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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Irradiation Behavior of Piezoelectric Materials for Nuclear Reactor Sensors

In-situ measurement of surface acoustic wave (SAW) resonators were used to characterize piezoelectric materials behavior in a nuclear reactor environment. Lithium niobate and aluminum nitride devices were tested up to 500°C temperature and 450 kW reactor power (1.9x10 12 n/cm 2 s). The resonant frequency responds to step changes in temperature and power. Materials’ response are inferred from the observed resonant frequency changes, in particular the kinetic behavior is used to determine mechanisms responsible for observed changes. The observed response is attributed to two mechanisms: temperature increase from gamma heating and accumulation of radiation-induced defects. Both of these mechanisms alter the physical properties of the piezoelectric materials, particularly the elastic constants. The demonstrated repeatability and reliability of SAW devices are attractive for sensor applications in extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hierarchical deep reinforcement learning reveals a modular mechanism of cell movement

Time-lapse images of cells and tissues contain rich information about dynamic cell behaviours, which reflect the underlying processes of proliferation, differentiation and morphogenesis. However, we lack computational tools for effective inference. Here we exploit deep reinforcement learning (DRL) to infer cell–cell interactions and collective cell behaviours in tissue morphogenesis from three-dimensional (3D) time-lapse images. We use hierarchical DRL (HDRL), known for multiscale learning and data efficiency, to examine cell migrations based on images with a ubiquitous nuclear label and simple rules formulated from empirical statistics of the images. When applied to Caenorhabditis elegans embryogenesis, HDRL reveals a multiphase, modular organization of cell movement. Imaging with additional cellular markers confirms the modular organization as a novel migration mechanism, which we term sequential rosettes. Furthermore, HDRL forms a transferable model that successfully differentiates sequential rosettes-based migration from others. Our study demonstrates a powerful approach to infer the underlying biology from time-lapse imaging without prior knowledge.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

BSE versus StarTrack: Implementations of new wind, remnant-formation, and natal-kick schemes in NBODY7 and their astrophysical consequences

As a result of their formation via massive single and binary stellar evolution, the masses of stellar-remnant black holes (BH) are subjects of great interest in this era of gravitational-wave detection from binary black hole (BBH) and binary neutron star merger events. In this work, we present new developments in the stellar-remnant formation and related schemes of the current N-body evolution program NBODY7. We demonstrate that the newly implemented stellar-wind and remnant-formation schemes in the stellar-evolutionary sector or BSE of the NBODY7 code, such as the “rapid” and the “delayed” supernova (SN) schemes along with an implementation of pulsational-pair-instability and pair-instability supernova (PPSN/PSN), now produce neutron star (NS) and BH masses that agree nearly perfectly, over large ranges of zero-age-main-sequence (ZAMS) mass and metallicity, with those from the widely recognised StarTrack population-synthesis program. We also demonstrate the new, recipe-based implementations of various widely debated mechanisms of natal kicks on NSs and BHs, such as “convection-asymmetry-driven”, “collapse-asymmetry-driven”, and “neutrino-emission-driven” kicks, in addition to a fully consistent implementation of the standard, fallback-dependent, momentum-conserving natal kick. All the above newly implemented schemes are also shared with the standalone versions of SSE and BSE. Furthermore, all these demonstrations are performed with both the updated standalone BSE and the updated NBODY7/BSE. When convolved with stellar and primordial-binary populations as observed in young massive clusters, such remnant-formation and natal-kick mechanisms crucially determine the accumulated number, mass, and mass distribution of the BHs retained in young massive, open, and globular clusters (GCs); these BHs would eventually become available for long-term dynamical processing. Among other conclusions, we find that although the newer, delayed SN remnant formation model gives birth to the largest number (mass) of BHs, the older remnant-formation schemes cause the largest number (mass) of BHs to survive in clusters, when incorporating SN material fallback onto the BHs. The SN material fallback also causes the convection-asymmetry-driven SN kick to effectively retain similar numbers and masses of BHs in clusters as for the standard, momentum-conserving kick. The collapse-asymmetry-driven SN kick would cause nearly all BHs to be retained in clusters irrespective of their mass, remnant-formation model, and metallicity, whereas the inference of a large population of BHs in GCs would potentially rule out the neutrino-driven SN kick mechanism. Pre-SN mergers of massive primordial binaries would potentially cause BH masses to deviate from the theoretical, single-star ZAMS to mass-remnant mass relation unless a substantial of the total merging stellar mass of up to ≈40% is lost during a merger process. In particular, such mergers, at low metallicities, have the potential to produce low-spinning BHs within the PSN mass gap that can be retained in a stellar cluster and be available for subsequent dynamical interactions. As recent studies indicate, the new remnant-formation modelling reassures us that young massive and open clusters would potentially contribute to the dynamical BBH merger detection rate to a similar extent as their more massive GC counterparts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Isolation of a Cu–H Monomer Enabled by Remote Steric Substitution of a N-Heterocyclic Carbene Ligand: Stoichiometric Insertion and Catalytic Hydroboration of Internal Alkenes

