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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 253 records · Page 14

A methodology for domain overlapping coupling of thermal-hydraulic systems

Multi-scale coupling has increasingly drawn attention as a promising approach for modeling thermal systems. Traditional system codes provide fast and robust predictions at the plant scale, while high-fidelity computational fluid dynamics (CFD)-based tools resolve localized flow and heat transfer phenomena with greater accuracy. By combining these complementary strengths, co-simulations enable multi-scale analysis that would otherwise be computationally prohibitive for a standalone CFD code. Here, this work introduces a robust and problem-agnostic domain overlapping (DO) coupling between the system thermal-hydraulic (STH) code System Analysis Module (SAM) and the coarse-mesh CFD code Pronghorn. Both applications belong to the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite, a code suite in active development at the Idaho National Laboratory (INL), tailored for multi-physics analysis of advanced reactors. Unlike previous approaches, BlueCRAB supports an agnostic interface between codes based on different fidelity, while its coupling formulation can address arbitrary flow geometries with multiple inlets and outlets in coupled components. The implemented method leads to consistent pressure drops, enthalpies, and scalar concentrations between coupled SAM and Pronghorn simulations. The methodology is demonstrated through two verification tests, which ensure the numerical consistency and conservation across the codes, and through one validation test against experimental data. The proposed problems explore different physical aspects inherent to thermal systems, with particular attention given to nuclear reactor analysis. These include buoyancy-driven flows, complex flow patterns, and setups with multiple inlets and outlets, representing challenges in advanced reactor applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

ON THE NATURE OF PROMINENCE EMISSION OBSERVED BY SDO/AIA

The prominence-corona transition region (PCTR) plays a key role in the thermal and pressure equilibrium of solar prominences. Our knowledge of this interface is limited and several major issues remain open, including the thermal structure and, in particular, the maximum temperature of the detectable plasma. The high signal-to-noise ratio of images obtained by the Atmospheric Imaging Assembly (AIA) on NASA's Solar Dynamics Observatory clearly shows that prominences are often seen in emission in the 171 and 131 bands. We investigate the temperature sensitivity of these AIA bands for prominence observations, in order to infer the temperature content in an effort to explain the emission. Using the CHIANTI atomic database and previously determined prominence differential emission measure distributions, we build synthetic spectra to establish the main emission-line contributors in the AIA bands. We find that the Fe IX line always dominates the 171 band, even in the absence of plasma at >10{sup 6} K temperatures, while the 131 band is dominated by Fe VIII. We conclude that the PCTR has sufficient plasma emitting at >4 Multiplication-Sign 10{sup 5} K to be detected by AIA.

79 ASTRONOMY AND ASTROPHYSICS↗

Self-assembly of electronically abrupt borophene/organic lateral heterostructures

Two-dimensional boron sheets (that is, borophene) have recently been realized experimentally and found to have promising electronic properties. Because electronic devices and systems require the integration of multiple materials with well-defined interfaces, it is of high interest to identify chemical methods for forming atomically abrupt heterostructures between borophene and electronically distinct materials. Toward this end, we demonstrate the selfassembly of lateral heterostructures between borophene and perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA). These lateral heterostructures spontaneously form upon deposition of PTCDA onto submonolayer borophene on Ag(111) substrates as a result of the higher adsorption enthalpy of PTCDA on Ag(111) and lateral hydrogen bonding among PTCDA molecules, as demonstrated by molecular dynamics simulations. In situ x-ray photoelectron spectroscopy confirms the weak chemical interaction between borophene and PTCDA, while molecular-resolution ultrahigh-vacuum scanning tunneling microscopy and spectroscopy reveal an electronically abrupt interface at the borophene/PTCDA lateral heterostructure interface. As the first demonstration of a borophene-based heterostructure, this work will inform emerging efforts to integrate borophene into nanoelectronic applications

25 ENERGY STORAGE↗

The Hydropower Game: An Interactive Learning Tool for the Future Hydropower Workforce

