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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 91 records · Page 5

Magnon confinement in epitaxial antiferromagnetic oxide heterostructures.

Magnons, the quanta of spin waves, have been extensively studied in a range of materials for spintronics, particularly for non-volatile logic-in-memory devices. Controlling magnons in conventional antiferromagnets and harnessing them in practical applications, however, remains a challenge. Here, we demonstrate highly efficient magnon transport in a LaFeO3/ BiFeO3/ LaFeO3 all-antiferromagnetic system, which can be controlled electrically, making it highly desirable for energy-efficient computation. Leveraging spin-orbit-driven spin-charge transduction, we demonstrate that this material architecture permits magnon confinement in ultrathin antiferromagnets, enhancing the output voltage generated by magnon transport by several orders of magnitude, which provides a pathway to enable magnetoelectric memory and logic functionalities. Additionally, the non-volatility of output voltage enables ultralowpower logic-in-memory processing, where magnonic devices can be efficiently reconfigured via electrically controlled magnon spin currents within magnetoelectric channels.

Husain, Sajid↗

Nonlinear susceptibilities for weakly turbulent magnetized plasma: Electrostatic approximation

The plasma weak turbulence theory is a perturbative nonlinear theory, which has been proven to be quite valid in a number of applications. However, the standard weak turbulence theory found in the literature is fully developed for highly idealized unmagnetized plasmas. As many plasmas found in nature and laboratory are immersed in a background static magnetic field, it is necessary to extend the existing discussions to include the effects of ambient magnetic field. Such a task is quite formidable, however, which has prevented fundamental and significant progresses in the subject matter. The central difficulty lies in the formulation of the complete nonlinear response functions for magnetized plasmas. The present paper derives the nonlinear susceptibilities for weakly turbulent magnetized plasmas up to the third order nonlinearity, but in doing so, a substantial reduction in mathematical complexity is achieved by the use of Bessel function addition theorem (or sum rule). The present paper also constructs the weak turbulence wave kinetic equation in a formal sense. For the sake of simplicity, however, the present paper assumes the electrostatic interaction among plasma particles. Fully electromagnetic generalization is a subject of a subsequent paper.

Physics↗

Nonlinear susceptibilities for weakly turbulent magnetized plasma: Electromagnetic formalism

This is a companion paper to the previous work [P. H. Yoon, Phys. Plasmas 31, 032309 (2024)] in which the nonlinear susceptibilities of weakly turbulent magnetized plasma are derived under a simplifying assumption of electrostatic interaction. The present paper extends the analysis to a general situation of electromagnetic interaction. The main novelty of the previous and present papers is that by employing the Bessel function addition theorem, the mathematical definitions for the susceptibilities are substantially simplified, a procedure that has not been discussed in the existing literature. In the present paper, a full set of Maxwell’s equations are considered in conjunction with the nonlinear Vlasov equation, which is solved by a perturbative method. The result is a fully general nonlinear susceptibility, given in tensorial form, which is applicable for weakly turbulent magnetized plasmas.

Materials Science↗

From prediction to experimental realization of ferroelectric wurtzite Al1− x Gd x N alloys

AlN-based alloys find widespread application in high-power microelectronics, optoelectronics, and electromechanics. The realization of ferroelectricity in wurtzite AlN-based heterostructural alloys has opened up the possibility of directly integrating ferroelectrics with conventional microelectronics based on tetrahedral semiconductors, such as Si, SiC, and III–Vs, enabling compute-in-memory architectures, high-density data storage, and more. The discovery of AlN-based wurtzite ferroelectrics has been driven to date by chemical intuition and empirical explorations. Here, we demonstrate the computationally-guided discovery and experimental demonstration of new ferroelectric wurtzite Al1−xGdxN alloys. First-principles calculations indicate that the minimum energy pathway for switching changes from a collective to an individual switching process with a lower overall energy barrier, at a rare-earth fraction x with x > 0.10–0.15. Experimentally, ferroelectric switching is observed at room temperature in Al1−xGdxN films with x > 0.12, which strongly supports the switching mechanisms in wurtzite ferroelectrics proposed previously [Lee et al., Sci. Adv. 10, eadl0848 (2024)]. This is also the first demonstration of ferroelectricity in an AlN-based alloy with a magnetic rare-earth element, which could pave the way for additional functionalities such as multiferroicity and opto-ferroelectricity in this exciting class of AlN-based materials.

