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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Differential timing of gene expression and recruitment in independent origins of CAM in the Agavoideae (Asparagaceae)

Crassulacean acid metabolism (CAM) photosynthesis has evolved repeatedly across the plant tree of life, however our understanding of the genetic convergence across independent origins remains hampered by the lack of comparative studies. Here, we explore gene expression profiles in eight species from the Agavoideae (Asparagaceae) encompassing three independent origins of CAM. Using comparative physiology and transcriptomics, we examined the variable modes of CAM in this subfamily and the changes in gene expression across time of day and between well watered and drought-stressed treatments. We further assessed gene expression and the molecular evolution of genes encoding phosphoenolpyruvate carboxylase (PPC), an enzyme required for primary carbon fixation in CAM. Most time-of-day expression profiles are largely conserved across all eight species and suggest that large perturbations to the central clock are not required for CAM evolution. By contrast, transcriptional response to drought is highly lineage specific. Yucca and Beschorneria have CAM-like expression of PPC2 , a copy of PPC that has never been shown to be recruited for CAM in angiosperms. Together the physiological and transcriptomic comparison of closely related C 3 and CAM species reveals similar gene expression profiles, with the notable exception of differential recruitment of carboxylase enzymes for CAM function.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb2VO5/QD heterostructures

The efficient conversion of solar energy to chemical energy represents a critical bottleneck to the energy transition. Photocatalytic splitting of water to generate solar fuels is a promising solution. Semiconductor quantum dots (QDs) are prime candidates for light-harvesting components of photocatalytic heterostructures, given their size-dependent photophysical properties and band-edge energies. A promising series of heterostructured photocatalysts interface QDs with transition-metal oxides which embed midgap electronic states derived from the stereochemically active electron lone pairs of p-block cations. Here, we examine the thermodynamic driving forces and dynamics of charge separation in Sb2VO5/CdSe QD heterostructures, wherein a high density of Sb 5s2-derived midgap states are prospective acceptors for photogenerated holes. Hard-x-ray valence band photoemission spectroscopy measurements of Sb2VO5/CdSe QD heterostructures were used to deduce thermodynamic driving forces for charge separation. Interfacial charge transfer dynamics in the heterostructures were examined as a function of the mode of interfacial connectivity, contrasting heterostructures with direct interfaces assembled by successive ion layer adsorption and reaction (SILAR) and interfaces comprising molecular bridges assembled by linker-assisted assembly (LAA). Transient absorption spectroscopy measurements indicate ultrafast (<2 ps) electron and hole transfer in SILAR-derived heterostructures, whereas LAA-derived heterostructures show orders of magnitude differentials in the kinetics of hole (<100 ps) and electron (∼1 ns) transfer. The interface-modulated kinetic differentials in electron and hole transfer rates underpin the more effective charge separation, reduced charge recombination, and greater photocatalytic efficiency observed for the LAA-derived Sb2VO5/CdSe QD heterostructures.

Chemistry↗
DOE OSTI2021

Liouville operators over the Hardy space

The role of Liouville operators in the study of dynamical systems through the use of occupation measures has been an active area of research in control theory over the past decade. This article investigates Liouville operators over the Hardy space, which encode complex ordinary differential equations in an operator over a reproducing kernel Hilbert space.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
NASA NTRS1991

Airborne lidar for profiling of surface topography

A lidar system is described that measures laser pulse time-of-flight and the distortion of the pulse waveform for reflection from earth surface terrain features. This instrument system is mounted on a high-altitude aircraft platform and operated in a repetitively pulsed mode for measurements of surface elevation profiles. The laser transmitter makes use of recently developed short-pulse diode-pumped solid-state laser technology. Aircraft position in three dimensions is measured to submeter accuracy by use of differential Global Positioning System receivers. Instrument construction and performance are detailed.