This report documents a Seedling project supported by the U.S. Department of Energy (DOE) Water Power Technologies Office (WPTO), conducted by Argonne National Laboratory (ANL) and the National Laboratory of the Rockies (NLR). The Seedling and Sapling Program provides small grants over short duration to enable early-stage research at national laboratories. This funding mechanism is intended to cultivate innovative ideas and expand research road maps in hydropower and marine energy technologies. Under this Seedling award, the project team developed an educational outreach tool, or “serious game”, built in Python and powered by the Pygame library, aimed at teaching fundamental hydropower concepts through an engaging, interactive learning experience. The game features multiple lessons covering several hydropower topics while allowing for expansion and customization in the instance of future funding availability: • Hydropower Plant Types: Players explore and compare the mechanics and applications of run-of-river, dam hydropower, and pumped-storage hydropower. • Flow Dynamics and Power Generation: Interactive tasks demonstrate how release rate and hydraulic head combine to determine power output. • Grid Operations and Load Following: Simulations illustrate how hydropower facilities respond to fluctuating electricity demand to balance the grid. • Market Integration: Levels scaffold understanding of how hydropower interfaces with the broader energy market, including operational and economic considerations. The tool was showcased at several science, technology, engineering, and mathematics (STEM) outreach events, where it was demoed to students, educators, and the general public. These events provided valuable opportunities to collect feedback on the gameplay, storyline, and educational objectives from a wide audience. The game was presented at STEMapalooza, Introduce a Girl to Engineering Day, STEMCON, and Clean Currents 2025. Insights gathered during these demonstrations informed refinements to the game’s user experience and strengthened its effectiveness as an educational tool for teaching hydropower concepts. This report outlines the game’s design philosophy, educational objectives, technical implementation, user experience insights, and potential for broader deployment within educational and workforce development contexts. It emphasizes how gamified learning can demystify complex hydropower science and inspire interest in water-power technologies. The project’s success demonstrates the value of Seedling funding in fostering creative, lowcost educational tools that support DOE’s mission to advance energy literacy and innovation. The report concludes with recommendations for expanding the tool by adding new levels, integrating assessment metrics, and exploring commercialization or deployment pathways through future Sapling funding. The official webpage of the Hydropower Game, which includes a link to the educational tool, can be accessed at www.anl.gov/hydropower/hydropower-game.

13 HYDRO ENERGY↗

Structural organization of a major neuronal G protein regulator, the RGS7-Gβ5-R7BP complex

Signaling by the G-protein-coupled receptors (GPCRs) plays fundamental role in a vast number of essential physiological functions. Precise control of GPCR signaling requires action of regulators of G protein signaling (RGS) proteins that deactivate heterotrimeric G proteins. RGS proteins are elaborately regulated and comprise multiple domains and subunits, yet structural organization of these assemblies is poorly understood. Here, we report a crystal structure and dynamics analyses of the multisubunit complex of RGS7, a major regulator of neuronal signaling with key roles in controlling a number of drug target GPCRs and links to neuropsychiatric disease, metabolism, and cancer. The crystal structure in combination with molecular dynamics and mass spectrometry analyses reveals unique organizational features of the complex and long-range conformational changes imposed by its constituent subunits during allosteric modulation. Notably, several intermolecular interfaces in the complex work in synergy to provide coordinated modulation of this key GPCR regulator.

Patil, Dipak N.↗

Identification and Testing of Electric Vehicle Fast Charger Cybersecurity Mitigations

Fast-charging infrastructure for electric vehicles (EVs) is needed to enable and achieve the national goals of transitioning the vehicle fleet toward more electrification. Idaho National Laboratory, Oak Ridge National Laboratory, and the National Renewable Energy Laboratory (NREL) have jointly worked to identify, evaluate, and mitigate potential cyber-related consequences associated with fast charger systems. NREL contributed by considering cyberattack scenarios and consequences associated with integrating distributed energy resources (DERs) at fast-charging stations. The dynamic nature of fast-charger load profiles would encourage site operators to incorporate solar for energy cost reduction and energy storage for peak demand cost management at future charging facilities with multiple fast chargers at a site. These energy resources would be monitored and coordinated via a site energy management controller with data exchange between devices and local power metering infrastructure; thus, networking between devices and the design of the system becomes important in the overall cybersecurity posture. In addition, component vendors and system operators might have remote interfaces to any of these systems. It is therefore important to understand the breadth of the cyberattack surface and potential strategies to mitigate impacts. This project has focused on components and protocols expected to be found within a local charging site that includes multiple chargers and DER resources. Our methods and results are summarized in this final report.

