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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 109 records · Page 6

FEOTS v0.0.0: a new offline code for the fast equilibration of tracers in the ocean

Abstract. In this paper we introduce a new software framework for the offline calculation of tracer transport in the ocean. The Fast Equilibration of Ocean Tracers Software (FEOTS) is an end-to-end set of tools to efficiently calculate tracer distributions on a global or regional sub-domain using transport operators diagnosed from a comprehensive ocean model. To the best of our knowledge, this is the first application of a transport matrix model to an eddying ocean state. While a Newton–Krylov-based equilibration capability is still under development and not presented here, we demonstrate in this paper the transient modeling capabilities of FEOTS in an application focused on the Argentine Basin, where intense eddy activity and the Zapiola Anticyclone lead to strong mixing of water masses. The demonstration illustrates progress in developing offline passive tracer simulation capabilities, while highlighting the challenges of the impulse response functions approach in capturing tracer transports by a non-linear advection scheme. Our future work will focus on improving the computational efficiency of the code to reduce time-to-solution, using different basis functions to better represent non-linear advection operators, applying FEOTS to a parent model with unstructured grids (Ocean Model for Prediction Across Scales, MPAS-Ocean), and fully implementing a Newton–Krylov steady-state solver.

54 ENVIRONMENTAL SCIENCES↗

An Organic, Direct Bonded Copper, Multi-Layered, Ultra-Low Inductance Package for High-Power UWBG MOSFETs

The most common metalized substrates used in high-power switching packages consist of a ceramic layer such as Aluminum Nitride (AlN) sandwiched between two copper layers. Ceramic substrates are used because it has the key characteristic of having high dielectric strength while being thermally conductive. A large drawback to ceramic substrates is that they do not allow for a multi-layered circuit design. By replacing the traditional ceramic substrate with organic direct bonded copper (ODBC) we can open a wide range of possibilities when it comes to power module layout such as multi-layered circuits and double-sided cooling. Both benefits are critical while packaging high-performance Gallium Oxide (Ga2O3) MOSFETs. Because of Ga2O3's relatively poor thermal conductivity, a double-sided cooled package becomes necessary. Therefore, the use of ODBC provides the flexibility to fabricate copper traces carrying much higher currents, and by creating a multi-layered package, we can drastically reduce the parasitic inductance inside the power module. Achieving lower parasitic inductance is critical for an ultra-fast Ga2O3 package to avoid excessive voltage overshoot and ringing. Using ODBC, we have designed novel packages capable of handling the challenges presented by fast Ga2O3 switching. Using multi-physics modeling software, we can validate our design before building the prototype. Due to the simple process parameters needed to work with ODBC, we can rapidly create prototypes without using external vendors. This flexibility allows us to quickly design, build, and validate highly complex switching power modules to accommodate next generation, Ga2O3 switching devices.

ADVANCED PROPULSION SYSTEMS,ENGINEERING↗

A laser powder bed fusion system for operando synchrotron x-ray imaging and correlative diagnostic experiments at the Stanford Synchrotron Radiation Lightsource

Laser powder bed fusion (LPBF) is a highly dynamic multi-physics process used for the additive manufacturing (AM) of metal components. Improving process understanding and validating predictive computational models require high-fidelity diagnostics capable of capturing data in challenging environments. Synchrotron x-ray techniques play a vital role in the validation process as they are the only in situ diagnostic capable of imaging sub-surface melt pool dynamics and microstructure evolution during LPBF-AM. In this article, a laboratory scale system designed to mimic LPBF process conditions while operating at a synchrotron facility is described. The system is implemented with process accurate atmospheric conditions, including an air knife for active vapor plume removal. Significantly, the chamber also incorporates a diagnostic sensor suite that monitors emitted optical, acoustic, and electronic signals during laser processing with coincident x-ray imaging. The addition of the sensor suite enables validation of these industrially compatible single point sensors by detecting pore formation and spatter events and directly correlating the events with changes in the detected signal. Experiments in the Ti–6Al–4V alloy performed at the Stanford Synchrotron Radiation Lightsource using the system are detailed with sufficient sampling rates to probe melt pool dynamics. X-ray imaging captures melt pool dynamics at frame rates of 20 kHz with a 2 µm pixel resolution, and the coincident diagnostic sensor data are recorded at 470 kHz. Furthermore, this work shows that the current system enables the in situ detection of defects during the LPBF process and permits direct correlation of diagnostic signatures at the exact time of defect formation.

