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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 415 records · Page 23

Peptide-mimetic treatment of Pseudomonas aeruginosa in a mouse model of respiratory infection

The rise of drug resistance has become a global crisis, with >1 million deaths due to resistant bacterial infections each year. Pseudomonas aeruginosa, in particular, remains a serious problem with limited solutions due to complex resistance mechanisms that now lead to more than 32,000 multidrug-resistant (MDR) infections and over 2000 deaths in the U.S. annually. While the emergence of resistant bacteria has become ominously common, identification of useful new drug classes has been limited over the past over 40 years. We found that a potential novel therapeutic, the peptide-mimetic TM5, is effective at killing P. aeruginosa and displays sufficiently low toxicity in mammalian cells to allow for use in treatment of infections. Interestingly, TM5 kills P. aeruginosa more rapidly than traditional antibiotics, within 30–60 min in vitro, and is effective against a range of clinical isolates, including extensively drug resistant strains. In vivo, TM5 significantly reduced bacterial load in the lungs within 24 h compared to untreated mice and demonstrated few adverse effects. Taken together, these observations suggest that TM5 shows promise as an alternative therapy for MDR P. aeruginosa respiratory infections.

59 BASIC BIOLOGICAL SCIENCES↗

OC6 project Phase III: validation of the aerodynamic loading on a wind turbine rotor undergoing large motion caused by a floating support structure

Abstract. This paper provides a summary of the work done within Phase III of the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) project, under the International Energy Agency Wind Technology Collaboration Programme Task 30. This phase focused on validating the aerodynamic loading on a wind turbine rotor undergoing large motion caused by a floating support structure. Numerical models of the Technical University of Denmark 10 MW reference wind turbine were validated using measurement data from a 1:75 scale test performed during the UNsteady Aerodynamics for FLOating Wind (UNAFLOW) project and a follow-on experimental campaign, both performed at the Politecnico di Milano wind tunnel. Validation of the models was performed by comparing the loads for steady (fixed platform) and unsteady (harmonic motion of the platform) wind conditions. For the unsteady wind conditions, the platform was forced to oscillate in the surge and pitch directions under several frequencies and amplitudes. These oscillations result in a wind variation that impacts the rotor loads (e.g., thrust and torque). For the conditions studied in these tests, the system aerodynamic response was almost steady. Only a small hysteresis in airfoil performance undergoing angle of attack variations in attached flow was observed. During the experiments, the rotor speed and blade pitch angle were held constant. However, in real wind turbine operating conditions, the surge and pitch variations would result in rotor speed variations and/or blade pitch actuations, depending on the wind turbine controller region that the system is operating. Additional simulations with these control parameters were conducted to verify the fidelity of different models. Participant results showed, in general, a good agreement with the experimental measurements and the need to account for dynamic inflow when there are changes in the flow conditions due to the rotor speed variations or blade pitch actuations in response to surge and pitch motion. Numerical models not accounting for dynamic inflow effects predicted rotor loads that were 9 % lower in amplitude during rotor speed variations and 18 % higher in amplitude during blade pitch actuations.

17 WIND ENERGY↗

TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations

The encapsulation and commoditization of electronic structure arise naturally as interoperability, and the use of nontraditional compute resources (e.g., new hardware accelerators, cloud computing) remains important for the computational chemistry community. Here, we present TERACHEM CLOUD, a high-performance computing service (HPCS) that offers on-demand electronic structure calculations on both traditional HPC clusters and cloud-based hardware. The framework is designed using off-the-shelf web technologies and containerization to be extremely scalable and portable. Within the HPCS model, users can quickly develop new methods and algorithms in an interactive environment on their laptop while allowing TERACHEM CLOUD to distribute ab initio calculations across all available resources. This approach greatly increases the accessibility of hardware accelerators such as graphics processing units (GPUs) and flexibility for the development of new methods as additional electronic structure packages are integrated into the framework as alternative backends. Cost-performance analysis indicates that traditional nodes are the most cost-effective long-term solution, but commercial cloud providers offer cutting-edge hardware with competitive rates for short-term large-scale calculations. We demonstrate the power of the TERACHEM CLOUD framework by carrying out several showcase calculations, including the generation of 300,000 density functional theory energy and gradient evaluations on medium-sized organic molecules and reproducing 300 fs of nonadiabatic dynamics on the B800-B850 antenna complex in LH2, with the latter demonstration using over 50 Tesla V100 GPUs in a commercial cloud environment in 8 h for approximately $1250.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydraulically‐vulnerable trees survive on deep‐water access during droughts in a tropical forest

