboratory experiments performed to produce hydroxide (oxide) films on aluminum 6061 series alloy substrates immersed in water at controlled temperatures. The experimental set-up and characterization results to determine the oxide morphology, thickness, and chemical composition are described.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Preparation of Aluminum Oxide Films Under Water Exposure – Preliminary Report on 6061 Series Alloys

36 MATERIALS SCIENCE↗

DOE OSTI2018

Preparation of Aluminum Oxide Films Under Water Exposure – Preliminary Report on 5052 Series Alloys

Aluminum fuel cladding will undergo general corrosion with resulting formation of adherent oxide films during in-reactor and post-discharge exposures under various water conditions and temperatures. The presence of oxides with chemically-bound water can pose challenges for extended dry storage due to their potential to decompose and release free water and/or generate gases (e.g., oxygen, hydrogen) due to radiolysis, which may cause corrosion, pressurization, or flammability conditions within the storage container. Therefore, an action plan to identify needed technical and engineering activities and analyses to address the identified knowledge gaps and technical data needs was previously prepared. This report is part of the Task 6 activities of that plan.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