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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Systematic KMTNet Planetary Anomaly Search. I. OGLE-2019-BLG-1053Lb, a Buried Terrestrial Planet

In order to exhume the buried signatures of “missing planetary caustics” in Korea Microlensing Telescope Network (KMTNet) data, we conducted a systematic anomaly search of the residuals from point-source point-lens fits, based on a modified version of the KMTNet EventFinder algorithm. This search revealed the lowest-mass-ratio planetary caustic to date in the microlensing event OGLE-2019-BLG-1053, for which the planetary signal had not been noticed before. The planetary system has a planet–host mass ratio of q = (1.25 ± 0.13) × 10{sup -5}. A Bayesian analysis yielded estimates of the mass of the host star, M{sub host}=0.61{sub -0.24}{sup +0.29} M{sub ⊙}, the mass of its planet, M{sub planet}=2.48{sub -0.98}{sup +1.19} M{sub ⊕}, the projected planet–host separation, a{sub ⊥}=3.4{sub -0.5}{sup +0.5} au, and the lens distance, D{sub L}=6.8{sub -0.9}{sup +0.6} kpc. The discovery of this very-low-mass-ratio planet illustrates the utility of our method and opens a new window for a large and homogeneous sample to study the microlensing planet–host mass ratio function down to q ~ 10{sup -5}.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Closed-loop optimization of fast-charging protocols for batteries with machine learning

Simultaneously optimizing many design parameters in time-consuming experiments causes bottlenecks in a broad range of scientific and engineering disciplines. One such example is process and control optimization for lithium-ion batteries during materials selection, cell manufacturing and operation. A typical objective is to maximize battery lifetime; however, conducting even a single experiment to evaluate lifetime can take months to years. Furthermore, both large parameter spaces and high sampling variability necessitate a large number of experiments. As such, the key challenge is to reduce both the number and the duration of the experiments required. Here we develop and demonstrate a machine learning methodology to efficiently optimize a parameter space specifying the current and voltage profiles of six-step, ten-minute fast-charging protocols for maximizing battery cycle life, which can alleviate range anxiety for electric-vehicle users. We combine two key elements to reduce the optimization cost: an early-prediction model, which reduces the time per experiment by predicting the final cycle life using data from the first few cycles, and a Bayesian optimization algorithm, which reduces the number of experiments by balancing exploration and exploitation to efficiently probe the parameter space of charging protocols. Using this methodology, we rapidly identify high-cycle-life charging protocols among 224 candidates in 16 days (compared with over 500 days using exhaustive search without early prediction), and subsequently validate the accuracy and efficiency of our optimization approach. Our closed-loop methodology automatically incorporates feedback from past experiments to inform future decisions and can be generalized to other applications in battery design and, more broadly, other scientific domains that involve time-intensive experiments and multi-dimensional design spaces.

25 ENERGY STORAGE↗
DOE OSTI2024

Toward machine-learning-assisted PW-class high-repetition-rate experiments with solid targets

We present progress in utilizing a machine learning (ML) assisted optimization framework to study the trends in a parameter space defined by spectrally shaped, high-intensity, petawatt-class (8 J, 45 fs) laser pulses interacting with solid targets and give the first simulation-based overview of predicted trends. A neural network (NN) incorporating uncertainty quantification is trained to predict the number of hot electrons generated by the laser–target interaction as a function of pulse shaping parameters. The predictions of this NN serve as the basis function for a Bayesian optimization framework to navigate this space. For post-experimental evaluation, we compare two separate neural network (NN) models. One is based solely on data from experiments, and the other is trained only on ensemble particle-in-cell simulations. Reviewing the predicted and observed trends across the experiment-capable laser parameter search space, we find that both ML models predict a maximal increase in hot electron generation at a level of approximately 12%–18%; however, no statistically significant enhancement was observed in experiments. On direct comparison of the NN models, the average discrepancy is 8.5%, with a maximum of 30%. Since shot-to-shot fluctuations in experiments affect the observations, we evaluate the behavior of our optimization framework by performing virtual experiments that vary the number of repeated observations and the noise levels. Here, we discuss the implications of such a framework for future autonomous exploration platforms in high-repetition-rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Assay-based background projection for the Majorana Demonstrator using Monte Carlo uncertainty propagation