Summary Deep‐water access is arguably the most effective, but under‐studied, mechanism that plants employ to survive during drought. Vulnerability to embolism and hydraulic safety margins can predict mortality risk at given levels of dehydration, but deep‐water access may delay plant dehydration. Here, we tested the role of deep‐water access in enabling survival within a diverse tropical forest community in Panama using a novel data‐model approach. We inversely estimated the effective rooting depth (ERD, as the average depth of water extraction), for 29 canopy species by linking diameter growth dynamics (1990–2015) to vapor pressure deficit, water potentials in the whole‐soil column, and leaf hydraulic vulnerability curves. We validated ERD estimates against existing isotopic data of potential water‐access depths. Across species, deeper ERD was associated with higher maximum stem hydraulic conductivity, greater vulnerability to xylem embolism, narrower safety margins, and lower mortality rates during extreme droughts over 35 years (1981–2015) among evergreen species. Species exposure to water stress declined with deeper ERD indicating that trees compensate for water stress‐related mortality risk through deep‐water access. The role of deep‐water access in mitigating mortality of hydraulically‐vulnerable trees has important implications for our predictive understanding of forest dynamics under current and future climates.

54 ENVIRONMENTAL SCIENCES↗

Deep Underground Neutrino Experiment (DUNE) Near Detector Conceptual Design Report

The Deep Underground Neutrino Experiment (DUNE) is an international, world-class experiment aimed at exploring fundamental questions about the universe that are at the forefront of astrophysics and particle physics research. DUNE will study questions pertaining to the preponderance of matter over antimatter in the early universe, the dynamics of supernovae, the subtleties of neutrino interaction physics, and a number of beyond the Standard Model topics accessible in a powerful neutrino beam. A critical component of the DUNE physics program involves the study of changes in a powerful beam of neutrinos, i.e., neutrino oscillations, as the neutrinos propagate a long distance. The experiment consists of a near detector, sited close to the source of the beam, and a far detector, sited along the beam at a large distance. This document, the DUNE Near Detector Conceptual Design Report (CDR), describes the design of the DUNE near detector and the science program that drives the design and technology choices. The goals and requirements underlying the design, along with projected performance are given. It serves as a starting point for a more detailed design that will be described in future documents.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Influence of Grafting Density and the Ionic Environment on the Structure of Zwitterionic Brushes

Zwitterionic polymer brushes possess a high potential for applications as surface coatings, e.g., in antifouling applications. Their complex association behavior due to the coexistence of oppositely charged groups on the same monomeric unit allows for a broad variation of polarity, hydrophilicity, and the antipolyelectrolyte effect with the variation of the surrounding environment. In this study, planar polysulfobetaine brushes were investigated with neutron reflectometry (NR) and neutron spin–echo spectroscopy under grazing incidence (GINSES) to explore the brush structure and its inner dynamics perpendicular to the substrate. In particular, the effects of the substrate–initiator system and ionic strength on the structure were investigated with neutron reflectometry and a swelling by a factor of 3–5 was found in the presence of aqueous NaCl and MgCl 2 solutions compared to the dry state. During the data analysis, the applicability of a model-free evaluation was also demonstrated for the investigated polysulfobetaine brushes. Furthermore, it was found with GINSES that in contrast to neutral brushes, these polysulfobetaine brushes do not show the typical concentration fluctuations in the nanosecond time range when partially swollen with salt-free water.