36 MATERIALS SCIENCE↗

Identification and characterization of a small-molecule metallophore involved in lanthanide metabolism

Many bacteria secrete metallophores, low-molecular-weight organic compounds that bind ions with high selectivity and affinity, in order to access essential metals from the environment. Previous work has elucidated the structures and biosynthetic machinery of metallophores specific for iron, zinc, nickel, molybdenum, and copper. No physiologically relevant lanthanide-binding metallophore has been discovered despite the knowledge that lanthanide metals (Ln) have been revealed to be essential cofactors for certain alcohol dehydrogenases across a diverse range of phyla. Here, we report the biosynthetic machinery, the structure, and the physiological relevance of a lanthanophore, methylolanthanin. The structure of methylolanthanin exhibits a unique 4-hydroxybenzoate moiety which has not previously been described in other metallophores. We find that production of methylolanthanin is required for normal levels of Ln accumulation in the methylotrophic bacterium Methylobacterium extorquens AM1, while overexpression of the molecule greatly increases bioaccumulation and adsorption. Our results provide a clearer understanding of how Ln-utilizing bacteria sense, scavenge, and store Ln; essential processes in the environment where Ln are poorly bioavailable. More broadly, the identification of this lanthanophore opens doors for study of how biosynthetic gene clusters are repurposed for additional functions and the complex relationship between metal homeostasis and fitness.

Science & Technology - Other Topics↗

Mycobacterial DNA polymerase I: activities and crystal structures of the POL domain as apoenzyme and in complex with a DNA primer-template and of the full-length FEN/EXO–POL enzyme

Mycobacterial Pol1 is a bifunctional enzyme composed of an N-terminal DNA flap endonuclease/5' exonuclease domain (FEN/EXO) and a C-terminal DNA polymerase domain (POL). Here we document additional functions of Pol1: FEN activity on the flap RNA strand of an RNA:DNA hybrid and reverse transcriptase activity on a DNA-primed RNA template. We report crystal structures of the POL domain, as apoenzyme and as ternary complex with 3'-dideoxy-terminated DNA primer-template and dNTP. The thumb, palm, and fingers subdomains of POL form an extensive interface with the primer-template and the triphosphate of the incoming dNTP. Progression from an open conformation of the apoenzyme to a nearly closed conformation of the ternary complex entails a disordered-to-ordered transition of several segments of the thumb and fingers modules and an inward motion of the fingers subdomain—especially the O helix—to engage the primer-template and dNTP triphosphate. Distinctive structural features of mycobacterial Pol1 POL include a manganese binding site in the vestigial 3' exonuclease subdomain and a non-catalytic water-bridged magnesium complex at the protein-DNA interface. We report a crystal structure of the bifunctional FEN/EXO–POL apoenzyme that reveals the positions of two active site metals in the FEN/EXO domain.

59 BASIC BIOLOGICAL SCIENCES↗

Optimal Control Strategy With Efficiency and Reliability Improvement for Offshore DC Microgrids

Offshore microgrids, due to their remote location and lack of external energy support, face significant challenges in wide-range load operation and maintenance. Consequently, efficiency and reliability are critical concerns for converters in offshore dc microgrids. This article presents an optimal control strategy aimed at enhancing both efficiency and reliability. A normalized nonlinear relationship between power loss and thermal stress of a paralleled converter is first established. Based on this, a dual-objective optimization function with an active weight function as well as a system overall performance index is established. The active weight function dynamically adjusts the control priority based on converter efficiency and switching device thermal stress. Then, the optimal power-sharing strategy is derived by the Lagrange multiplier method with the proposed optimal function. Additionally, to accommodate a wide load range, an optimal selection strategy for operating converter combinations is proposed, requiring only low-bandwidth communication. Experiment verification is given to validate the effectiveness of the proposed control strategy. The experiment results demonstrate that the proposed control strategy can improve the overall performance of offshore microgrids by optimizing efficiency and reliability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

eDNAjoint: An R package for interpreting paired or semi‐paired environmental DNA and traditional survey data in a Bayesian framework