42 ENGINEERING↗

Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space

Many genomes contain families of paralogs—proteins with divergent function that evolved from a common ancestral gene after a duplication event. To understand how paralogous transcription factors evolve divergent DNA specificities, we examined how the glucocorticoid receptor and its paralogs evolved to bind activating response elements [(+)GREs] and negative glucocorticoid response elements (nGREs). We show that binding to nGREs is a property of the glucocorticoid receptor (GR) DNA-binding domain (DBD) not shared by other members of the steroid receptor family. Using phylogenetic, structural, biochemical, and molecular dynamics techniques, we show that the ancestral DBD from which GR and its paralogs evolved was capable of binding both nGRE and (+)GRE sequences because of the ancestral DBD’s ability to assume multiple DNA-bound conformations. Subsequent amino acid substitutions in duplicated daughter genes selectively restricted protein conformational space, causing this dual DNA-binding specificity to be selectively enhanced in the GR lineage and lost in all others. Key substitutions that determined the receptors’ response element-binding specificity were far from the proteins’ DNA-binding interface and interacted epistatically to change the DBD’s function through DNA-induced allosteric mechanisms. These amino acid substitutions subdivided both the conformational and functional space of the ancestral DBD among the present-day receptors, allowing a paralogous family of transcription factors to control disparate transcriptional programs despite high sequence identity.

59 BASIC BIOLOGICAL SCIENCES↗

Theory and Simulation of Nanoscale Phenomena

The Center for Integrated Nanotechnologies (CINT) is a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC), operating as a national user facility devoted to establishing the scientific principles that govern nanoscale integration. Nanoscale integration is defined as assembling diverse nanoscale materials across length scales to design and achieve new properties and functionality. The CINT Theory and Simulation of Nanoscale Phenomena thrust is the component of CINT dedicated to developing and applying theory to enable nanoscale integration. Our focus is on understanding and simulating the unique behavior of integrated materials and systems with nanoscale structure. This mission is achieved through collaborations with CINT Users, between thrust scientists, and with CINT scientists from other thrusts. Our research is focused on three science directions that together form the basis for integration at the nanoscale, namely (i) Hierarchical structure and dynamics in soft matter, (ii) Excitation and Transport in Nanostructured Systems, and (iii) Emergent phenomena at surfaces and interfaces. A broad spectrum of techniques is developed and applied including continuum fluid theory, atomistic and coarse-grained molecular dynamics simulations, static and dynamic electronic structure calculations, multiscale modeling, low-energy effective Hamiltonian methods, and perturbative and exact quantum many-body approaches. These tools are applied to physical systems of interest to CINT Users, the other CINT thrusts, and the general scientific community with the goals of understanding and controlling the interactions between nanoscale building blocks to assemble specific integrated structures, controlling energy transfer and other interactions over multiple length scales, and designing and exploiting the interactions within assembled structures to achieve new materials functionality.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Characterization of a new ultra-high pressure shock tube facility for combustion and propulsion studies

A new shock tube facility has been designed, constructed, and characterized at the University of Central Florida. This facility is capable of withstanding pressures of up to 1000 atm, allowing for combustion diagnostics of extreme conditions, such as in rocket combustion chambers or in novel power conversion cycles. For studies with toxic gas impurities, the high initial pressures required the development of a gas delivery system to ensure the longevity of the facility and the safety of the personnel. Data acquisition and experimental propagation were implemented with remote access to ensure safety, paired with a LabVIEW- and Python-based user interface. Thus far, test pressures of 270 atm, blast pressures of 730 atm, and temperatures approaching 10 000 K have been achieved. The extreme limitations of this facility allow for emission spectroscopy to be performed during the oxidation of fuel mixtures, e.g., alkanes diluted in argon and carbon dioxide. Ignition delay times were determined and compared to simulations using chemical kinetic mechanisms. The design, experimental procedures, processes of analysis, and uncertainty determination are outlined, and typical pressure profiles are compared with a new gas dynamics solver and empirical correlations developed across multiple shock tube facilities. Preliminary reactive mixture analyses are included with further investigation of the mixtures outlined.