36 MATERIALS SCIENCE↗

Informing Nature-based Climate Solutions for the United States with the best-available science

Nature-based Climate Solutions (NbCS) are managed alterations to ecosystems designed to increase carbon sequestration or reduce greenhouse gas emissions. While they have growing public and private support, the realizable benefits and unintended consequences of NbCS are not well understood. At regional scales where policy decisions are often made, NbCS benefits are estimated from soil and tree survey data that can miss important carbon sources and sinks within an ecosystem, and do not reveal the biophysical impacts of NbCS for local water and energy cycles. The only direct observations of ecosystem-scale carbon fluxes, for example, by eddy covariance flux towers, have not yet been systematically assessed for what they can tell us about NbCS potentials, and state-of-the-art remote sensing products and land-surface models are not yet being widely used to inform NbCS policymaking or implementation. As a result, there is a critical mismatch between the point- and tree-scale data most often used to assess NbCS benefits and impacts, the ecosystem and landscape scales where NbCS projects are implemented, and the regional to continental scales most relevant to policymaking. Here, we propose a research agenda to confront these gaps using data and tools that have long been used to understand the mechanisms driving ecosystem carbon and energy cycling, but have not yet been widely applied to NbCS. Furthermore, we outline steps for creating robust NbCS assessments at both local to regional scales that are informed by ecosystem-scale observations, and which consider concurrent biophysical impacts, future climate feedbacks, and the need for equitable and inclusive NbCS implementation strategies. We contend that these research goals can largely be accomplished by shifting the scales at which pre-existing tools are applied and blended together, although we also highlight some opportunities for more radical shifts in approach.

54 ENVIRONMENTAL SCIENCES↗

Use of X-Ray Fluorescence Microscopy for Studies on Research Models of Hepatocellular Carcinoma

Introduction: TheraSphere ® microspheres containing yttrium 90 Y are among many radioembolization agents used clinically to reduce liver tumor burden, and their effects on cancer volume reduction are well-established. At the same time, concerns about off target tissue injury often limit their use. Deeper investigation into tissue distribution and long-term impact of these microspheres could inform us about additional ways to use them in practice. Methods: Healthy rat liver and rabbit liver tumor samples from animals treated with TheraSpheres were sectioned and their elemental maps were generated by X-ray fluorescence microscopy (XFM) at the Advanced Photon Source (APS) synchrotron at Argonne National Laboratory (ANL). Results: Elemental imaging allowed us to identify the presence and distribution of TheraSpheres in animal tissues without the need for additional sample manipulation or staining. Ionizing radiation produced by 90 Y radioactive contaminants present in these microspheres makes processing TheraSphere treated samples complex. Accumulation of microspheres in macrophages was observed. Conclusions: This is the first study that used XFM to evaluate the location of microspheres and radionuclides in animal liver and tumor samples introduced through radioembolization. XFM has shown promise in expanding our understanding of radioembolization and could be used for investigation of human patient samples in the future.

60 APPLIED LIFE SCIENCES↗

Soil Water Potentials (1990-2018) from a calibrated ELM-FATES, and rooting depth analyses scripts, PA-BCI, Panama