Bufton, Jack L.↗
NASA NTRS1997

Analysis of ripple formation in single crystal spot welds

Stationary spot welds have been made at the (001) surface of Fe-l5%Ni-15%Cr single crystals using a Gas Tungsten Arc (GTA). On the top surface of the spot welds, very regular and concentric ripples were observed after solidification by differential interference color microscopy. Their height (typically 1--5 micrometers and spacing, typically approximately 60 micrometers) decreased with the radius of the pool. These ripples were successfully accounted for in terms of capillary-wave theory using the fundamental mode frequency f(sub 0) given by the first zero of the zero-order Bessel function. The spacing d between the ripples was then equated to v(sub s)/f(sub 0), where v(sub s) is the solidification rate. From the measured ripple spacing, the velocity of the pool was deduced as a function of the radius, and this velocity was in good agreement with the results of a heat-flow simulation.

Rappaz, M.↗
NASA NTRS2005

Flexible Models for Solar Sail Control

Solar sails employ a unique form of propulsion, gaining momentum from incident and reflected photons. However, the momentum transferred by an individual photon is extremely small. Consequently, a solar sail must have an extremely large surface area and also be extremely light. The flexibility of the sail then must be considered when designing or evaluating control laws. In this paper, solar sail flexibility and its influence on control effectiveness is considered using idealized two-dimensional models to represent physical phenomena rather than a specific design. Differential equations of motion are derived for a distributed parameter model of a flexible solar sail idealized as a rotating central hub with two opposing flexible booms. This idealization is appropriate for solar sail designs in which the vibrational modes of the sail and supporting booms move together allowing the sail mass to be distributed along the booms in the idealized model. A reduced analytical model of the flexible response is considered. Linear feedback torque control is applied at the central hub. Two translational disturbances and a torque disturbance also act at the central hub representing the equivalent effect of deflecting sail shape about a reference line. Transient simulations explore different control designs and their effectiveness for controlling orientation, for reducing flexible motion and for disturbance rejection. A second model also is developed as a two-dimensional "pathfinder" model to calculate the effect of solar sail shape on the resultant thrust, in-plane force and torque at the hub. The analysis is then extended to larger models using the finite element method. The finite element modeling approach is verified by comparing results from a two-dimensional finite element model with those from the analytical model. The utility of the finite element modeling approach for this application is then illustrated through examples based on a full finite element model.

Weaver Smith, Suzanne↗
NASA NTRSDate not supplied

LIPA: Lunar Ice Perception Algorithm

The highest concentration of Lunar water-ice stores exists within the Permanently Shadowed Regions (PSRs) of the Lunar South Pole. As such, the ability to locate in situ water-ice stores in an accurate, systematic, and safe manner will prove vital for future Lunar activities which rely on hydrogen-based resources. Here we show how the strong absorptive properties of ice can be exploited (by coupling robotics, infrared imaging techniques, and machine learning) so that surface frost located in PSRs can be easily differentiated from the surrounding frozen regolith. Testbeds which simulate an icy lunar landscape were created and then imaged using a mid-wave infrared (MWIR) camera system mounted to a robotic arm (UR5e). Testbeds were imaged under two filter modes (1) wide band mode: whereby imagery captured filled a spectral range of 3.0 - 5.0 μm and (2) narrow band mode: whereby imagery captured were confined to a single central wavelength (CWL) of 3.15 ± 0.03 μm. A CWL of 3.15 μm was chosen due to the highly absorptive nature of ice at that specific wavelength. Images produced under both camera modes were processed in MATLAB. Narrow band images (NB) were subtracted from their wide band (WB) counterparts to produce differenced images (DI) which clearly demonstrated the spatial extent of ice (e.g., WB – NB = DI). Differenced images were used to train a Microsoft Azure model to discriminate between frozen regolith which did and did not contain ice. These works prove promising for future in situ resource utilization (ISRU) missions which employ robotics in combination with camera systems to advance science objectives (e.g., locate water-ice in frozen regolith) on the lunar surface.

Ane Slabic↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴× speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously—previously impossible with conventional tools—while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
NASA NTRS1986

Quasi-geostrophic free mode models of long-lived Jovian eddies: Forcing mechanisms and crucial observational tests

Observations of Jupiter and Saturn long-lived eddies, such as Jupiter's Great Red Spot and White Ovals, are presently compared with laboratory experiments and corresponding numerical simulations for free thermal convection in a rotating fluid that is subject to horizontal differential heating and cooling. Difficulties in determining the essential processes maintaining and dissipating stable eddies, on the basis of global energy budget studies, are discussed; such difficulties do not arise in considerations of the flow's potential vorticity budget. On Jupiter, diabatically forced and transient eddy-driven flows primarily differ in the implied role of transient eddies in transporting potential vorticity across closed geostrophic streamlines in the time mean.

