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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 19 records

Induced protein expression in Leptospira spp. and its application to CRISPR/Cas9 mutant generation

Abstract Expanding the genetic toolkit for Leptospira spp. is a crucial step toward advancing our understanding of the biology and virulence of these atypical bacteria. Pathogenic Leptospiraare responsible for over 1 million human leptospirosis cases annually and significantly impact domestic animals. Bovine leptospirosis causes substantial financial losses due to abortion, stillbirths, and suboptimal reproductive performance. The advent of the CRISPR/Cas9 system has marked a turning point in genetic manipulation, with applications across multiple Leptospira species. However, incorporating controlled protein expression into existing genetic tools could further expand their utility. We developed and demonstrated the functionality of IPTG-inducible heterologous protein expression in Leptospira spp. This system was applied for regulated expression of dead Cas9 (dCas9) to generate knockdown mutants, and Cas9 to produce knockout mutants by inducing double-strand breaks (DSB) into desired targets. IPTG-induced dCas9 expression enabled validation of essential genes and non-coding RNAs. Additionally, IPTG-controlled Cas9 expression combined with a constitutive non-homologous end-joining (NHEJ) system allowed for successful recovery of knockout mutants, even in the absence of IPTG. These newly controlled protein expression systems will advance studies on the basic biology and virulence ofLeptospira, as well as facilitate knockout mutant generation for improved veterinary vaccines.

Science & Technology - Other Topics↗

Performance Characterization and Provenance of Distributed Task-based Workflows on HPC Platforms

Understanding performance and provenance of task-based workflows poses significant challenges, particularly in distributed configurations where resources are shared by multiple applications. Task-based workflow management systems further complicate performance predictability because of their dynamicity that subtly alters task execution order from run to run. In this paper we propose a layered characterization framework for performance and task provenance for Dask.distributed workflows running on high-performance computing (HPC) platforms. It collects data from jobs, the workflow management system, and the operating system to aid in understanding the performance of these workflows. Our approach encompasses three main contributions: first, an extension of Dask.distributed to capture high-fidelity task provenance using Mochi data services; second, the adaptation of the established HPC I/O characterization tool Darshan to gather high-fidelity I/O data, thereby enhancing the granularity of our analysis; and third, a framework to combine and process the collected data and provide helpful insights into performance characterization and reproducibility, alongside our lessons learned.

Dask↗

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗

A system identification approach for non-intrusive reduced order modeling of radiation-induced photocurrents

In this study, development of compact photocurrent models is currently dominated by analytical techniques that rely on physical assumptions to render the governing equations solvable in a closed form. Violation of these assumptions can reduce the accuracy of the models and/or limit their scope. In this paper we show that system identification of nonlinear state-space systems can serve as an alternative numerical basis for non-intrusive reduced order modeling of photocurrent effects. To that end we develop a compact gray box photocurrent model (GBPM) by using a state-space representation with a low-dimensional latent state equation that mimics a mathematical model for the response of an idealized class of devices to ionizing radiation. In so doing we obtain a model that learns the dynamics of a quantity of interest directly from its measurements without requiring snapshots of the internal device state or its discretized model, and can be inferred from very small data sets. To demonstrate the approach we train the GBPM using a small experimental data set for a Z5236 Zener diode and a small synthetic data set obtained by simulating a synthetic pn-junction device. We then compare the GBPMs with black box models trained on the same data and show that performance of the latter is limited by the size of the data set, while the former are able to achieve excellent performance in both the reproductive and the predictive regimes.

97 MATHEMATICS AND COMPUTING↗

Selecting Appropriate Model Complexity: An Example of Tracer Inversion for Thermal Prediction in Enhanced Geothermal Systems