36 MATERIALS SCIENCE↗

Metabolic flux modeling of Gluconobacter oxydans enables improved production of bioleaching organic acids

Bioleaching with organic acids is an option for recovery of rare earth elements (REE) and or other valuable metals from consumer or industrial wastes. Biohydrometallurgy can play an economically and environmentally sustainable role in REE recycling, particularly if agriculture or food wastes are used as the carbon substrates for production of the bioleaching agents. A challenge for organic acid based REE bioleaching is the incomplete conversion of the carbon substrate to an optimal organic acid mixture with high REE extraction capability. To help meet this challenge a metabolic flux model was developed for Gluconobacter oxydans to identify options for improving sugar conversion to chelating organic acids. Here, model predictions were consistent with laboratory data for the microbial consumption of glucose and production of gluconic acid and suggested that providing growth conditions with relatively high carbon to nitrogen molar ratios could result in production of lower pH biolixiviant and thus improve REE bioleaching yields.

59 BASIC BIOLOGICAL SCIENCES↗

A comprehensive review of diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) techniques in protonic ceramic cells (PCCs): Current status and future perspective

Protonic ceramic cells (PCCs) have emerged as a promising technology for power generation, energy storage, and value-added chemical synthesis, offering benefits such as fuel flexibility, low emissions, and efficient operation at intermediate temperatures (300–600 ​°C). Recently, significant breakthroughs in materials and manufacturing methods have markedly enhanced the performance of PCCs. However, establishing a fundamental understanding of their electrocatalytic reactions has gained less attention. As a fast and cost-effective method for physicochemical fingerprinting, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) has proven to be a surface-sensitive analytical tool for structural and functional studies. This review critically examines the most up-to-date applications of DRIFTS for characterizing key components of PCCs, including oxygen electrodes, protonic electrolytes, and hydrogen electrodes for different applications, with a focus on revealing hydration properties and catalytic reactions, and guiding rational material design. The challenges for advancing DRIFTS, including quantitative capabilities and operando applications for PCC investigations, are highlighted and strategies to tackle these challenges are discussed. Ultimately, this review underscores the critical role of DRIFTS in accelerating the development of high-performance and durable PCCs for next-generation energy solutions, offering methodologies and insights broadly applicable to a wide range of electrochemical energy conversion and storage technologies.

Diffuse Reflectance Infrared Fourier Transform Spe↗

Production of Medium-Scale Metal Additive Geometry With Hybrid Manufacturing Technology

Oak Ridge National Lab’s (ORNL) Metal Big Area Additive Manufacturing (mBAAM) and Hybrid Manufacturing teams in the Manufacturing Demonstration Facility (MDF) was tasked with developing a part that exceeded 24 inches in length and 100lbs in weight on a laser hotwire welding system. The Mazak VC-500A/5X AM HWD hybrid 5-axis CNC laser hotwire system was leveraged to complete the task. The proposed geometry was manufactured with 410 stainless steel on AISI1018 steel substrate in just over 36 hours of build time. The proposed geometry was sliced and additively manufactured in three segments; the base, and two extrusions measuring 10 inches in length and 14 inches in length. Production of this component demonstrated hybrid capabilities requiring fixed 5-axis rotations to complete geometry that exceeded the defined build volume of the machine. Multiple repairs of the part were conducted in-situ leveraging the additive and subtractive capabilities of the Mazak hybrid system. Significant overbuilding challenges were encountered and manually addressed by leveraging subtractive capabilities of the hybrid system. Future processes are presented for development to reduce overheating of top layers. Final part measurements exceeded 107 lbs. in weight and 24.5 inches in length along the principal axis; the largest and heaviest part created by a hybrid system at the MDF.

