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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Milestone in predicting core plasma turbulence: successful multi-channel validation of the gyrokinetic code GENE

On the basis of several recent breakthroughs in fusion research, many activities have been launched around the world to develop fusion power plants on the fastest possible time scale. In this context, high-fidelity simulations of the plasma behavior on large supercomputers provide one of the main pathways to accelerating progress by guiding crucial design decisions. When it comes to determining the energy confinement time of a magnetic confinement fusion device, which is a key quantity of interest, gyrokinetic turbulence simulations are considered the approach of choice – but the question, whether they are really able to reliably predict the plasma behavior is still open. The present study addresses this important issue by means of careful comparisons between state-of-the-art gyrokinetic turbulence simulations with the GENE code and experimental observations in the ASDEX Upgrade tokamak for an unprecedented number of simultaneous plasma observables.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Theory uncertainties of the irreducible background to VBF Higgs production

Higgs boson production through gluon fusion in association with two jets is an irreducible background to Higgs boson production through vector boson fusion, one of the most important channels for analyzing and understanding the Higgs boson properties at the Large Hadron Collider. Despite a range of available simulation tools, precise predictions for the corresponding final states are notoriously hard to achieve. Using state-of-the-art fixed-order calculations as the baseline for a comparison, we perform a detailed study of similarities and differences in existing event generators. We provide consistent setups for the simulations that can be used to obtain identical parametric precision in various programs used by experiments. We find that NLO calculations for the two-jet final state are essential to achieve reliable predictions.

Chen, Xuan [Shandong U.] (ORCID:0000000167722196)↗
DOE OSTI2025

High-heat transfer lithium-ion batteries: A new era in battery thermal management

Despite advances in lithium-ion battery technology, critical challenges remain that must be addressed to accelerate electric vehicle (EV) adoption and global energy transformation. Significantly improved battery thermal management (BTM) is key to overcoming these challenges. BTM approaches focus on increasing heat transfer coefficients via air, liquid, or refrigerant cooling, but less attention is given to reducing the battery's thermal resistance, a major bottleneck for heat transfer. This work introduces a novel approach to reduce battery thermal resistance by integrating in-plane heat transfer with optimized cell geometry, minimized thermal resistances, and reduced interfacial resistances, representing a departure from previous methods. The standard prismatic can cell incorporating this technology is referred to as the high heat transfer (HHT) battery. An equivalent resistance battery thermal model is developed for speed and accuracy, validated against experimental data in the literature, demonstrating strong correlation and ensuring reliable predictions for real-world performance. Thermal performance metrics of the conventional and HHT batteries are compared using a parametric study with air, liquid, and refrigerant boundary conditions across a range of aspect ratios. The HHT battery shows a heat removal rate up to 20 times higher than a conventional battery. These findings suggest that HHT technology could be transformative for EV battery performance, enabling fast charging, mitigating thermal runaway, extending battery life, reducing cold-weather power loss, increasing reliability, lowering costs, and enabling higher energy density, all critical for EV adoption and energy transformation. Future work will focus on prototyping and real-world testing to refine these findings for commercial-scale applications.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Boundary-Layer Transition Prediction Through Loose Coupling of OVERFLOW and LASTRAC

Transition prediction based on linear stability theory is expected to more accurately reflect the causality of transition onset than phenomenological transition models based on RANS-like transport equations. To help achieve the CFD vision 2030 aim of building a CFD tool chain with automated prediction of boundary layer transition, a technique to loosely tie the NASA OVERFLOW CFD solver with the LASTRAC stability analysis tool is described. The coupled solver is then used to compute transition over selected over a flat plate in a freestream with sufficiently low levels of turbulence, NLF(1)-0416 airfoil, the 6:1 prolate spheroid at an angle of attack, and a NASA juncture flow model with symmetric wing configuration. The findings show that the loosely coupled approach can reliably predict the transition location accurately in scenarios that are dominated by a single transition mechanism involving Tollmien-Schlichting instabilities, crossflow instabilities, or separation bubble-induced transition, or include a mixture of selected mechanisms. The toolset presents here appears to be robust to the prescription of the initial transition location, and it can lead to a converged solution in four or five rounds of the mean flow calculation and stability analysis, with minimal input from the user.

boundary layer transition↗
DOE OSTI2026

Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications

This study presents a physics-informed neural network (PINN) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of cAhemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.