Abstract Environmental DNA (eDNA) sampling is increasingly used in surveys of species distribution as a potentially sensitive and efficient monitoring method. Yet access to modelling tools designed specifically for interpreting this new data type lags behind its ubiquity. While occupancy modelling software has dominated the analytical landscape for eDNA data analysis of single species, this type of model may not always be the most appropriate. The rate of eDNA detection often corresponds to species density, rather than just occupancy, and researchers often have access to observations from non‐genetic sampling methods at the same sites. To provide users access to a modelling framework designed to maximize the use of all available data, we developed an R package, eDNAjoint . The package provides an easy‐to‐use interface for fitting a ‘joint’ model that integrates data from paired or semi‐paired eDNA and traditional surveys in a Bayesian framework. The model can be used to estimate parameters like the probability of a false positive eDNA detection and mean catch rate at a site, and the package allows access to multiple model variations and Bayesian prior customization. Additional functionality can be used for model selection, summarising posteriors and comparing the relative sensitivities of the two survey methods. We demonstrate the use of eDNAjoint by fitting a variation of the model with site‐level covariates that scale the sensitivity of eDNA sampling relative to traditional sampling. The example workflow uses binary eDNA and seine count data for the endangered tidewater goby ( Eucyclogobius newberryi ) from a study by Schmelzle and Kinziger (2016). This use case includes a prior sensitivity analysis and an evaluation of the relationship between detection rates and environmental variables. eDNAjoint has the potential to greatly increase the range of users who will be able to rigorously analyse eDNA and traditional survey data in a Bayesian framework, understand if and how eDNA can improve monitoring practices, and gain confidence in the interpretability of eDNA data.

Keller, Abigail G. [Department of Environment Scie↗

Passive sensing of a microparticle modified hybrid, fiber-reinforced composite

The widespread commercial adoption of high-performance, fiber-reinforced composites has pushed research interests toward the next generation of composites. These new composites are tasked with integrating additional functionalities into the structures without causing a trade-off in mechanical performance. One such functionality that has received significant interest is sensing. This is especially important for composites using high-performance fibers (e.g., carbon fiber) because their strain-to-failure is relatively low, resulting in brittle fracture. Besides, fiber damage can be hidden within the composite, potentially leading to premature catastrophic failure if not detected. In prior research, we demonstrated continuous feed-through deposition of ceramic nanoparticles on carbon fiber’s surface that simultaneously enhanced both the piezoresistive response and interlaminar shear strength. In this work, a similar continuous feed-through deposition process was used to demonstrate passive sensing and energy harvesting by integrating ferroelectric microparticles on the surface of electrically nonconductive fibers. The sensing and energy harvesting capabilities were characterized by mechanically straining composite beams and measuring the power generated. The improvements in mechanical properties are shown through interlaminar shear strength tests. Therefore, this research aims to demonstrate a high throughput, commercially scalable approach to coat fibers with ferroelectric microparticles that enable passive sensing as well as improved mechanical performance when fabricated into a fiber-reinforced composite.