Saleeby, Kyle↗

Multilaminate Energy Storage Films from Entropy‐Driven Self‐Assembled Supramolecular Nanocomposites

Abstract Composite materials comprising polymers and inorganic nanoparticles (NPs) are promising for energy storage applications, though challenges in controlling NP dispersion often result in performance bottlenecks. Realizing nanocomposites with controlled NP locations and distributions within polymer microdomains is highly desirable for improving energy storage capabilities but is a persistent challenge, impeding the in‐depth understanding of the structure–performance relationship. In this study, a facile entropy‐driven self‐assembly approach is employed to fabricate block copolymer‐based supramolecular nanocomposite films with highly ordered lamellar structures, which are then used in electrostatic film capacitors. The oriented interfacial barriers and well‐distributed inorganic NPs within the self‐assembled multilaminate nanocomposites effectively suppress leakage current and mitigate the risk of breakdown, showing superior dielectric strength compared to their disordered counterparts. Consequently, the lamellar nanocomposite films with optimized composition exhibit high energy efficiency (>90% at 650 MV m −1 ), along with remarkable energy density and power density. Moreover, finite element simulations and statistical modeling have provided theoretical insights into the impact of the lamellar structure on electrical conduction, electric field distribution, and electrical tree propagation. This work marks a significant advancement in the design of organic–inorganic hybrids for energy storage, establishing a well‐defined correlation between microstructure and performance.

Li, He↗

LDRD 2024 Annual Report: Laboratory Directed Research and Development Program Activities

One fundamental question underlying all living organisms is the need to understand their hierarchical organizations and physical changes with the necessary spatial and temporal resolutions under physiological or pathological conditions. This is a multi-scale challenge requiring imaging from sub-nanometers to micrometers in a cellular context. While individual imaging techniques are available, there is a critical need to integrate them into a workflow capability. Our objective is to develop an integrated multi-disciplinary and multi-scale bioimaging capability at Brookhaven National Laboratory (BNL). The capability expands BNL’s existing facility operation program in bioimaging and positions BNL in a leadership position in bioimaging research. The capability also addresses the grand challenges of the Department of Energy (DOE) science programs for national bioenergy sustainability and security.

99 GENERAL AND MISCELLANEOUS↗

Energy storage solutions to decarbonize electricity through enhanced capacity expansion modelling

To meet ambitious global decarbonization goals, electricity system planning and operations will change fundamentally. With increasing reliance on variable renewable energy resources, energy storage is likely to play a critical accompanying role to help balance generation and consumption patterns. As grid planners, non-profit organizations, non-governmental organizations, policy makers, regulators and other key stakeholders commonly use capacity expansion modelling to inform energy policy and investment decisions, it is crucial that these processes capture the value of energy storage in energy-system decarbonization. Here we conduct an extensive review of literature on the representation of energy storage in capacity expansion modelling. We identify challenges related to enhancing modelling capabilities to inform decarbonization policies and electricity system investments, and to improve societal outcomes throughout the clean energy transition. Additionally, we further identify corresponding research activities that can help overcome these challenges and conclude by highlighting tangible real-world outcomes that will result from pursuing these research activities. Capacity expansion modelling (CEM) approaches need to account for the value of energy storage in energy-system decarbonization. A new Review considers the representation of energy storage in the CEM literature and identifies approaches to overcome the challenges such approaches face when it comes to better informing policy and investment decisions.

25 ENERGY STORAGE↗

Interactive tools for functional annotation of bacterial genomes

Automated annotations of protein functions are error-prone because of our lack of knowledge of protein functions. For example, it is often impossible to predict the correct substrate for an enzyme or a transporter. Furthermore, much of the knowledge that we do have about the functions of proteins is missing from the underlying databases. We discuss how to use interactive tools to quickly find different kinds of information relevant to a protein’s function. Many of these tools are available via PaperBLAST (http://papers.genomics.lbl.gov). Combining these tools often allows us to infer a protein’s function. Ideally, accurate annotations would allow us to predict a bacterium’s capabilities from its genome sequence, but in practice, this remains challenging. We describe interactive tools that infer potential capabilities from a genome sequence or that search a genome to find proteins that might perform a specific function of interest.