42 ENGINEERING↗
NASA NTRS2019

Global Evolution of Solar Magnetic Fields and Prediction of Solar Activity Cycles

Prediction of solar activity cycles is challenging because the physical processes inside the Sun involve a broad range of multiscale dynamics that no model can reproduce, and the available observations are highly limited and cover mostly surface layers. Helioseismology makes it possible to probe solar dynamics in the convective zone, but variations in the differential rotation and meridional circulation are currently available for only two solar activity cycles. It has been demonstrated that sunspot observations, which cover over 400 years, can be used to calibrate the Parker-Kleeorin-Ruzmaikin model and that the Ensemble Kalman Filter (EnKF) method can be used to link the model magnetic fields to sunspot observations to make reliable predictions of a following cycle. However, for more accurate predictions, it is necessary to use actual observations of the solar magnetic fields, which are available for only four solar cycles. This raises the question of how limitations in observational data and model uncertainties affect predictive capabilities and implies the need for the development of new forecast methodologies and validation criteria. In this presentation, I will discuss the influence of the limited number of available observations on the accuracy of EnKF estimates of solar cycle parameters.

Kitiashvili, Irina N.↗
NASA NTRS1984

Component testing for dynamic model verification

Dynamic model verification is the process whereby an analytical model of a dynamic system is compared with experimental data, adjusted if necessary to bring it into agreement with the data, and then qualified for future use in predicting system response in a different dynamic environment. These are various ways to conduct model verification. The approach taken here employs Bayesian statistical parameter estimation. Unlike curve fitting, whose objective is to minimize the difference between some analytical function and a given quantity of test data (or curve), Bayesian estimation attempts also to minimize the difference between the parameter values of that funciton (the model) and their initial estimates, in a least squares sense. The objectives of dynamic model verification, therefore, are to produce a model which: (1) is in agreement with test data; (2) will assist in the interpretation of test data; (3) can be used to help verify a design; (4) will reliably predict performance; and (5) in the case of space structures, will facilitate dynamic control.

Hasselman, T. K.↗
NASA NTRS1987

A computer program for model verification of dynamic systems

Dynamic model verification is the process whereby an analytical model of a dynamic system is compared with experimental data, and then qualified for future use in predicting system response in a different dynamic environment. There are various ways to conduct model verification. The approach adopted in MOVER II employs Bayesian statistical parameter estimation. Unlike curve fitting whose objective is to minimize the difference between some analytical function and a given quantity of test data (or curve), Bayesian estimation attempts also to minimize the difference between the parameter values of that function (the model) and their initial estimates, in a least squares sense. The objectives of dynamic model verification, therefore, are to produce a model which: (1) is in agreement with test data, (2) will assist in the interpretation of test data, (3) can be used to help verify a design, (4) will reliably predict performance, and (5) in the case of space structures, facilitate dynamic control.