Bowland, Christopher↗

Tensile and fatigue characterization of multifunctional composites

This research is part of a larger effort to develop advanced self-sensing multifunctional polymer composites that are both lightweight and high-strength, while also enabling structural damage detection, fatigue cycle monitoring, and service life prediction. These multifunctional composites are particularly sought after in the automotive industry for their potential to significantly reduce vehicle weight and simultaneously provide additional functionality like condition monitoring to enhance safety. This study examines the tensile and fatigue properties of a composite material composed of acrylonitrile butadiene styrene (ABS) polymer embedded with piezoelectric barium titanate (BaTiO3) nanoparticles. The integration of BaTiO3 nanoparticles not only supplies the material with self-sensing capabilities but also influences its mechanical properties. While a high content of BaTiO3 nanoparticles is desired to enhance sensing capacity, the brittle nature of such materials causes concerns of decreased strength characteristics. To explore this, various composite samples were fabricated with nanoparticle contents ranging from 0 wt% to 20 wt%. These samples underwent tensile testing to measure their ultimate tensile strengths and Young’s moduli. Following this, fatigue tests were conducted to generate S-N curves, which are essential for understanding the material's durability under cyclic loading. The findings from these tests assess the impact of nanoparticle content on the composite’s tensile strength and fatigue life, providing essential insights that can guide the optimization and design of future self-sensing multifunctional composites. The results suggest that 5 wt% BaTiO3 provides an optimal balance between mechanical properties and nanoparticle concentration, making it a promising composition for semi-structural applications.

Bowland, Christopher [ORNL] (ORCID:000000021229431↗

Lipid Droplets: Packing Hydrophobic Molecules Within the Aqueous Cytoplasm

Lipid droplets, also known as oil bodies or lipid bodies, are plant organelles that compartmentalize neutral lipids as a hydrophobic matrix covered by proteins embedded in a phospholipid monolayer. Some of these proteins have been known for decades, such as oleosins, caleosins, and steroleosins, whereas a host of others have been discovered more recently with various levels of abundance on lipid droplets, depending on the tissue and developmental stage. In addition to a growing inventory of lipid droplet proteins, the subcellular machinery that contributes to the biogenesis and degradation of lipid droplets is being identified and attention is turning to more mechanistic questions regarding lipid droplet dynamics. While lipid droplets are mostly regarded as storage deposits for carbon and energy in lipid-rich plant tissues such as seeds, these organelles are present in essentially all plant cells, where they display additional functions in signaling, membrane remodeling, and the compartmentalization of a variety of hydrophobic components. Remarkable metabolic engineering efforts have demonstrated the plasticity of vegetative tissues such as leaves to synthesize and package large amounts of storage lipids, which enable future applications in bioenergy and the engineering of high-value lipophilic compounds. Here, we review the growing body of knowledge about lipid droplets in plant cells, describe the evolutionary similarity and divergence in their associated subcellular machinery, and point to gaps that deserve future attention.

60 APPLIED LIFE SCIENCES↗

Inl Open Ondemand Applications

Open OnDemand is a software tool that is used to access HPC resources. It provides a framework for organizations to create apps and other additional functionality that may be useful to the organization. This code expands upon the pre-existing INL applications, including the NEAMS Workbench application, MOOSE Herd applications, and others. These changes significantly expand upon the functionality originally provided. Due to the extensive functionality that we added, these changes would not be added to the original application but would function as a standalone application that other organizations would be able to utilize on their own systems.

Biggs, BrandonS.↗

Battery Performance and Cost Model (BatPaC) Version 6.0

SF-26-016 The Battery Performance and Cost model (BatPaC) is a calculation method based on Microsoft Excel spreadsheets that has been developed at Argonne for estimating the performance and manufacturing cost of lithium-ion batteries for electric-drive vehicles including hybrid-electrics (HEV), plug-in hybrids (PHEVs) and pure electrics. BatPaC was first developed in 2007, was subsequently peer reviewed, and it has served Argonne researchers and the greater battery community in studying the impact of material properties on performance at the pack level. BatPaC has been updated and re-released multiple times since its original public release in 2011. This current version is BatPaC 6.0, which contains additional functionality needed to handle advances in automotive batteries, like the use of lithium metal and silicon anodes and the need to accommodate cell expansion and apply high levels of pressure.