59 BASIC BIOLOGICAL SCIENCES↗

Capability Needs for Irradiated and Radioactive Materials Research (Ad hoc Committee Summary Report)

It is essential for the U.S. nuclear energy community to have access to world-leading equipment suitable for conducting research on both nuclear fuels and structural materials, including neutron irradiated–and therefore activated–materials. To address future research infrastructure requirements to support the DOE-NE mission, the Office of Reactor Fleet and Advanced Reactor Deployment established an ad hoc committee to gather information on potential capability gaps for radioactive materials and radiation effects research. This document summarizes the discussions of the committee addressing the high-level challenges in irradiated and radioactive materials research and the capabilities needed to address these challenges. After considering the various needs, the committee agreed on the four top-level targets and priority capability gaps.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CTF: A modernized, production-level, thermal hydraulic solver for the solution of industry-relevant challenge problems in pressurized water reactors

CTF is a thermal hydraulic (T/H) subchannel tool that has been extensively developed over the past ten years as part of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program. The code was selected early in the CASL program for support of high-impact challenge problems that were found to be relevant to the nuclear industry and its currently operating fleet of pressurized water reactors (PWRs), including issues such as departure from nucleate boiling (DNB), crud-induced power shifts (CIPSs), and reactivity-insertion accidents (RIAs). By incorporating CTF into the multiphysics Virtual Environment for Reactor Application (VERA) core simulator software developed by CASL, CTF has become the primary means of providing fluid and fuel thermal feedback, as well as T/H figure-of-merits (FOMs) in large-scale reactor simulations. With the goal of solving industry challenge problems, CASL placed great emphasis on developing high-quality, high-performance, validated software tools that offer higher fidelity than what is currently possible with current industry methods. In support of this effort, CTF was developed from a research tool into an nuclear quality assurance (NQA-1)–compliant, production-level software tool that is capable of addressing the stated challenge problems and goals of CASL. This work presents a review of the major technological achievements that were realized in developing CTF over the past decade of the CASL program and presents an overview of the code solution approach and closure models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The AI-Base NDA Catalog

The project objective was to create a catalog of NDA capabilities so that as future challenges emerge, potential solutions can be quickly identified. The initial direction was to create a custom database where we would manually add various NDA technologies. During the year, LANL leadership heavily embraced AI tools and established LANL’s Enterprise ChatGPT license. To align with this vision, instead of a database we created a custom GPT to achieve the same capability. We provided a series of references on NDA technologies, the most comprehensive of which is the 2024 “PANDA manual” which is a 700-page textbook. A custom GPT is a semi-isolated version of OpenAI’s GPT model that can be tailored to specific tasks with context documents and instructions. Anyone with a LANL ChatGPT Enterprise account can access the NDA Catalog. Since the GPT exists on the green network, only non-sensitive questions may be asked. The Catalog can be used by simply asking questions in conversational English. We have found the Catalog to be quite accurate, even for heavily technical, complex queries. The Catalog allows the user to describe a measurement problem and it will respond with potential technology solutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

An organic electrochemical transistor for multi-modal sensing, memory and processing

By integrating sensing, memory and processing functionalities, biological nervous systems are energy and area efficient. Emulating such capabilities in artificial systems is, however, challenging and is limited by the device heterogeneity of sensing and processing cores. Here we report an organic electrochemical transistor capable of sensing, memory and processing. The device has a vertical traverse architecture and a crystalline–amorphous channel that can be selectively doped by ions to enable two reconfigurable modes: a volatile receptor and a non-volatile synapse. As a volatile receptor, the device is capable of multi-modal sensing and is responsive to stimuli such as ions and light. As a non-volatile synapse, it is capable of 10-bit analogue states, low switching stochasticity and good state retention. We also show that the homogeneous integration of the devices could provide functions such as conditioned reflexes and could be used for real-time cardiac disease diagnoses via reservoir computing.

97 MATHEMATICS AND COMPUTING↗

Examination of the Extreme Cold Weather Event Affecting the Power System in Texas - February 2021 [Slides]

This presentation examines the extreme cold weather event that affected the power system in Texas in February 2021. The Texas load-shedding events were caused by a combination of record-high demand and cold weather issues that reduced the output from all types of generation. While some wind turbines were shutting down due to cold temperatures and icing and a lack of cold-weather packages, hourly wind output was accurately predicted. Extreme weather events historically drive grid reliability. Additional examination of more extreme events is needed to understand their impacts on the power system. As a national lab, NREL has the capabilities and facilities to help the industry address these types of challenges. NREL also has significant simulation and analysis capabilities (such as NAERM) that can help understand the impacts of extreme events. NREL also developed the Advanced Research on Integrated Energy Systems (ARIES) Research Platform, which enables evaluation of technologies that smooth grid operations during events like this.