47 OTHER INSTRUMENTATION↗

Comparison of Shadowgraphy and X-Ray Phase Contrast Methods for Characterizing a DT Ice Layer in an Inertial Confinement Fusion Target

Shadowgraphy and x-ray phase contrast (XPC) imaging are two techniques that are used for characterizing the deuterium-tritium ice layer in Inertial Confinement Fusion targets. Each technique has limitations that affect how accurately they can characterize small crystalline defects and measure the ice-thickness non-uniformities that may be only a few micrometers in height. The concern is that shadowgraphy may be overly sensitive to the shape and depth of defects in the surface and insufficiently sensitive to the shape of longer-wavelength roughness, while x-ray phase contrast may be too insensitive to defects in the ice surface. Multiple ice layers with different thicknesses (40 to 63 μm), thickness uniformities (peak-valley variations that range from <2- to 12 μm), and crystal defects were analyzed using shadowgraphy and x-ray phase contrast techniques. The results from each method agree when the ice layer is uniformly thick and the crystal lacks defects. That agreement worsens as the number of defects in the surface of the ice layer increases and the roughness that is determined from a shadowgram image of the target’s limb is greater than can be justified by the number of defects that are seen in the target’s front and rear surfaces. The XPC technique is considerably less sensitive to surface defects, in part due to the poorer dynamic range and image resolution compared to shadowgraphy. Localized regions of the ice layer that are thicker or thinner than the average thickness of the layer are reported by shadowgraphy to be smaller in height and footprint (by up to 30%) than by XPC. As a result, the two techniques report different ice layer thicknesses that can vary by up to 10%. Shadowgraphy results from two caustics that trace different paths through the target, and, in theory, image the same ice-vapor surface (but reflect from either the vapor or ice side of the interface) did not consistently characterize the size or shape of ice features to be the same magnitude. Here, the XPC technique provides the best assessment of low-mode (l < 7) roughness in the ice layer. Shadowgraphy results using the strongest caustic is best for detecting the presence of grooves in the ice, though not for quantifying the size of them. If multiple grooves are present it is best to discard and reform the ice layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Designing and defining dynamic protein cage nanoassemblies in solution

Central challenges in the design of large and dynamic macromolecular assemblies for synthetic biology lie in developing effective methods for testing design strategies and their outcomes, including comprehensive assessments of solution behavior. Here, we created and validated an advanced design of a 600-kDa protein homododecamer that self-assembles into a symmetric tetrahedral cage. The monomeric unit is composed of a trimerizing apex-forming domain genetically linked to an edge-forming dimerizing domain. Enhancing the crystallographic results, high-throughput small-angle x-ray scattering (SAXS) comprehensively contrasted our modifications under diverse solution conditions. To generate a phase diagram associating structure and assembly, we developed force plots that measure dissimilarity among multiple SAXS data sets. These new tools, which provided effective feedback on experimental constructs relative to design, have general applicability in analyzing the solution behavior of heterogeneous nanosystems and have been made available as a web-based application. Specifically, our results probed the influence of solution conditions and symmetry on stability and structural adaptability, identifying the dimeric interface as the weak point in the assembly. Force plots comparing SAXS data sets further reveal more complex and controllable behavior in solution than captured by our crystal structures. Lastly, these methods for objectively and comprehensively comparing SAXS profiles for systems critically affected by solvent conditions and structural heterogeneity provide an enabling technology for advancing the design and bioengineering of nanoscale biological materials.