Transient Cu–H monomers have long been invoked in the mechanisms of substrate insertion in Cu–H catalysis. Their role from Cu–H aggregates has been mostly inferred since ligands to stabilize these monomeric intermediates for systematic studies remain limited. Within the last decade, new sterically demanding N-heterocyclic carbene (NHC) ligands have led to isolable Cu–H dimers and, in some cases, spectroscopic characterization of Cu–H monomers in solution. In this work, we report an NHC ligand, IPr*R, containing para R groups of CHPh 2 and CPh 3 on the ligand periphery for the isolation of a Cu–H monomer for insertion of internal alkenes. This reactivity has not been reported for (NHC)CuH complexes despite their common application in Cu–H-catalyzed hydrofunctionalization. Changing from CHPh 2 to CPh 3 impacts the relative concentration of Cu–H monomers, rate of alkene insertion, and reaction of a trisubstituted internal alkene. Specifically, for R = CPh 3 , monomeric (IPr*CPh 3 )CuH was isolated and provided >95% monomer (10 mM in C 6 D 6 ). In contrast, for R = CHPh 2 , solutions of [(IPr*CHPh 2 )CuH] 2 are 80% dimer and 20% (IPr*CHPh 2 )CuH monomer at 25 °C based on 1 H, 13 C, and 1 H– 13 C HMBC NMR spectroscopy. Quantitative 1 H NMR kinetic studies on cyclopentene insertion into Cu–H complexes to form the corresponding Cu–cyclopentyl complexes demonstrate a strong dependence on the rate of insertion and concentration of the Cu–H monomer. Only (IPr*CPh 3 )CuH, which has a high monomer concentration, underwent regioselective insertion of a trisubstituted internal alkene, 1-methylcyclopentene, to give (IPr*CPh 3 )Cu(2-methylcyclopentyl), which has been crystallographically characterized. We also demonstrated that (IPr*CPh 3 )CuH catalyzes the hydroboration of cyclopentene and methylcyclopentene with pinacolborane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The influence of microbial colonization on inflammatory versus pro-healing trajectories in combat extremity wounds

A combination of improved body armor, medical transportation, and treatment has led to the increased survival of warfighters from combat extremity injuries predominantly caused by blasts in modern conflicts. Despite advances, a high rate of complications such as wound infections, wound failure, amputations, and a decreased quality of life exist. To study the molecular underpinnings of wound failure, wound tissue biopsies from combat extremity injuries had RNA extracted and sequenced. Wounds were classified by colonization (colonized vs. non-colonized) and outcome (healed vs. failed) status. Differences in gene expression were investigated between timepoints at a gene level, and longitudinally by multi-gene networks, inferred proportions of immune cells, and expression of healing-related functions. Differences between wound outcomes in colonized wounds were more apparent than in non-colonized wounds. Colonized/healed wounds appeared able to mount an adaptive immune response to infection and progress beyond the inflammatory stage of healing, while colonized/failed wounds did not. Although, both colonized and non-colonized failed wounds showed increasing inferred immune and inflammatory programs, non-colonized/failed wounds progressed beyond the inflammatory stage, suggesting different mechanisms of failure dependent on colonization status. Overall, these data reveal gene expression profile differences in healing wounds that may be utilized to improve clinical treatment paradigms.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Xenon in the Protoplanetary Disk (PPD), in Two Planets, and a Comet