Chrostowski, J. D.↗
NASA NTRS2014

On Noise Assessment for Blended Wing Body Aircraft

A system noise study is presented for the blended-wing-body (BWB) aircraft configured with advanced technologies that are projected to be available in the 2025 timeframe of the NASA N+2 definition. This system noise assessment shows that the noise levels of the baseline configuration, measured by the cumulative Effective Perceived Noise Level (EPNL), have a large margin of 34 dB to the aircraft noise regulation of Stage 4. This confirms the acoustic benefits of the BWB shielding of engine noise, as well as other projected noise reduction technologies, but the noise margins are less than previously published assessments and are short of meeting the NASA N+2 noise goal. In establishing the relevance of the acoustic assessment framework, the design of the BWB configuration, the technical approach of the noise analysis, the databases and prediction tools used in the assessment are first described and discussed. The predicted noise levels and the component decomposition are then analyzed to identify the ranking order of importance of various noise components, revealing the prominence of airframe noise, which holds up the levels at all three noise certification locations and renders engine noise reduction technologies less effective. When projected airframe component noise reduction is added to the HWB configuration, it is shown that the cumulative noise margin to Stage 4 can reach 41.6 dB, nearly at the NASA goal. These results are compared with a previous NASA assessment with a different study framework. The approaches that yield projections of such low noise levels are discussed including aggressive assumptions on future technologies, assumptions on flight profile management, engine installation, and component noise reduction technologies. It is shown that reliable predictions of component noise also play an important role in the system noise assessment. The comparisons and discussions illustrate the importance of practical feasibilities and constraints in aircraft system noise studies, which include aerodynamic performance, propulsion efficiency, flight profile limitation and many other factors. For a future aircraft concept to achieve the NASA N+2 noise goal it will require a range of fully successful noise reduction technology developments.

Guo, Yueping↗
DOE OSTI2025

Prediction of hydration energies of adsorbates at Pt(111) and liquid water interfaces using machine learning

Aqueous phase heterogeneous catalysis is important to various industrial processes, including biomass conversion, Fischer–Tropsch synthesis, and electrocatalysis. Accurate calculation of solvation thermodynamic properties is essential for modeling the performance of catalysts for these processes. Explicit solvation methods employing multiscale modeling, e.g., involving density functional theory and molecular dynamics have emerged for this purpose. Although accurate, these methods are computationally intensive. This study introduces machine learning (ML) models to predict solvation thermodynamics for adsorbates on a Pt(111) surface, aiming to enhance computational efficiency without compromising accuracy. In particular, ML models are developed using a combination of molecular descriptors and fingerprints and trained on previously published water–adsorbate interaction energies, energies of solvation, and free energies of solvation of adsorbates bound to Pt(111). These models achieve root mean square error values of 0.09 eV for interaction energies, 0.04 eV for energies of solvation, and 0.06 eV for free energies of solvation, demonstrating accuracy within the standard error of multiscale modeling. Feature importance analysis reveals that hydrogen bonding, van der Waals interactions, and solvent density, together with the properties of the adsorbate, are critical factors influencing solvation thermodynamics. Furthermore, these findings suggest that ML models can provide rapid and reliable predictions of solvation properties. This approach not only reduces computational costs but also offers insights into the solvation characteristics of adsorbates at Pt(111)–water interfaces.

Adsorption↗
DOE OSTI2025

Leveraging hyperspectral phenotyping for accurate, non-destructive prediction of metabolite profiles in poplar under drought stress

Accurately predicting drought tolerance in woody perennial bioenergy crops is critical for sustainable biomass production under fluctuating precipitation. Hyperspectral imaging (HSI) in the visible-near-infrared (VNIR) and shortwave-infrared (SWIR) ranges offers a promising approach for predicting plant biochemical traits, yet its application in metabolite profiling remains underexplored. We integrated VNIR+SWIR HSI with untargeted metabolomics to investigate drought-induced metabolic shifts in Populus leaves from eight Populus genotypes. Metabolite profiling identified 127 compounds, with 73 showing significant drought responses spanning amino acids (AA), carbohydrates (CHO), phenolic glycosides (PG), organic acids (OA), fatty acids and alcohols (FA), terpenes (T), phenolic metabolites (P), and unclassified metabolites. Spectral analysis revealed consistently higher reflectance across VNIR and SWIR wavelengths in drought-stressed plants, corresponding with increased accumulation of AA and reduced CHO and PG levels. Least absolute shrinkage and selection operator (LASSO) regression modeling identified robust spectral predictors of metabolite concentrations, associating VNIR wavelengths (500–700 nm) predominantly with AA and P, whereas SWIR wavelengths (1680–1700 nm) reliably predicted CHO, OA, and T. Several stable spectral-metabolite associations persisted across the two watering regimes (drought vs. well-watered), highlighting their potential as spectral biomarkers for non-destructive stress monitoring. Minimal genotype-specific variation suggests that observed spectral and metabolic responses were driven primarily by environmental factors, likely reflecting limited genetic diversity among the commercial Populus genotypes examined. This work establishes VNIR+SWIR hyperspectral imaging as a powerful, non-destructive phenotyping tool for precision monitoring and targeted improvement of drought resilience in bioenergy crops.