Abstract A major challenge in the inversion of subsurface parameters is the ill‐posedness issue caused by the inherent subsurface complexities and the generally spatially sparse data. Appropriate simplifications of inversion models are thus necessary to make the inversion process tractable and meanwhile preserve the predictive ability of the inversion results. In this study, we investigate the effect of model complexity on fracture aperture inversion and thermal performance prediction in a field‐scale EGS model. Principal component analysis was used to map the aperture field to a low‐dimensional latent space. The complexity of the inversion model was quantitatively represented by the percentage of total variance in the original aperture fields preserved by the latent space. Tracer, pressure and flow rate data were used to invert for fracture aperture through an ensemble‐based inversion method, and the inferred aperture field was used to predict thermal performance. With an over‐simplified aperture model, ensemble collapse occurred. The inverted aperture models failed to resolve necessary flow and transport features, leading to a biased thermal performance prediction. A complex aperture model involved excessive features and was prone to overinterpreting the inversion data. Both the tracer/pressure/flow rate data reproduction and thermal prediction showed significant uncertainties, making it difficult to properly estimate long‐term thermal performance. Fortunately, our results indicate that there exists an appropriate model complexity which can simultaneously match inversion data and predict thermal performance with an acceptable uncertainty. The quality of the fit of tracer data appears to be a useful indicator of such an appropriate model complexity.

15 GEOTHERMAL ENERGY↗

Motility of Synthetic Cells from Engineered Lipids

Synthetic cells are artificial systems that resemble natural cells. Significant efforts have been made over the years to construct synthetic protocells that can mimic biological mechanisms and perform various complex processes. These include compartmentalization, metabolism, energy supply, communication, and gene reproduction. Cell motility is also of great importance, as nature uses elegant mechanisms for intracellular trafficking, immune response, and embryogenesis. In this review, we discuss the motility of synthetic cells made from lipid vesicles and relevant molecular mechanisms. Synthetic cell motion may be classified into surface-based or solution-based depending on whether it involves interactions with surfaces or movement in fluids. Collective migration behaviors have also been demonstrated. The swarm motion requires additional mechanisms for intercellular signaling and directional motility that enable communication and coordination among the synthetic vesicles. In addition, intracellular trafficking for molecular transport has been reconstituted in minimal cells with the help of DNA nanotechnology. These efforts demonstrate synthetic cells that can move, detect, respond, and interact. Finally, we envision that new developments in protocell motility will enhance our understanding of biological processes and be instrumental in bioengineering and therapeutic applications.

59 BASIC BIOLOGICAL SCIENCES↗

Seven governing principles in biology

In physical science such as physics and chemistry, there are governing principles that are universal and applicable to all relevant systems, including energy conservation, entropy increase, uncertainty principle in quantum mechanics, and chemical equilibrium. However, what are governing principles in biology that are unique to all living systems? After collecting opinions and thoughts from diverse scientists and engineers all over the world, I summarize seven governing principles or laws in biology: central dogma, evolution, biological robustness, regeneration, reproduction, development, and causality. Some of these are not necessarily unique in biological systems from a reductionist’s point of view (e.g., causality), and others are applicable predominantly to eukaryotes (e.g., reproduction and development). Notably, many engineering systems have mimicked biological systems to enhance their performance. In this perspective article, I discuss these principles to better understand the rules of life and help construct improved engineering systems that we can use and control in an ethical, safe, and rational way.

Moon, Tae Seok↗

Benchmarking Monte Carlo codes for the modelling of low-energy neutron production target reactions

The increasing adoption of accelerator-based neutron sources (ABNS) for applications including neutron capture therapy (NCT) research has highlighted the need for accurate simulation tools. Precise modelling of the neutron production target is crucial to ensure that simulated predictions of neutron beam characteristics used for subsequent beam shaping assembly design are reliable. This work presents a comprehensive benchmarking of four widely-used Monte Carlo codes - Geant4, PHITS, FLUKA (CERN), and MCNP - for modelling low-energy neutron production target reactions. Using their recommended physics models and cross-section libraries, we evaluate each code’s performance in simulating four beam-target reactions: 7 Li(p,n) 7 Be, 9 Be(p,n) 9 B, 9 Be(d,n) 10 B, and C(d,n)N. Predictions of neutron yield, angular distributions, and energy spectra are compared against available thick target experimental data. Results show varying levels of agreement between the codes depending on the reaction type, energy range, and beam characteristics. Geant4, MCNP and PHITS are the overall best performing codes for the simulation of total neutron yield and yield in the forward direction across most reactions. Across energies where experimental benchmarks exist, inter-code discrepancies in total and forward-directed yield are typically 10 to 30%, with larger deviations at near-threshold incident ion energies. PHITS provides the best overall reproduction of experimental spectra, particularly for the 9 Be(p,n) 9 B reaction. Additionally, PHITS demonstrates superior computational performance for most reactions. These findings provide valuable guidance for ABNS design, highlighting the strengths and limitations of each code for the simulation of low-energy neutron production reactions.