Read, P. L.↗
DOE OSTI2025

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.

chemical structure↗
DOE OSTI2025

A generalized effective potential for differentially rotating plasmas

Global stability of differentially rotating plasma is investigated using a generalized effective potential. We first, for a current-free system, obtain a general form of an effective potential in terms of the free energies of global curvature and gradients of rotation for non-axisymmetric disturbances. We then examine the stability of differentially rotating disks for several rotation profiles and present the associated effective potential for the onset of these instabilities in the MHD regime. In particular, results for global axisymmetric magnetorotational instability as well as local and global non-axisymmetric modes are presented. The latter constitute two distinct non-axisymmetric modes, a high frequency local MRI and a global low-frequency non-axisymmetric mode (the magneto-curvature mode, introduced in Ebrahimi and Pharr [Astrophys. J. 936, 145 (2022)]), confined either between two Alfvénic resonances or an Alfvénic resonance and a boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Optimal Frequency-domain Analysis for Spacecraft Time Series: Introducing the Missing-data Multitaper Power Spectrum Estimator

While the Lomb–Scargle periodogram is foundational to astronomy, it has a significant shortcoming: the variance in the estimated power spectrum does not decrease as more data are acquired. Statisticians have a 60 yr history of developing variance-suppressing power spectrum estimators, but most are not used in astronomy because they are formulated for time series with uniform observing cadence and without seasonal or daily gaps. Here we demonstrate how to apply the missing-data multitaper power spectrum estimator to spacecraft data with uniform time intervals between observations but missing data during thruster fires or momentum dumps. The F-test for harmonic components may be applied to multitaper power spectrum estimates to identify statistically significant oscillations that would not rise above a white noise–based false alarm probability. Multitapering improves the dynamic range of the power spectrum estimate and suppresses spectral window artifacts. We show that the multitaper–F-test combination applied to Kepler observations of KIC 6102338 detects differential rotation without requiring iterative sinusoid fitting and subtraction. Significant signals reside at harmonics of both fundamental rotation frequencies and suggest an antisolar rotation profile. Next we use the missing-data multitaper power spectrum estimator to identify the oscillation modes responsible for the complex "scallop-shell" shape of the K2 light curve of EPIC 203354381. We argue that multitaper power spectrum estimators should be used for all time series with regular observing cadence.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Primordial random motions and angular momenta of galaxies and galaxy clusters.

We study the decay of primordial random motions of galaxies and galaxy clusters in an expanding universe by solving a kinetic equation for the relaxation of differential energy spectra N(E, t). Systematic dissipative energy losses are included, involving gravitational drag by, and accretion of, intergalactic matter, as well as the effect of collisions with other systems. Formal and numerical solutions are described for two distinct modes of galaxy formation in a turbulent medium, corresponding to formation at a distinct epoch and to continuous formation of galaxies. We show that any primordial random motions of galaxies at the present epoch can amount to at most a few km/sec, and that collisions at early epochs can lead to the acquisition of significant amounts of primordial angular momentum.

Silk, J.↗
NASA NTRS1981

A more accurate modeling of the effects of actuators in large space structures

The paper deals with finite actuators. A nonspinning three-axis stabilized space vehicle having a two-dimensional large structure and a rigid body at the center is chosen for analysis. The torquers acting on the vehicle are modeled as antisymmetric forces distributed in a small but finite area. In the limit they represent point torquers which also are treated as a special case of surface distribution of dipoles. Ordinary and partial differential equations governing the forced vibrations of the vehicle are derived by using Hamilton's principle. Associated modal inputs are obtained for both the distributed moments and the distributed forces. It is shown that the finite torquers excite the higher modes less than the point torquers. Modal cost analysis proves to be a suitable methodology to this end.