17 WIND ENERGY↗

Enhancements supporting IC usage of PEM libraries on next-gen platforms

This milestone reports on the culmination of several years of effort by multiple PEM support software development teams to provide capabilities for use in LLNL-developed integrated codes on next-gen ASC platforms, including GPU support. We will provide a survey of relevant Application Program Interfaces (API) that are required to support LLNL IC code capability on relevant architectures, with a focus on Sierra and El Capitan. We will identify and summarize all dependencies between PEM supported libraries and IC supported physics codes. We will provide an assessment of algorithmic improvements that have been deployed, as well as future developments that are required to complete the GPU porting efforts. This assessment will include a description of programming models adopted by each of the PEM projects, distinct algorithmic challenges for each of the capabilities, and information about sharing GPU memory between the APIs and host codes. We will develop targeted test problems to assess computational performance. Finally, this milestone will result in identification of gaps in our effort to assist the LLNL ASC program in prioritization of effort for porting software to El Capitan.

97 MATHEMATICS AND COMPUTING↗

Large scale multi-node simulations of $\mathbb{Z}_2$ gauge theory quantum circuits using Google Cloud Platform

Simulating quantum field theories on a quantum computer is one of the most exciting fundamental physics applications of quantum information science. Dynamical time evolution of quantum fields is a challenge that is beyond the capabilities of classical computing, but it can teach us important lessons about the fundamental fabric of space and time. Whether we may answer scientific questions of interest using near-term quantum computing hardware is an open question that requires a detailed simulation study of quantum noise. Here we present a large scale simulation study powered by a multi-node implementation of qsim using the Google Cloud Platform. We additionally employ newly-developed GPU capabilities in qsim and show how Tensor Processing Units -- Application-specific Integrated Circuits (ASICs) specialized for Machine Learning -- may be used to dramatically speed up the simulation of large quantum circuits. We demonstrate the use of high performance cloud computing for simulating $\mathbb{Z}_2$ quantum field theories on system sizes up to 36 qubits. We find this lattice size is not able to simulate our problem and observable combination with sufficient accuracy, implying more challenging observables of interest for this theory are likely beyond the reach of classical computation using exact circuit simulation.

Gustafson, Erik↗

Emerging anomaly detection techniques for electronic health records: A survey

Background Anomaly detection in electronic health records (EHRs) is a cornerstone of biomedical informatics, with direct implications for patient safety, clinical decision-making, and the prevention of healthcare fraud. Once guided primarily by simple rule-based methods, the field has advanced rapidly, driven by increased computing power, richer and more detailed health data, and the rise of machine learning and deep learning techniques. The objective of this paper is to provide a comprehensive overview of modern approaches to detecting anomalies in EHRs, outlining their strengths, limitations, and relevance to key healthcare challenges. We review traditional statistical methods alongside newer ML- and DL-based strategies and hybrid models, with particular attention to how these techniques support transparency and build clinical trust. Methods This paper presents a thorough and critical survey through systematic review (PRISMA-based) of the latest anomaly detection strategies in time-sequence data domains within electronic health record systems. Results We explore a broad spectrum of methodologies, including statistical models, supervised and unsupervised learning approaches, hybrid frameworks, and state-of-the-art ML-based techniques that collectively advance the precision and scalability of detecting anomalies in complex clinical datasets. In addition to mapping current capabilities, we address the enduring challenges that hinder widespread implementation and provide a forward-looking perspective on the future of anomaly detection in the data-rich landscape of modern healthcare. Summary The advancement in AI-based approaches is reported along with the basic principles of the individual approaches and their applicability. The increased availability of high-quality data, advancements in DL approaches, and enhanced computation power are leading to more frequent adaptation of DL-based approaches. Emerging DL-based approaches that have been adapted in other domains or recently applied in the EHR domain are also discussed in detail. Although DL-based approaches can improve model predictions by incorporating comorbidities, their application is limited in low-frequency data domains (e.g., when the total available data remains in the single digits). Therefore, the user must carefully consider the application based on data availability.

Anomaly detection↗