43 PARTICLE ACCELERATORS↗

Validation of a comprehensive first-principles-based framework for predicting the performance of future stellarators

This paper presents the validation of the GENE-KNOSOS-Tango framework for recovering both the steady-state plasma profiles in the considered radial domain and selected turbulence trends in a stellarator. This framework couples the gyrokinetic turbulence code GENE, the neoclassical transport code KNOSOS, and the transport solver Tango in a multi-timescale simulation feedback loop. Ion-scale kinetic-electron and electron-scale adiabatic-ion flux-tube simulations were performed to evolve the density and temperature profiles for four OP1.2b W7-X scenarios. The simulated density and temperature profiles showed good agreement with the experimental data using a reasonable set of boundary conditions. Equally important was the reproduction of observed trends for several turbulence properties, such as density fluctuations and turbulent heat diffusivities. Key effects were also touched upon, such as electron-scale turbulence and the neoclassical radial electric field shear. The validation of the GENE-KNOSOS-Tango framework enables credible predictions of physical phenomena in stellarators and reactor performance based on a given set of edge parameters.

Gyrokinetic simulations↗

HOLISTIC ENERGY EFFICIENCY ANALYSIS OF ELECTRIFIED OFF-HIGHWAY MATERIAL HANDLER: FROM DRIVE CYCLE CHARACTERIZATION TO POWERTRAIN, HYDRAULIC, AND THERMAL SYSTEM PERFORMANCE

Three complexities surrounding the operation and testing of hybrid electric, heavy-duty nonroad machines have been addressed experimentally and using 1D simulation. Their resolutions have been intertwined with the development of a prototype machine that was proven to reduce fuel consumption in excess of 20%. A real-world drive cycle that leveraged hydraulic cylinder position was developed and utilized to ensure accurate reproduction of hydraulic work between the baseline and hybrid machines, while simultaneously maintaining less than 5% RMS error in position for main load handling functions. The newly developed, machine-specific drive cycle also contributed towards making equivalent comparisons in energy consumption between machine types through composite performance metrics that were extrapolated over a typical shift duration. Lastly, this work addressed thermal management energy consumption, a topic of increasing popularity when discussing electrified vehicles, by proposing a 1.4% energy savings through special mechanization and control of cooling system components.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High-shade dryland agrivoltaic conditions enhanced carbon uptake and water-use efficiency in zucchini ( Cucurbita pepo )

Introduction: The increasing global demand for food and energy is intensifying land-use competition. Agrivoltaic systems are a multifunctional land-use approach that vertically integrates the production of agricultural crops and solar power on the same land area. Most food crops are adapted to full-sun conditions, and the physiological responses of these crops to the novel microclimate under solar panels remain poorly understood. We hypothesized that the microclimate beneath the high-density photovoltaic system would influence carbon uptake, water use, and yield outcomes of zucchini summer squash.Methods: We conducted a field experiment in a hot, semi-arid climate on zucchini (Cucurbita pepo). Plants were grown under an agrivoltaic system with a 75% ground cover ratio (GCR) and in a full-sun control plot, each with two irrigation regimes (100 and 50%). We measured leaf-level photosynthesis, microclimate variables, and fruit yield at plant maturity and throughout the growing season.Results: The agrivoltaic array reduced photosynthetically active radiation (PAR) by ~79%, resulting in a cooler (−1.1 °C), more humid environment with higher soil moisture. These microclimatic conditions enhanced midday photosynthesis and daily cumulative carbon uptake. However, fruit yield was consistently lower under the panels, indicating a shift in carbon allocation toward vegetative growth. Photosynthesis was primarily driven by PAR across treatments, while soil moisture significantly influenced photosynthesis only in the control plots, suggesting water limitation was alleviated under the panels.Discussion: These findings highlight a trade-off between improved physiological performance and reduced yield under high-density agrivoltaics. While the system buffered heat and drought stress and improved overall plant function, excessive shade reduced reproductive output. Optimizing panel density or selecting crops cultivated for non-fruit yields will be essential for balancing food production and energy generation in dryland agrivoltaic settings.