Isotopic anomalies in several elements, as recently observed in meteorites, are generally interpreted to indicate nonequilibrium environments in the protoplanetary disk (PPD). Here we study reported Xe isotopic compositions on planets Earth and Mars, in a comet, and in meteorites for precursor discrepancies. Abundance variations of inferred presolar nano-diamonds, the carrier phase of the Xe-HL component, appear to be the primary source of nonuniformity of Xe precursors in the PPD, together with mechanisms of mass-dependent fractionation. While planet Mars kept a record of initial solar Xe isotopic abundances, such a record is missing for planet Earth. Xe isotopic abundances in paleo-atmospheres of both planets represent secondary reservoirs that show mass-dependent fractionation effects, but the inferred compositions of their PPD precursors differ: Mars atmospheric precursor Xe had solar isotopic composition, while Earth’s Xe precursor is consistent with a PPD reservoir of low nano-diamond abundance. Strong mass-dependent fractionation effects are observed in Xe components of IAB irons and in Yamato carbonaceous (CY) chondrites, and show that fractionation mechanisms are not restricted to planetary atmospheres. These records show that Xe isotopes in solar system reservoirs are useful tracers of evolutionary processes and of nonequilibrated presolar components in the PPD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Inverse design of cellular structures with the targeted nonlinear mechanical response

Advanced additive manufacturing capabilities have enabled a transformational ability to create sophisticated cellular structures using diverse materials. By altering the topology of the unit cell, the mechanical behavior, such as the stress-strain response during compression, can be modulated. Nevertheless, identifying a printable topology within an enormous design space that would precisely deliver the targeted nonlinear material response is challenging. We propose a data-driven generative framework based on a conditional variational autoencoder (cVAE) architecture that can inverse design the cellular structure based on the intended nonlinear stress-strain response. Trained on a dataset of structure-property pairs, the cVAE learns a compact and expressive latent space that enables efficient mapping from targets to feasible geometries. Two inference modes are explored: (1) decoder-only generation, which enables the exploration of diverse designs conditioned solely on the desired mechanical response, and (2) encoder-decoder generation, which further allows for the incorporation of desired topologies, ensuring the generated structure conforms to both mechanical properties and to desired-topology constraints. The results demonstrate that the model can generate structurally plausible and mechanically accurate designs, with the predicted stress-strain curves closely matching the targets. Even under joint conditioning, the model effectively balances geometric fidelity and functional performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bayesian inference of fiber orientation and polymer properties in short fiber-reinforced polymer composites

Herein we present a Bayesian methodology to infer the elastic modulus of the constituent polymer and the fiber orientation state in a short-fiber reinforced polymer composite (SFRP). The properties are inversely determined using only a few experimental tests. Developing composite manufacturing digital twins for SFRP composite processes, including injection molding and extrusion deposition additive manufacturing (EDAM) requires extensive experimental material characterization. In particular, characterizing the composite mechanical properties is time consuming and therefore, micromechanics models are used to fully identify the elasticity tensor. Hence, the objective of this paper is to infer the fiber orientation and the effective polymer modulus and therefore, identify the elasticity tensor of the composite with minimal experimental tests. To that end, we develop a hierarchical Bayesian model coupled with a micromechanics model to infer the fiber orientation and the polymer elastic modulus simultaneously which we then use to estimate the composite elasticity tensor. We motivate and demonstrate the methodology for the EDAM process but the development is such that it is applicable to other SFRP composites processed via other methods. Our results demonstrate that the approach provides a reliable framework for the inference, with as few as three tensile tests, while accounting for epistemic and aleatory uncertainty. Posterior predictive checks show that the model is able to recreate the experimental data well. The ability of the Bayesian approach to calibrate the material properties and its associated uncertainties, make it a promising tool for enabling a probabilistic predictive framework for composites manufacturing digital twins.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Room-Temperature Mechanical Resonator with a Single Added or Subtracted Phonon