Hablani, H. B.↗
NASA NTRS1990

Integrated modeling and analysis of a space-truss article

MSC/NASTRAN is being used in the Controls-Structures Interaction (CSI) program at NASA Langley Research Center as a key analytical tool for structural analysis as well as the basis for control law development, closed-loop performance evaluation, and system safety checks. Guest investigators from academia and industry are performing dynamics and control experiments on a flight-like deployable space truss called Mini-Mast to determine the effectiveness of various active-vibration control laws. MSC/NASTRAN was used to calculate natural frequencies and mode shapes below 100 Hz to describe the dynamics of the 20-meter-long lightweight Mini-Mast structure. Gravitational effects contribute significantly to structural stiffness and are accounted for through a two-phase solution in which the differential stiffness matrix is calculated and then used in the eigensolution. Reduced modal models are extracted for control law design and evaluation of closed-loop system performance. Predicted actuator forces from controls simulations are then applied to the extended model to predict member loads and stresses. These pre-test analyses reduce risks associated with the structural integrity of the test article, which is a major concern in closed-loop control experiments due to potential instabilities.

Alan E Stockwell↗
NASA NTRS2005

Mars Geological Province Designations for the Interpretation of GRS Data

Introduction: An overarching geologic theory, GEOMARS, coherently explains many otherwise anomalous aspects of the geological history of Mars. Premises for a theory of martian geologic evolution include: (1) Mars is a water-rich terrestrial planet, (2) terrestrial planets should evolve through progressive stages of dynamical history (accretion, differentiation, tectonism) and mantle convection (magma ocean, plate tectonism, stagnant lid), and (3) the early history of Earth affords an analogue to the evolution of Mars. The theory describes the following major stages of evolution for Mars (from oldest to youngest): Stage 1 - shortly after accretion, Mars differentiates to a liquid metallic core, a mantle boundary (MBL) of high-pressure silicate mineral phases, upper mantle, magma ocean, thin komatiic crust, and convecting steam atmosphere; Stage 2- Mars cools to condense its steam atmosphere and transform its mode of mantle convection to plate tectonism; subduction of waterrich oceanic crust initiates arc volcanism and transfers water, carbonates and sulfates to the mantle; Stage 3 - the core dynamo initiates, and the associated magnetosphere leads to conditions conducive to the development of near-surface life and photosynthetic production of oxygen; Stage 4 - accretion of thickened, continental crust and subduction of hydrated oceanic crust to the mantle boundary layer and lower mantle of Mars occurs; Stage 5 - the core dynamo stops during Noachian heavy bombardment while plate tectonism continues; Stage 6 - initiation of the Tharsis superplume (approx. between 4.0 and 3.8Ga) occurs, and Stage 7 - the superlume phase (stagnant-lid regime) of martian planetary evolution with episodic phases of volcanism and water outflows continues into the present. The GEOMARS Theory is testable through a multidisciplinary approach, including utilizing GRS-based information. Based on a synthesis of published geologic, paleohydrologic, topographic, geophysical, spectral, and elemental information, we have defined geologic provinces that represent significant windows into the geological evolution of Mars, unfolding the GEOMARS Theory and forming the basis for interpreting GRS data.

Dohm, J. M.↗
DOE OSTI2025

Raman spectroscopic investigation of UCl 4

Uranium chloride salts are a proposed fuel source for molten salt reactors (MSRs). However, despite their relevance to nuclear energy, they remain understudied, in part because of their air and moisture sensitivity. Here, this work provides the first Raman spectra of UCl 4 from 45 to 3200 cm −1 collected with 532 and 785 nm excitation sources as well as the assignment of 10 identified peaks to their respective vibrational modes. These Raman bands are compared to those for isostructural ThCl 4 , the compositionally related UCl 3 , and the computed Raman bands for UCl 4 from local vibrational mode analysis. The observed spectrum of UCl 4 is in accord with that of ThCl 4 and the computed spectra of UCl 4 . We posit that the observed differences between the spectra of UCl 4 and UCl 3 are useful in differentiating these species for applications such as in situ monitoring of MSR operations.

Anoxic spectroscopy↗