14 SOLAR ENERGY↗

Hard-photon-triggered jets in 𝑝−𝑝 and 𝐴−𝐴 collisions

An investigation of high-transverse-momentum (high-𝑝 𝑇 ) photon-triggered jets in proton-proton (𝑝−𝑝) and ion-ion (𝐴−𝐴) collisions at $\sqrt{s_{NN}}$=0.2 and 5.02TeV is carried out, using the multistage description of in-medium jet evolution. Monte Carlo simulations of hard scattering and energy loss in heavy-ion collisions are performed using parameters tuned in a previous study of the nuclear modification factor (𝑅 𝐴⁢𝐴 ) for inclusive jets and high-𝑝𝑇 hadrons. We obtain a good reproduction of the experimental data for photon-triggered jet 𝑅 𝐴⁢𝐴 , as measured by the ATLAS detector, the distribution of the ratio of jet to photon 𝑝 𝑇 (𝑋 𝐽⁢𝛾 ), measured by both CMS and ATLAS, and the photon-jet azimuthal correlation as measured by CMS. We obtain a moderate description of the photon-triggered jet 𝐼 𝐴⁢𝐴 , as measured by STAR. A noticeable improvement in the comparison is observed when one goes beyond prompt photons and includes bremsstrahlung and decay photons, revealing their significance in certain kinematic regions, particularly at 𝑋 𝐽⁢𝛾 >1. Moreover, azimuthal angle correlations demonstrate a notable impact of bremsstrahlung photons on the distribution, emphasizing their role in accurately describing experimental results. This work highlights the success of the multistage model of jet modification to straightforwardly predict (this set of) photon-triggered jet observables. This comparison, along with the role played by bremsstrahlung photons, has important consequences on the inclusion of such observables in a future Bayesian analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Machine learning based unfolding of x-ray spectra from filter stack spectrometer data

We demonstrate the application of neural networks to perform x-ray spectra unfolding from data collected by filter stack spectrometers. A filter stack spectrometer consists of a series of filter-detector pairs, where the detectors behind each filter measure the energy deposition through each layer as photo-stimulated luminescence (PSL). The network is trained on synthetic data, assuming x-rays of energies < 1 MeV and of two different distribution functions (Maxwellian and Gaussian) and the corresponding measured PSL values obtained from five different filter stack spectrometer designs. Predicted unfolds of single distributions are near identical reproductions of the ground truth spectra, with differences in the values lower than 20% at the higher energy end in some cases. The neural network has also demonstrated robustness to experimental measurement errors of < 5% and some capability of performing unfolds for linear combinations of the two distributions without previous training. The network can perform unfolds at rates > 1 Hz, ideal for application to some high-repetition-rate systems.

47 OTHER INSTRUMENTATION↗

Enhancing climate-smart crop performance in arid agrivoltaics systems: effects of photovoltaic shading and soil amendments on tepary bean growth, yield, and associated soil microbiome

As climate change expands the world’s arid and semiarid regions, sustainable systems that integrate food and energy production are becoming increasingly critical. Agrivoltaics—co-locating crops with photovoltaic (PV) panels—offers a dual land-use strategy that mitigates environmental stress by shading crops, conserving soil moisture, and enhancing PV efficiency. While climate-smart crops like the tepary bean ( Phaseolus acutifolius ) are well adapted to heat and drought, little is known about how these crops and their associated soil microbiomes respond to the unique microclimates created by PV shading. This study evaluated tepary bean performance and plant–microbial interactions under PV-shade vs. no shade across three soil amendment treatments at two experimental sites. We assessed plant traits including germination, phenology, biomass, height, as well as yield and bean morphology, alongside shifts in soil microbial composition and functional potential. Plants grown under PV-shade were generally taller, with extended reproductive periods and higher yields: 42% of shaded plants produced beans compared to only 8% under full sun. Shaded plants also produced rounder, higher-quality beans, whereas non-shaded plants yielded flatter, less developed beans. Microbial community composition was more strongly influenced by amendment and site conditions than by shading alone. Key microbial taxa (e.g., Glomeromycetes, Desulfobacterota ) and predicted functions (e.g., denitrification, nitrogen-respiration, sulfate reduction) were associated with differences in plant performance. Finally, combining agrivoltaic systems with targeted soil amendments can enhance crop yield and soil microbial functionality—offering a promising strategy for sustainable agriculture in arid landscapes.