A room-temperature mechanical oscillator undergoes thermal Brownian motion with an amplitude much larger than the amplitude associated with a single phonon of excitation. This motion can be read out and manipulated using laser light using a cavity-optomechanical approach. By performing a strong quantum measurement (i.e., counting single photons in the sidebands imparted on a laser), we herald the addition and subtraction of single phonons on the 300 K thermal motional state of a 4 GHz mechanical oscillator. Further, to understand the resulting mechanical state, we implement a tomography scheme and observe highly non-Gaussian phase-space distributions. Using a maximum likelihood method, we infer the density matrix of the oscillator, and we confirm the counterintuitive doubling of the mean phonon number resulting from phonon addition and subtraction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Complex Fault Geometry of the 2020 M ww 6.5 Monte Cristo Range, Nevada, Earthquake Sequence

On 15 May 2020 an M ww 6.5 earthquake occurred beneath the Monte Cristo Range in the Mina Deflection region of western Nevada. Rapid deployment of eight temporary seismic stations enabled detailed analysis of its productive and slowly decaying aftershock sequence (p=0.8), which included ~18,000 autodetected events in 3.5 months. Double-difference, waveform-based relative relocation of 16,714 earthquakes reveals a complex network of faults, many of which cross the inferred 35-km-long east–northeast-striking, left-lateral mainshock rupture. Seismicity aligns with left-lateral, right-lateral, and normal mechanism moment tensors of 128 of the largest earthquakes. The mainshock occurred near the middle of the aftershock zone at the intersection of two distinct zones of seismicity. In the western section, numerous subparallel, shallow, north-northeast-striking faults form a broad flower-structure-like fault mesh that coalesces at depth into a near-vertical, left-lateral fault. We infer the near-vertical fault to be a region of significant slip in the mainshock and an eastward extension of the left-lateral Candelaria fault. Near the mainshock hypocenter, seismicity occurs on a northeast-striking, west-dipping structure that extends north from the eastern Columbus Salt Marsh normal fault. Together, these two intersecting structures bound the Columbus Salt Marsh tectonic basin. East of this intersection and the mainshock hypocenter, seismicity occurs in a narrow, near-vertical, east-northeast-striking fault zone through to its eastern terminus. At the eastern end, the aftershock zone broadens and extends northwest toward the southern extension of the northwest-striking, right-lateral Petrified Springs fault system. The eastern section hosts significantly fewer aftershocks than the western section, but has more moment release. We infer that shallow aftershocks throughout the system highlight fault-fracture meshes that connect mapped fault systems at depth. Here, comparing earthquake data with surface ruptures and a simple geodetic fault model sheds light on the complexity of this recent M 6.5 Walker Lane earthquake.

58 GEOSCIENCES↗
DOE OSTI2020

Inverse energy transfer in decaying, three-dimensional, non-helical magnetic turbulence due to magnetic reconnection

ABSTRACT It has been recently shown numerically that there exists an inverse transfer of magnetic energy in decaying, non-helical, magnetically dominated, magnetohydrodynamic turbulence in three dimensions (3D). We suggest that magnetic reconnection is the underlying physical mechanism responsible for this inverse transfer. In the two-dimensional (2D) case, the inverse transfer is easily inferred to be due to smaller magnetic islands merging to form larger ones via reconnection. We find that the scaling behaviour is similar between the 2D and 3D cases, i.e. the magnetic energy evolves as t−1, and the magnetic power spectrum follows a slope of k−2. We show that on normalizing time by the magnetic reconnection time-scale, the evolution curves of the magnetic field in systems with different Lundquist numbers collapse on to one another. Furthermore, transfer function plots show signatures of magnetic reconnection driving the inverse transfer. We also discuss the conserved quantities in the system and show that the behaviour of these quantities is similar between the 2D and 3D simulations, thus making the case that the dynamics in 3D could be approximately explained by what we understand in 2D. Lastly, we also conduct simulations where the magnetic field is subdominant to the flow. Here, too, we find an inverse transfer of magnetic energy in 3D. In these simulations, the magnetic energy evolves as t−1.4 and, interestingly, a dynamo effect is observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Bayesian inference for plasmonic nanometrology