KNEHR, KEVIN [Argonne National Laboratory (ANL), A↗

ManiPIO - Manipulate Process I/O for Industrial Control Systems

The Manipulate Process Input/Output (IO) (ManiPIO) program allows users to develop custom scripts to execute Industrial Control System (ICS) manipulations. The driving development principles of ManiPIO are modularity and ease of use. Currently the program can utilize the Modbus TCP communication protocol, but its modular programming structure allows other protocols to be quickly and easily implemented. Additional functionality can be added to fit specific user needs, due to the usage of Python classes. The input configuration instructions are human readable and allow the user to create a complex series of control system manipulations.

97 MATHEMATICS AND COMPUTING↗

Plasma Wall Interaction with 3-D Plasma Boundaries

The interaction of the edge plasma and the material surfaces is one of the most critical challenges on the path to harness fusion power as new, fundamental energy source. This challenge typically combines the thrust to reach high density, low temperature (detached) plasmas in front of the divertor target plates as well as understanding the plasma material interaction (PMI) in particular in this regime. The combination of both research thrusts represents an extraordinarily challenging subject encompassing spatial scales spanning nanometers to meters in all states of matter and across a broad energy range. Modeling capabilities, which help to interpret data from nowadays experiments and enable extrapolation to future devices are urgently required. This is in particular true for toroidal magnetic confinement devices with three-dimensional (3D) plasma boundaries. Such plasma boundary geometries occur in tokamaks, when small amplitude magnetic perturbations are used to stabilize the unruly edge plasma or in stellarators, that are inherently 3D plasma confinement devices. In this project, the impact of 3D plasma boundaries on the plasma material interaction (PMI) was assessed. This work focused on plasma boundary conditions, in which high-density conditions at the material surfaces yield mitigation of the otherwise immense heat and particle loads that these materials would see. These so-called high recycling and eventually detached plasma regimes are of great interest for future reactor operation. In the project, key features that are unique to 3D boundaries were explored in comparison to canonically assumed axisymmetric plasma edge situations in tokamaks. In particular, the relevance of the 3D boundary situation in the extrapolation to the plasma boundary solution at ITER, the next step fusion energy experiment under construction as a multi-national, world-wide large-science experiment in southern France, has been explored. The EMC3-EIRENE plasma edge fluid and kinetic neutral transport code has been advanced to cope with the challenging and unprecedented conditions in the ITER boundary plasma including 3D fields that are planned to be used to suppress harmful edge instabilities, the so-called edge localized modes. This is a vital integration challenge for ITER and the results from this grant have provide a leading capability for this assessment. It was shown that the detachment process in a 3D edge solution for ITER follows the recycling regimes that are known from axisymmetric solutions, but that multiple plasma exhaust channels connected to the material surfaces are established which feature individual recycling characteristics. Because these channels touch the material surfaces in the divertor in a 3D geometry, the compatibility with the plasma material interaction (PMI), including erosion and impurity generation has been found to be an important part of the integration challenge. To address this, the fully 3D plasma material interaction code ERO2 has been adapted to these ITER specific geometries and a homogeneous mixing model was implemented, that allows to consider the mixing of Be and Was used at ITER in the PMI modeling. This model enhancement has been used to study non-local migration of Be in the JET ITER like wall configuration and it has been shown that with this model such complex migration processes in ITER relevant plasma shapes and with ITER relevant plasma boundary conditions can be addressed. The combined modeling approach using EMC3-EIRENE as a plasma boundary transport code and the ERO2 specialized PMI model will be an asset for the continued preparations of ITER operation as well as for Fusion Pilot Plant efforts that have emerged in the U.S. during the evolution of this grant. The predictive capability of this numerical tool has been validated at the DIII-D US national fusion facility. Here, dedicated plasma edge diagnostics were implemented to measure the impurity household around a 3D edge plasma during ELM suppression by 3D fields. Dedicated experiments with local material probes using these diagnostics and the state-of-the-art suite of boundary measurements at DIII-D have shown that the 3D perturbation of the plasma edge that is excreted by such 3D control fields yield a perturbation of the plasma boundary flux structure and hence also of the resulting PMI. The 3D boundary plasma is composed out of helical magnetic flux channels that intersect the divertor targets at an angle relative to the main guiding field, i.e., the toroidal magnetic field component of the tokamak. A similar effect has been measured as well on limiter surfaces during the startup campaign at the new stellarator experiment Wendelstein 7-X. These experiments ad initial analysis with the ERO plasma material interaction model, suggested that the place of erosion for a given particle from the surface and its re-deposition can be different in such 3D field geometries yielding potentially a significant level of net-erosion. This is not the case for axisymmetric solutions, where it was shown in the past that the eroded particles are effectively re-deposited into gaps produced by erosion at the same position and hence the net-erosion levels are small. For ITER, the quest to suppress the ELMs and at the same time maintain the integrity of the divertor is an issue, which these fundamental findings will help to resolve. The coupling of this work to the extrapolation in the ITER program has been addressed by both the PI and the lead numerical scientist being ITER Science Fellows in the duration of the contract and forward. A second focus in the exploration of 3D boundary effects on tokamaks and stellarators has been set on the measurement of helium exhaust features with such 3D fields. This is important because He represents the ash of the fusion process and needs to be exhausted. It was shown that 3D field application compatible with suppression of ELMs yields an increase of the helium exhaust performance. The ratio of the effective helium confinement time over the energy confinement time was reduced by almost 50% which demonstrated that the impact of helium accumulation in the plasma core with respect to the confinement of energy to sustain the fusion reaction is significantly improved with such 3D control fields. It was shown that this is the case for tokamaks as well as stellarators. At the Large helical Device in Japan, a similar enhancement of the helium exhaust features when small amplitude additional 3D fields were applied was measured. This is an important additional function of 3D field application and its impact on ITER is presently being studied in combination with investigations of helium exhaust in 3D field geometries of stellarator devices.