14 SOLAR ENERGY↗

Using AI to Reproduce Neutrino Cross Section Analysis - Prototyping the Neutrino Discovery Platform

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗

Toward the Neutrino Discovery Platform: An Auditable, Uncertainty-Bearing Toolchain for MINERvA Open-Data Cross-Section Analysis

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗

Audible enclaves crafted by nonlinear self-bending ultrasonic beams

Delivering audible content to a targeted listener without disturbing others is paramount in audio engineering. However, achieving this goal has long been challenging due to the diffraction of low-frequency (long-wavelength) audio waves in linear acoustics. Here, we introduce an approach for creating remote audio spots, dubbed audible enclaves, by harnessing the local nonlinear interaction of two self-bending ultrasonic beams with distinct spectra. The self-bending ultrasonic beams created by acoustic metasurfaces, though inaudible, can bypass obstacles such as human heads. At their intersection behind obstacles, highly localized audible enclaves are formed due to the local nonlinear interactions. Additionally, we demonstrate the ultrabroadband capabilities of our metasurface-based implementation both numerically and experimentally, spanning from 125 Hz to 4 kHz (6 octave bands), covering the majority of the audible frequency range. The practicality of our proposed technique is underscored by its compact implementation size (0.16 m, equivalent to 0.06 wavelengths at 125 Hz), as well as its robust performance under wideband transient audio signal excitation and in a common room with reverberations. Our proposed audible enclaves hold significant potential for various applications in advanced audio engineering, including private speech communications, immersive spatial audio reproduction, and high-resolution sound/quiet zone control.

Science & Technology - Other Topics↗

AlgaeOrtho, a bioinformatics tool for processing ortholog inference results in algae

Introduction: Microalgae constitute a prominent feedstock for producing biofuels and biochemicals by virtue of their prolific reproduction, high bioproduct accumulation, and the ability to grow in brackish and saline water. However, naturally occurring wild type algal strains are rarely optimal for industrial use; therefore, bioengineering of algae is necessary to generate superior performing strains that can address production challenges in industrial settings, particularly the bioenergy and bioproduct sectors. One of the crucial steps in this process is deciding on a bioengineering target: namely, which gene/protein to differentially express. These targets are often orthologs which are defined as genes/proteins originating from a common ancestor in divergent species. Although bioinformatics tools for the identification of protein orthologs already exist, processing the output from such tools is nontrivial, especially for a researcher with little or no bioinformatics experience. Methods: The present study introduces AlgaeOrtho, a user-friendly tool that builds upon the SonicParanoid orthology inference tool (based on an algorithm that identifies potential protein orthologs based on amino acid sequences) and the PhycoCosm database from JGI (Joint Genome Institute) to help researchers identify orthologs of their proteins of interest in multiple diverse algal species. Results: The output of this application includes a table of the putative orthologs of their protein of interest, a heatmap showing sequence similarity (%), and an unrooted tree of the putative protein orthologs. Notably, the tool would be instrumental in identifying novel bioengineering targets in different algal strains, including targets in not-fully annotated algal species, since it does not depend on existing protein annotations. We tested AlgaeOrtho using three case studies, for which orthologs of proteins relevant to bioengineering targets, were identified from diverse algal species, demonstrating its ease of use and utility for bioengineering researchers. Discussion: This tool is unique in the protein ortholog identification space as it can visualize putative orthologs, as desired by the user, across several algal species.

09 BIOMASS FUELS↗