Here, we introduce a Bayesian method for the characterization of plasmonic nanoparticles, which is applicable to both near- and far-field problems. Designed to combine data generated from any photon-plasmon interaction experiment with physically motivated theoretical models, our approach leverages state-of-the-art Markov chain Monte Carlo sampling techniques and returns parameter estimates on nanometric scales. Simulated spectral data sets, describing resonant scattering of photons from ellipsoidal and toroidal nanoparticles, are explored as concrete examples of our approach, with the resulting Bayesian estimates showing excellent agreement with the ground truth, even under conditions of high statistical noise. By incorporating Bayes factors into the method as well, we reveal how model selection can determine which one of competing geometric shapes better explains the observed data. Our comprehensive nanometrology procedure can be tailored to a variety of light-particle interaction models, and its reliance on Bayesian inference furnishes automatic uncertainty quantification. In addition to applicability to a host of plasmonic configurations such as nanoparticle dimers, trimers, and array studies, it is proposed that the presented analysis can be extended to the quantum regime, where nonclassical photon statistics may provide additional insight for inference of scatterer properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Specimen sizing and remaining life sample calculations for high temperature reactor material surveillance

Advanced high-temperature nuclear reactors rely on structural components that will operate for decades under combined mechanical, thermal, and environmental loading. Materials surveillance programs are a promising strategy for managing the resulting uncertainty in long-term structural integrity by monitoring degradation in service using passively actuated mechanical test articles. Previous reports have developed a simplified, spreadsheetimplementable framework for sizing these test articles and for inferring accumulated creep damage and remaining life from ex-situ test data. This report advances that work toward practical deployment by providing a sample-problem book: a collection of worked, end-toend examples in which the ASME Section III, Division 5 design analysis of a representative high-temperature reactor component is carried through to a sized surveillance article, verified with detailed finite-element analysis, and concluded with a remaining-life assessment based on an assumed ex-situ creep-rate measurement on the retrieved specimen. The report also summarizes ongoing ANL engagement with ASTM Committee E10 on Nuclear Technology and Applications toward drafting a standard covering surveillance procedures for advanced reactors.

Barua, Bipul (ORCID:0000000247184113)↗
DOE OSTI2025

Development of Surveillance Test Articles for Materials Degradation Management in MSR Environments

Materials in molten salt reactors (MSR) undergo accelerated degradation from corrosion, irradiation, and cyclic loads at elevated temperatures. Establishing a materials surveillance program to enable the assessment of material deterioration is critical to assure structural integrity of MSRs components. This presentation summarizes recent efforts towards the development of surveillance test articles for collecting various damages for monitoring materials degradation. Surveillance test articles with reduced dimensions were designed to capture creep-fatigue damage from cyclic loading at elevated temperatures. The strain evolution of test articles during thermal cycling was analyzed both numerically and experimentally. Out-of-reactor thermal cycling demonstrated successful capture of strain range for materials assessment. Moreover, test articles were subject to both mechanical loads and molten salt exposure, and the damage due to stress and corrosion was investigated. Additionally, damage inference models were developed to predict the remaining life of materials based on the accumulated damage in surveillance test articles.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Boron Nitride-Driven Strengthening of Aluminum Composites via Friction Stir Processing