This dataset has ELM-FATES simulation outputs and scripts that accompany and reproduce the manuscript, Chitra-Tarak et al. (2021) Hydraulically-vulnerable trees survive on deep-water access during droughts in a tropical forest. New Phytologist. https: //doi.org/10.1111/nph.17464”. This dataset is organized into four parts: (1) source code for the model, Energy Exascale Earth System Land Model-Functionally Assembled Advanced Terrestrial simulator (ELM-FATES) (2) R scripts associated with ELM-FATES simulations: to prepare files for parameter ensemble simulation runs, calibrate the model with observed hydrological fluxes observed at BCI, re-run the model with tuned parameters and obtain long-term soil matric potentials by depth (3) ELM-FATES hydrological simulation outputs at PA-BCI, Panama (1990-2018, daily), and (4) R scripts for inverse rooting depth modeling and post-processing: prepare datasets and inversely model tree rooting depths at BCI, test hypotheses about the relationship of rooting depths with plant hydraulic traits and drought-induced mortality, and reproduce the manuscript itself. n.b. 1. Data needed to run R scripts in (2) and (4) and thus to reproduce the manuscript are sourced from various public datasets. Refer to the data availability section of the accompanying manuscript. 2. This dataset version (prepared on May 12, 2021) matches the revised and published version of the accompanying manuscript (published May 16, 2021) replacing a previous version. In the publication, this dataset is cited as follows: Chitra-Tarak R, Xu C, Aguilar S, Anderson-Teixeira K, Chambers J, Detto M, Faybishenko B, Fisher R, Knox R, Koven C et al. 2020. Soil water potentials (1990–2018) from a calibrated ELM-FATES, and rooting depth analyses scripts, PA-BCI, Panama. 2.0. NGEE Tropics Data Collection. doi: 10.15486/ngt/1696806

54 ENVIRONMENTAL SCIENCES↗

Modeling and Proof-of-Concept of a Blackbody-Based Calibration Method in the InfraBREAD Detector

The Broadband Reflector Experiment for Axion Detection (BREAD) is an ongoing collaboration searching for the conversion of yet undiscovered axion-like dark matter particles to photons in the presence of a magnetic field. InfraBREAD, a pilot experiment realization of BREAD, uses a superconducting nanowire single photon detector (SNSPD), a high-efficiency and low-noise device, to specifically detect infrared-range photons produced by $\mathcal{O}$(eV) axion-like particles. The unique BREAD coaxial reflector setup allows for the focusing of converted signal photons to a 1mm $\times$ 1mm SNSPD. However, when the detector is cooled to cryogenic temperatures during operation, uneven thermal contraction of reflector components may lead to a small shift in the location of the focal spot. A novel calibration method using blackbody radiation is proposed to locate the true focal spot of the detector \textit{in situ}. Through ray tracing simulations done in FRED Optical Engineering Software, this method is demonstrated to locate the focus to within $\SI{50}{\micro\metre}$ in the axial dimension. Additionally, it is demonstrated that the blackbody photon source used in this calibration must be at a temperature of at least $\SI{15}{\kelvin}$ to $\SI{40}{\kelvin}$, depending on the sensitivity of the SNSPD.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

OC6 Phase Ib: Validation of the CFD predictions of difference-frequency wave excitation on a FOWT semisubmersible

During the previous OC5 11 project, state-of-the-art mid-fidelity engineering tools for floating wind systems were found to consistently underpredict the nonlinear, low-frequency responses of semisubmersible offshore wind platforms, leading to substantial errors in the structural loads because of low-frequency surge and pitch resonance. To examine this underprediction, a coordinated investigation with computational fluid dynamics (CFD) simulations and model-basin experiments was carried out. Both investigations involved a fixed and simplified OC5-DeepCwind semisubmersible in bichromatic waves. The wave excitations - especially the nonlinear, difference-frequency excitation - on the structure from the CFD simulations were compared to the experimental measurements for validation, with uncertainty analyses for both the experimental and the CFD results. Furthermore, the wave excitations on each column of the semisubmersible were measured separately in the experiment, allowing the validation of the CFD results to be done on a per-column basis. Overall, the CFD predictions of the difference-frequency excitations agree with the experimental measurements, suggesting the CFD solutions can be used as a reference for tuning and improving the engineering-level tools and can provide a means to better understand the underprediction at low frequencies.