59 BASIC BIOLOGICAL SCIENCES↗

High-Throughput Microfluidics Platform for Intracellular Delivery and Sampling of Biomolecules from Live Cells

Nondestructive cell membrane permeabilization systems enable the intracellular delivery of exogenous biomolecules for cell engineering tasks as well as the temporal sampling of cytosolic contents from live cells for the analysis of dynamic processes. Here, in this paper, we report a microwell array format live-cell analysis device (LCAD) that can perform localized-electroporation induced membrane permeabilization, for cellular delivery or sampling, and directly interfaces with surface-based biosensors for analyzing the extracted contents. We demonstrate the capabilities of the LCAD via an automated high-throughput workflow for multimodal analysis of live-cell dynamics, consisting of quantitative measurements of enzyme activity using self-assembled monolayers for MALDI mass spectrometry (SAMDI) and deep-learning enhanced imaging and analysis. By combining a fabrication protocol that enables robust assembly and operation of multilayer devices with embedded gold electrodes and an automated imaging workflow, we successfully deliver functional molecules (plasmid and siRNA) into live cells at multiple time-points and track their effect on gene expression and cell morphology temporally. Furthermore, we report sampling performance enhancements, achieving saturation levels of protein tyrosine phosphatase activity measured from as few as 60 cells, and demonstrate control over the amount of sampled contents by optimization of electroporation parameters using a lumped model. Lastly, we investigate the implications of cell morphology on electroporation-induced sampling of fluorescent molecules using a deep-learning enhanced image analysis workflow.

59 BASIC BIOLOGICAL SCIENCES↗

Development of CFD Flow Analysis for Nuclear Facility Ventilation Systems

Understanding and modeling of particulate transport has importance related to safety in ventilated environments that contain hot cells, gloveboxes, and fume hoods. In particular, good modeling of the airflow in these spaces is required to understand areas of stagnation where particles drop out of the free stream and accumulate. This accumulation of particulate can cause either contamination and/or higher than acceptable local dose levels. It is known that multiple sites across the DOE complex take credit for hot cells, gloveboxes, and/or hoods in their safety basis for providing a defense-in-depth benefit for both onsite and offsite releases. By providing confinement of radioactive materials, such features serve to reduce direct doses to facility workers and mitigate the consequences to the environment due to an uncontrolled release. Each of these features has access points that interface with the personnel space. Understanding how air flow behaves at these access points is of great interest to those performing hazard analysis. Computational Fluid Dynamics (CFD) can be used to analyze and model the flows in hot cells and glove boxes as a way to confirm operation. While CFD capability continues to advance, there are still important modeling assumptions that are left to the analyst's discretion. These are most notably the choice of the turbulence models, mesh structure, and wall boundary condition assumptions used in the model. In this work, we apply CFD in modeling airflow through an occupiable work area of the Alpha Gamma Hot Cell Facility (AGHCF) at Argonne National Laboratory (ANL). This modeling is then compared to field test data to both inform and verify the modeling assumptions. Based on the results of field tests, modeling assumptions and boundary conditions are refined and the process is repeated until the results are found to be reliable with a high level of confidence.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Software for Sharing and Management of Information

DIAMS is a set of computer programs that implements a system of collaborative agents that serve multiple, geographically distributed users communicating via the Internet. DIAMS provides a user interface as a Java applet that runs on each user s computer and that works within the context of the user s Internet-browser software. DIAMS helps all its users to manage, gain access to, share, and exchange information in databases that they maintain on their computers. One of the DIAMS agents is a personal agent that helps its owner find information most relevant to current needs. It provides software tools and utilities for users to manage their information repositories with dynamic organization and virtual views. Capabilities for generating flexible hierarchical displays are integrated with capabilities for indexed- query searching to support effective access to information. Automatic indexing methods are employed to support users queries and communication between agents. The catalog of a repository is kept in object-oriented storage to facilitate sharing of information. Collaboration between users is aided by matchmaker agents and by automated exchange of information. The matchmaker agents are designed to establish connections between users who have similar interests and expertise.