Friction stir welding and processing (FSW/P) has emerged as an effective solid-state joining technique for fabricating metal matrix composites (MMCs), offering improved mechanical properties through refined microstructural evolution. In this study, an aluminum-boron nitride nanoparticle (Al-BNNP) composite was synthesized via FSW, and its indentation-based mechanical properties were systematically evaluated. Microhardness mapping across the weld cross-section revealed a progressive increase in hardness toward the stir zone (SZ), attributed to severe plastic deformation, dynamic recrystallization (DRX), and the reinforcing effect of BNNPs. Profilometry-based indentation plastometry (PIP) inferred yield strength (YS) demonstrates a 47.8% increase compared to the base metal (BM) and a 75% improvement compared to FSP pure aluminum reported in literature. This enhancement is attributed to strengthening mechanisms, including grain boundary pinning, load transfer, and increased dislocation density. The strain rate sensitivity (SRS) measurements at the nanoscale demonstrated a substantial decrease in the SZ, correlated with ultrafine grain structures and strong BNNP-matrix interactions. Activation volume analysis revealed a significant reduction in the SZ, suggesting that dislocation motion is increasingly restricted by dislocation-dislocation and dislocation-particle interactions. These findings suggest that incorporating BNNPs in FSW/P enables tailoring the microstructure without thermal degradation of the secondary particles, thereby significantly enhancing the mechanical performance of aluminum composites, particularly for structural applications in aerospace and automotive industries.

Aluminum↗
DOE OSTI2021

Experimentally Inferred Fusion Yield Dependencies of OMEGA Inertial Confinement Fusion Implosions

Statistical modeling of experimental and simulation databases has enabled the development of an accurate predictive capability for deuterium-tritium layered cryogenic implosions at the OMEGA laser. Here, a physics-based statistical mapping framework is described and used to uncover the dependencies of the fusion yield. This model is used to identify and quantify the degradation mechanisms of the fusion yield in direct-drive implosions on OMEGA. The yield is found to be reduced by the ratio of laser beam to target radius, the asymmetry in inferred ion temperatures from the $l$ = 1 mode, the time span over which tritium fuel has decayed, and parameters related to the implosion hydrodynamic stability. When adjusted for tritium decay and $l$ = 1 mode, the highest yield in OMEGA cryogenic implosions is predicted to exceed 2 × 10 14 fusion reactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Using statistical modeling to predict and understand fusion experiments

Over 300 cryogenic layered direct-drive inertial confinement fusion implosions have been successfully executed on the OMEGA Laser System in the last decade. However, extracting sufficient understanding from these experiments to develop new designs or to identify or mitigate degradation sources remains challenging. Recently, a statistical modeling approach was developed to successfully design and predict improved implosion experiments on OMEGA. Here, we show that one-dimensional simulations can be used to predict the outcomes of systematically perturbed three-dimensional simulations and that this statistical modeling approach can be used to identify or rule out physical mechanisms for some of the degradation sources observed on the OMEGA Laser System for direct-drive cryogenic inertial confinement fusion. In this instance, we investigate the fusion yield dependencies on the ion temperature asymmetries and laser beam size observed in experiments by comparing with trends in three-dimensional synthetic simulation databases. Using the statistical model on these systematically perturbed simulations, we find that the statistically inferred dependency on the measured ion temperature asymmetries is well explained by imposed ℓ =1 modes. However, we find that the dependency on the laser beam size is only dominated by the illumination non-uniformity for some extreme cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Particle transport constraints via Bayesian spectral fitting of multiple atomic lines

Optimized operation of fusion devices demands detailed understanding of plasma transport, a problem that must be addressed with advances in both measurement and data analysis techniques. In this work, we adopt Bayesian inference methods to determine experimental particle transport, leveraging opportunities from high-resolution He-like ion spectra in a tokamak plasma. The Bayesian spectral fitting code is used to analyze resonance (w), forbidden (z), intercombination (x, y), and satellite (k, j) lines of He-like Ca following laser blow-off injections on Alcator C-Mod. This offers powerful transport constraints since these lines depend differently on electron temperature and density, but also differ in their relation to Li-like, He-like, and H-like ion densities, often the dominant Ca charge states over most of the C-Mod plasma radius. Using synthetic diagnostics based on the AURORA package, we demonstrate improved effectiveness of impurity transport inferences when spectroscopic data from a progressively larger number of lines are included.

47 OTHER INSTRUMENTATION↗