3D plasma edge transport↗

DFTT report for Signal Analysis (2023)

The Detection Framework Testbed and Toolkit (DFTT) is a database and associated java programs intended to facilitate the development and testing of algorithms for operating suites of correlation and subspace detectors. This framework is a generalization of the system described in Harris and Dodge (2011) and Dodge and Harris (2016). DFTT allows retrospective processing of sequences of data using various system configurations. Results are saved in a database, so it is easy to compare the results obtained using different configurations of the system. The principal software components of DFTT are the ConfigCreator, the framework_runner and the Builder program. ConfigCreator assembles the files necessary to define a particular configuration used for processing. The framework_runner operates suites of detectors and saves the results in an Oracle™ database. Builder allows visual examination of templates and detected signals and allows editing and creation of detectors. In addition, there are tools for importing continuous data into the database. DFTT is licensed under the MIT license and has LLNL release number LLNL-CODE-801881. In the current fiscal year DFTT has been used in two different projects. The first (NTL-funded) project investigates the feasibility of screening nuisance detections using correlation detectors. The second (GNEM-funded) project seeks to extend the results of Harris and Dodge (2021) to 3- D sources and multiple stations. Each of these efforts required that additional functionality be added to DFTT. In this report I will summarize the enhancements to DFTT in the context of the relevant research effort.

58 GEOSCIENCES↗

Modeling Enhancements and Demonstration of Shift Capabilities for PBRs and MSRs

This technical report documents the modeling enhancements and demonstrations with the Shift Monte Carlo (MC) code targeted at pebble-bed reactors (PBRs) and molten salt reactors (MSRs) under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2023. The work performed included several enhancements, such as improvements for multigroup cross section generation, a new eigenvalue mode considering only prompt fission neutrons, and enhancements to the Titan frontend for Shift to allow for new geometry types and tally functionality. Additionally, new PBR equilibrium core search reference calculations were generated with Shift and compared to Serpent calculations provided by Idaho National Laboratory (INL). These enhancements provide a robust foundation for applying Shift for both reference and two-step neutronics analysis for advanced reactor simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