Biochemical trait prediction↗
DOE OSTI2025

Allosteric prediction via convolutional neural networks and protein structural and dynamical features

Allostery is the phenomenon whereby a binding event or covalent modification at one site in a protein modulates function at a distal site, thus changing a protein’s functional state. As such, it is a ubiquitous aspect of protein functional regulation. Computationally predicting allosteric states is important as part of the broader challenge of functional annotation, but it also has practical implications for drug development, as targeting an allosteric site often affords greater specificity compared with targeting an orthosteric site. This study introduces a machine learning approach to predict the allosteric functional state using the small G-protein KRas as the model system, due to its implication in many types of cancer and being well studied as a result with many x-ray crystallographic structures of KRas available with different mutations and ligands bound. Using structural and dynamical features that can be cast as images, namely interatomic distances, contact maps, covariance, and mutual information, supervised learning was performed using convolutional neural networks. Two pretrained convolutional neural network architectures, GoogLeNet and ResNet18, were fine-tuned to classify KRas into active or inactive states based on these features. Across training regimes, atomic contact maps emerged as the most effective structural feature, whereas linearized mutual information outperformed covariance in capturing dynamical correlations relevant to allostery. Models achieved significant validation accuracy, with atomic contact maps yielding up to 90% accuracy. In conclusion, the findings suggest that integrating global structural rearrangements and correlated motion patterns with deep learning can reliably predict protein allosteric states, offering a promising framework for understanding allosteric regulation and developing targeted therapeutics.

Rajeshwar T., Rajitha [Oak Ridge National Laborato↗
NASA NTRS2005

Range Process Simulation Tool

Range Process Simulation Tool (RPST) is a computer program that assists managers in rapidly predicting and quantitatively assessing the operational effects of proposed technological additions to, and/or upgrades of, complex facilities and engineering systems such as the Eastern Test Range. Originally designed for application to space transportation systems, RPST is also suitable for assessing effects of proposed changes in industrial facilities and large organizations. RPST follows a model-based approach that includes finite-capacity schedule analysis and discrete-event process simulation. A component-based, scalable, open architecture makes RPST easily and rapidly tailorable for diverse applications. Specific RPST functions include: (1) definition of analysis objectives and performance metrics; (2) selection of process templates from a processtemplate library; (3) configuration of process models for detailed simulation and schedule analysis; (4) design of operations- analysis experiments; (5) schedule and simulation-based process analysis; and (6) optimization of performance by use of genetic algorithms and simulated annealing. The main benefits afforded by RPST are provision of information that can be used to reduce costs of operation and maintenance, and the capability for affordable, accurate, and reliable prediction and exploration of the consequences of many alternative proposed decisions.