16 TIDAL AND WAVE POWER↗

Report of the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

Scientific computing is undergoing rapid transformation as advances in artificial intelligence, heterogeneous computing, automation, and data-intensive research reshape not only computational tools but also the institutions, workforce models, and collaborative practices that support scientific discovery. This report synthesizes insights from the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing, the second in a three-year series focused on strengthening scientific computing ecosystems through socio-technical co-design. Workshop discussions identified four interdependent strategic themes: software ecosystems for AI-enabled scientific discovery; trust, validation, and traceability; human-AI teaming and paradigm shifts; and workforce, pedagogy, and governance. The report translates these themes into eight priorities for community action spanning shared research infrastructure, trust and traceability, user experience, human-AI teaming, workforce development, cross-sector coordination, stewardship and sustainability, and evaluation of scientific value. Together, these priorities outline directions for building scientific computing ecosystems that remain trustworthy, sustainable, innovative, and resilient as AI assumes a growing role in scientific work.

AI↗

Amyloid-like amelogenin nanoribbons template mineralization via a low-energy interface of ion binding sites

Protein scaffolds direct the organization of amorphous precursors that transform into mineralized tissues, but the templating mechanism remains elusive. Motivated by models for the biomineralization of tooth enamel, wherein amyloid-like amelogenin nanoribbons guide the mineralization of apatite filaments, we investigated the impact of nanoribbon structure, sequence, and chemistry on amorphous calcium phosphate (ACP) nucleation. Using full-length human amelogenin and peptide analogs with an amyloid-like domain, films of β-sheet nanoribbons were self-assembled on graphite and characterized by in situ atomic force microscopy and molecular dynamics simulations. All sequences substantially reduce nucleation barriers for ACP by creating low-energy interfaces, while phosphoserines along the length of the nanoribbons dramatically enhance kinetic factors associated with ion binding. Furthermore, the distribution of negatively charged residues along the nanoribbons presents a potential match to the Ca–Ca distances of the multi-ion complexes that constitute ACP. These findings show that amyloid-like amelogenin nanoribbons provide potent scaffolds for ACP mineralization by presenting energetically and stereochemically favorable templates of calcium phosphate ion binding and suggest enhanced surface wetting toward calcium phosphates in general.

59 BASIC BIOLOGICAL SCIENCES↗

NSTX-U theory, modeling and analysis results

Here, the mission of the low aspect ratio spherical tokamak NSTX-U is to advance the physics basis and technical solutions required for optimizing the configuration of next-step steady-state tokamak fusion devices. NSTX-U will ultimately operate at up to 2 MA of plasma current and 1 T toroidal field on axis for 5 s, and has available up to 15 MW of neutral beam injection power at different tangency radii and 6 MW of high harmonic fast wave heating. With these capabilities NSTX-U will develop the physics understanding and control tools to ramp-up and sustain high performance fully non-inductive plasmas with large bootstrap fraction and enhanced confinement enabled via the low aspect ratio, high beta configuration. With its unique capabilities, NSTX-U research also supports ITER and other critical fusion development needs. Super-Alfvénic ions in beam-heated NSTX-U plasmas access energetic particle (EP) parameter space that is relevant for both α-heated conventional and low aspect ratio burning plasmas. NSTX-U can also generate very large target heat fluxes to test conventional and innovative plasma exhaust and plasma facing component solutions. This paper summarizes recent analysis, theory and modelling progress to advance the tokamak physics basis in the areas of macrostability and 3D fields, EP stability and fast ion transport, thermal transport and pedestal structure, boundary and plasma material interaction, RF heating, scenario optimization and real-time control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Search for inelastic boosted dark matter with the ICARUS detector at the Gran Sasso Underground National Laboratory