Chen, James R.↗

Advanced Modes of Electrostatic and Kelvin Probe Force Microscopy for Energy Applications

Since their invention over three decades ago, electrostatic and Kelvin probe force microscopies (EFM and KPFM) have become primary tools for the characterization of electrical phenomena on the nanometer scale, with multiple applications for ferroelectrics, photovoltaics, batteries, and fuel cells among a myriad of other energy-related materials. Meanwhile, the techniques have undergone remarkable advances in terms of resolution, sensitivity, and informational content (e.g., dynamic information). In this chapter, we review the operational principles behind classical EFM/KPFM, including the various excitation/detection schemes, while also highlighting potential cross-talk and instrumental issues. Beyond classical approaches, we will describe more recent advances involving open loop detection, multifrequency/multidimensional excitation, and time-resolved methods. Finally, potential pathways for the further development of EFM/KPFM at the solid-liquid interface are discussed.

Checa, Marti↗

Two-dimensional CFD modeling of wave rotor flow dynamics

A two-dimensional Navier-Stokes solver developed for detailed study of wave rotor flow dynamics is described. The CFD model is helping characterize important loss mechanisms within the wave rotor. The wave rotor stationary ports and the moving rotor passages are resolved on multiple computational grid blocks. The finite-volume form of the thin-layer Navier-Stokes equations with laminar viscosity are integrated in time using a four-stage Runge-Kutta scheme. The Roe approximate Riemann solution scheme or the computationally less expensive Advection Upstream Splitting Method (AUSM) flux-splitting scheme are used to effect upwind-differencing of the inviscid flux terms, using cell interface primitive variables set by MUSCL-type interpolation. The diffusion terms are central-differenced. The solver is validated using a steady shock/laminar boundary layer interaction problem and an unsteady, inviscid wave rotor passage gradual opening problem. A model inlet port/passage charging problem is simulated and key features of the unsteady wave rotor flow field are identified. Lastly, the medium pressure inlet port and high pressure outlet port portion of the NASA Lewis Research Center experimental divider cycle is simulated and computed results are compared with experimental measurements. The model accurately predicts the wave timing within the rotor passage and the distribution of flow variables in the stationary inlet port region.

Welch, Gerard E.↗

Two-dimensional CFD modeling of wave rotor flow dynamics

A two-dimensional Navier-Stokes solver developed for detailed study of wave rotor flow dynamics is described. The CFD model is helping characterize important loss mechanisms within the wave rotor. The wave rotor stationary ports and the moving rotor passages are resolved on multiple computational grid blocks. The finite-volume form of the thin-layer Navier-Stokes equations with laminar viscosity are integrated in time using a four-stage Runge-Kutta scheme. Roe's approximate Riemann solution scheme or the computationally less expensive advection upstream splitting method (AUSM) flux-splitting scheme is used to effect upwind-differencing of the inviscid flux terms, using cell interface primitive variables set by MUSCL-type interpolation. The diffusion terms are central-differenced. The solver is validated using a steady shock/laminar boundary layer interaction problem and an unsteady, inviscid wave rotor passage gradual opening problem. A model inlet port/passage charging problem is simulated and key features of the unsteady wave rotor flow field are identified. Lastly, the medium pressure inlet port and high pressure outlet port portion of the NASA Lewis Research Center experimental divider cycle is simulated and computed results are compared with experimental measurements. The model accurately predicts the wave timing within the rotor passages and the distribution of flow variables in the stationary inlet port region.

Welch, Gerard E.↗

AirShow 1.0 CFD Software Users' Guide

AirShow is visualization post-processing software for Computational Fluid Dynamics (CFD). Upon reading binary PLOT3D grid and solution files into AirShow, the engineer can quickly see how hundreds of complex 3-D structured blocks are arranged and numbered. Additionally, chosen grid planes can be displayed and colored according to various aerodynamic flow quantities such as Mach number and pressure. The user may interactively rotate and translate the graphical objects using the mouse. The software source code was written in cross-platform Java, C++, and OpenGL, and runs on Unix, Linux, and Windows. The graphical user interface (GUI) was written using Java Swing. Java also provides multiple synchronized threads. The Java Native Interface (JNI) provides a bridge between the Java code and the C++ code where the PLOT3D files are read, the OpenGL graphics are rendered, and numerical calculations are performed. AirShow is easy to learn and simple to use. The source code is available for free from the NASA Technology Transfer and Partnership Office.

Mohler, Stanley R., Jr.↗