Phillips, Dave↗
DOE OSTI2024

Spectroscopic Measurements and Models of Energy Deposition in the Substrate of Quantum Circuits by Natural Ionizing Radiation

Naturally occurring background radiation is a potential source of correlated decoherence events in superconducting qubits that will challenge error-correction schemes. In order to characterize the radiation environment in an unshielded laboratory representative of superconducting qubits’ environments, we performed broadband, spectroscopic measurements of background radiation events inside a millikelvin refrigerator. The spectrometer was designed to mimic the size and composition of a quantum circuit. Specifically, we measured the background radiation spectra in silicon substrates of two thicknesses, 500 and 1500 µm, and one area, 25 mm 2 . The observed spectra span energies from a few kilo-electron-volts up to nearly 10 MeV, are nearly featureless, and decrease in intensity by a factor of 40 000 between 100 keV and 3 MeV for the 500-µm substrate. We integrate the spectra to obtain the average event rates and deposited power levels. These quantities correspond to a rate of 0.023 events per second and a power of 4.9 keV s -1 , when counting events that deposit at least 40 keV for the 500-µm-thick substrate. We find that the cryogenic measurements are in good agreement with predictions based on simple measurements of the terrestrial gamma-ray flux outside the refrigerator, published models of cosmic-ray fluxes, a crude model of the cryostat, and radiation-transport simulations. This model requires no free parameters to predict the background radiation spectra in the silicon substrates. The agreement between measurements and predictions demonstrates that the model we present can be used to assess the relative contributions of terrestrial and cosmic-ray sources to background radiation interactions in silicon substrates of varying thickness. These spectroscopic measurements are performed with a novel combination of superconducting microresonators located on micromachined silicon islands that define the interaction volume with background radiation. The resonators transduce deposited energy to a readily detectable electrical signal. Microresonator readout closely resembles dispersive superconducting qubit readout, so similar devices—with or without micromachined islands—are suitable for integration with superconducting quantum circuits as detectors for background radiation events. For our specific laboratory conditions, we find that gamma-ray emissions from radioisotopes are responsible for the majority of events that deposit E < 1 ⁢Me⁢V. We present results demonstrating that the background radiation spectrum contains relevant contributions from cosmic-ray particles other than muons, particularly a tail of multi-mega-electron-volt events due to protons and neutrons. These observations suggest several paths to reducing the impact of background radiation on quantum circuits, supported by an empirically validated model for generating reliable predictions of radiation interactions with silicon substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Modelling the limiter ramp-up of WEST for addressing the future challenges of ITER

This paper presents a joint experimental and numerical investigation into the physics of long limited plasma ramp-up in tokamaks with tungsten (W) first walls, a critical phase for ITER operation. The comparison between the average plasma quantities simulated using the SolEdge-HDG code and the measurements taken during three successive WEST discharges after boronisation shows how challenging it is to predict this phase. While simulations reproduce the general trends at the midplane, with reasonable match in density profiles, they consistently underestimate core temperatures possibly due to too large perpendicular heat conductivity. On the contrary, at the high field side (HFS) limiter, simulations overestimate the measured quantities, and highlights the limitation of using Bohm boundary conditions at grazing magnetic angles. Experimental measurements reveal that the boron layer is rapidly eroded, on a timescale comparable to a single ITER discharge. The subsequent transition from a boron-coated to a tungsten wall increases recycling and significantly degrades the core plasma, reducing the electron temperature by nearly half due to W contamination, despite wall parameters remaining stable. Furthermore, comparisons with Langmuir probes, bolometry, reflectometry, and spectroscopy indicate that the experimental far scrape-Off layer (SOL) is significantly wider than simulated. This wide SOL implies that boron erosion extends along the entire HFS limiter rather than being confined to the contact point. This work highlights some characteristics of the plasma during this phase of the discharge and emphasizes the current modelling issues that need to be resolved in order to obtain reliable predictions concerning the ITER ramp-up.