We present the result of a search for inelastic boosted dark matter using the data corresponding to an exposure of 0.13 kton · year , collected by the ICARUS T-600 detector during its 2012–2013 operational period at the INFN Gran Sasso Underground National Laboratory. The benchmark boosted dark matter model features a multiparticle dark sector with a U ( 1 ) ′ gauge boson, the dark photon. The kinetic mixing of the dark photon with the Standard Model photon allows for a portal between the dark sector and the visible sector. The inelastic boosted dark matter interaction occurs when a dark matter particle inelastically scatters with an electron in the ICARUS detector, producing an outgoing, heavier dark sector state which subsequently decays back down to the dark matter particle, emitting a dark photon. The dark photon subsequently couples to a Standard Model photon through kinetic mixing. The Standard Model photon then converts to an electron-positron pair in the detector. This interaction process provides a distinct experimental signature that consists of a recoil electron from the primary interaction and an associated electron-positron pair from the secondary vertex. After analyzing 4,134 triggered events, the search results in zero observed events. Exclusion limits are set in the dark photon mass and coupling ( m X , ε ) parameter space for several selected optimal boosted dark matter mass sets and cover previously unexplored parameter space. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the subject of large-scale pool fires and turbulent boundary layer interactions

The role to which a realistic inflow turbulent boundary layer (TBL) influences transient and mean large-scale pool fire quantities of interest (QoIs) is numerically investigated. High-fidelity, low-Mach large-eddy simulations that activate low-dissipation, unstructured numerics are conducted using an unsteady flamelet combustion modeling approach with mutiphysics coupling to soot and participating media radiation transport. Three inlet profile configurations are exercised for a large-scale, high-aspect rectangular pool that is oriented perpendicular to the flow direction: a time-varying, TBL inflow profile obtained from a periodic precursor simulation, the time-mean of the transient TBL, and a steady power-law inflow profile that replicates the mean TBL crosswind velocity of 10.0 m/s at a vertical height of 10 m. Results include both qualitative transient flame evolution and quantitative flame shape with ground-level temperature and convective/radiative heat flux profiles. While transient fire events, which are driven by burst-sweep TBL coupling, such as blow-off and reattachment are vastly different in the TBL case (contributing to increased root mean square QoI fluctuation prediction and disparate flame lengths), mean surface QoI magnitudes are similar. Quadrant analysis demonstrates that the TBL configuration modifies burst-sweep phenomena at windward pool locations, while leeward recovery is found. In conclusion, positive fluctuations of convective heat flux correlate with fast moving fluid away from the pool surface due to intermittent combustion events.

97 MATHEMATICS AND COMPUTING↗

Quantum Computing for High-Energy Physics: State of the Art and Challenges

Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage—namely, a significant (in some cases exponential) speedup of numerical simulations. The rapid development of hardware devices with various realizations of qubits enables the execution of small-scale but representative applications on quantum computers. In particular, the high-energy physics community plays a pivotal role in accessing the power of quantum computing, since the field is a driving source for challenging computational problems. This concerns, on the theoretical side, the exploration of models that are very hard or even impossible to address with classical techniques and, on the experimental side, the enormous data challenge of newly emerging experiments, such as the upgrade of the Large Hadron Collider. In this Roadmap paper, led by CERN, DESY, and IBM, we provide the status of high-energy physics quantum computations and give examples of theoretical and experimental target benchmark applications, which can be addressed in the near future. Having in mind hardware with about 100 qubits capable of executing several thousand two-qubit gates, where possible, we also provide resource estimates for the examples given using error-mitigated quantum computing. The ultimate declared goal of this task force is therefore to trigger further research in the high-energy physics community to develop interesting use cases for demonstrations on near-term quantum computers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Volume III. DUNE far detector technical coordination

The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Experiment (DUNE) is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. Volume III of this TDR describes how the activities required to design, construct, fabricate, install, and commission the DUNE far detector modules are organized and managed. This volume details the organizational structures that will carry out and/or oversee the planned far detector activities safely, successfully, on time, and on budget. It presents overviews of the facilities, supporting infrastructure, and detectors for context, and it outlines the project-related functions and methodologies used by the DUNE technical coordination organization, focusing on the areas of integration engineering, technical reviews, quality assurance and control, and safety oversight. Because of its more advanced stage of development, functional examples presented in this volume focus primarily on the single-phase (SP) detector module.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