ITER↗
NASA NTRS1990

Surrogate oracles, generalized dependency and simpler models

Software reliability models require the sequence of interfailure times from the debugging process as input. It was previously illustrated that using data from replicated debugging could greatly improve reliability predictions. However, inexpensive replication of the debugging process requires the existence of a cheap, fast error detector. Laboratory experiments can be designed around a gold version which is used as an oracle or around an n-version error detector. Unfortunately, software developers can not be expected to have an oracle or to bear the expense of n-versions. A generic technique is being investigated for approximating replicated data by using the partially debugged software as a difference detector. It is believed that the failure rate of each fault has significant dependence on the presence or absence of other faults. Thus, in order to discuss a failure rate for a known fault, the presence or absence of each of the other known faults needs to be specified. Also, in simpler models which use shorter input sequences without sacrificing accuracy are of interest. In fact, a possible gain in performance is conjectured. To investigate these propositions, NASA computers running LIC (RTI) versions are used to generate data. This data will be used to label the debugging graph associated with each version. These labeled graphs will be used to test the utility of a surrogate oracle, to analyze the dependent nature of fault failure rates and to explore the feasibility of reliability models which use the data of only the most recent failures.

Wilson, Larry↗
NASA NTRS2011

Space Shuttle Main Engine - The Relentless Pursuit of Improvement

The Space Shuttle Main Engine (SSME) is the only reusable large liquid rocket engine ever developed. The specific impulse delivered by the staged combustion cycle, substantially higher than previous rocket engines, minimized volume and weight for the integrated vehicle. The dual pre-burner configuration permitted precise mixture ratio and thrust control while the fully redundant controller and avionics provided a very high degree of system reliability and health diagnosis. The main engine controller design was the first rocket engine application to incorporate digital processing. The engine was required to operate at a high chamber pressure to minimize engine volume and weight. Power level throttling was required to minimize structural loads on the vehicle early in flight and acceleration levels on the crew late in ascent. Fatigue capability, strength, ease of assembly and disassembly, inspectability, and materials compatibility were all major considerations in achieving a fully reusable design. During the multi-decade program the design evolved substantially using a series of block upgrades. A number of materials and manufacturing challenges were encountered throughout SSME s history. Significant development was required for the final configuration of the high pressure turbopumps. Fracture control was implemented to assess life limits of critical materials and components. Survival in the hydrogen environment required assessment of hydrogen embrittlement. Instrumentation systems were a challenge due to the harsh thermal and dynamic environments within the engine. Extensive inspection procedures were developed to assess the engine components between flights. The Space Shuttle Main Engine achieved a remarkable flight performance record. All flights were successful with only one mission requiring an ascent abort condition, which still resulted in an acceptable orbit and mission. This was achieved in large part via extensive ground testing to fully characterize performance and to establish acceptable life limits. During the program over a million seconds of accumulated test and flight time was achieved. Post flight inspection and assessment was a key part of assuring proper performance of the flight hardware. By the end of the program the predicted reliability had improved by a factor of four. These unique challenges, evolution of the design, and the resulting reliability will be discussed in this paper.

VanHooser, Katherine P.↗
DOE OSTI2024

Advancing an integrated understanding of land–ocean connections in shaping the marine ecosystems of coastal temperate rainforest ecoregions

Land and ocean ecosystems are strongly connected and mutually interactive. As climate changes and other anthropogenic stressors intensify, the complex pathways that link these systems will strengthen or weaken in ways that are currently beyond reliable prediction. In this review we offer a framework of land–ocean couplings and their role in shaping marine ecosystems in coastal temperate rainforest (CTR) ecoregions, where high freshwater and materials flux result in particularly strong land–ocean connections. Using the largest contiguous expanse of CTR on Earth—the Northeast Pacific CTR (NPCTR)—as a case study, we integrate current understanding of the spatial and temporal scales of interacting processes across the land–ocean continuum, and examine how these processes structure and are defining features of marine ecosystems from nearshore to offshore domains. We look ahead to the potential effects of climate and other anthropogenic changes on the coupled land–ocean meta-ecosystem. Finally, we review key data gaps and provide research recommendations for an integrated, transdisciplinary approach with the intent to guide future evaluations of and management recommendations for ongoing impacts to marine ecosystems of the NPCTR and other CTRs globally. In the light of extreme events including heatwaves, fire, and flooding, which are occurring almost annually, this integrative agenda is not only necessary but urgent.

54 ENVIRONMENTAL SCIENCES↗