The background index (BI) is an important quantity to project and calculate the half-life sensitivity of neutrinoless double-𝛽 decay (0⁢𝜈⁢𝛽⁢𝛽) experiments. An analysis framework is presented to calculate the BI using the specific activities, masses, and simulated efficiencies of an experiments components as distributions. This Bayesian framework includes a unified approach to combine specific activities from assay. Monte Carlo uncertainty propagation is used to build a BI distribution from the specific activity, mass, and efficiency distributions. This method is applied to the M AJORANA D EMONSTRATOR , which deployed arrays of high-purity Ge detectors enriched in 76 Ge to search for 0⁢𝜈⁢𝛽⁢𝛽. The original assay-based projection is requantified in the new framework, using the as-built geometry of the Demonstrator and additional assay information. While 47% higher than the original projection, the resulting BI of [8.95±0.36]×10 −4 cts/(keVkgyr) from the 232 Th and 238 U decay chains does not account for the higher-than-expected BI observed by the D EMONSTRATOR . Finally, this method enables us to demonstrate the statistical incompatibility between the D EMONSTRATOR 's observed background and the assay results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Targeted materials discovery using Bayesian algorithm execution

Rapid discovery and synthesis of future materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties; however, materials design often requires finding specific subsets of the design space which meet more complex or specialized goals. We present a framework that captures experimental goals through straightforward user-defined filtering algorithms. These algorithms are automatically translated into one of three intelligent, parameter-free, sequential data collection strategies (SwitchBAX, InfoBAX, and MeanBAX), bypassing the time-consuming and difficult process of task-specific acquisition function design. Our framework is tailored for typical discrete search spaces involving multiple measured physical properties and short time-horizon decision making. We demonstrate this approach on datasets for TiO 2 nanoparticle synthesis and magnetic materials characterization, and show that our methods are significantly more efficient than state-of-the-art approaches. Overall, our framework provides a practical solution for navigating the complexities of materials design, and helps lay groundwork for the accelerated development of advanced materials.

42 ENGINEERING↗
DOE OSTI2026

DESI Strong Lens Foundry. I. HST Observations and Modeling with GIGA-Lens

We present the Dark Energy Spectroscopic Instrument (DESI) Strong Lens Foundry. We discovered ∼3500 new strong gravitational lens candidates in the DESI Legacy Imaging Surveys using residual neural networks (ResNet). We observed a subset (51) of our candidates using the Hubble Space Telescope (HST). Except for one ambiguous case, we have confirmed 50 of the 51 candidates to be strong lenses. We also briefly describe spectroscopic follow-up observations by DESI and Keck NIRES programs. From this very rich data set, a number of studies will be carried out, including evaluating the quality of the ResNet search candidates and lens modeling. In this paper, we present our initial effort in these directions. In particular, as a demonstration, we present the lens model for DESI-165.4754−06.0423, with imaging data from HST, and lens and source redshifts from DESI and Keck NIRES, respectively. In this effort, we have applied a fully forward-modeling Bayesian approach (GIGA-Lens), using multiple GPUs, to a strong lens with HST data, and achieved statistical convergence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Multimodality in the Search for New Physics in Pulsar Timing Data and the Case of Kination-amplified Gravitational-wave Background from Inflation

We investigate the kination-amplified inflationary gravitational-wave background (GWB) interpretation of the signal recently reported by various pulsar timing array (PTA) experiments. Kination is a post-inflationary phase in the expansion history dominated by the kinetic energy of some scalar field, characterized by a stiff equation of state w = 1. Within the inflationary GWB model, we identify two modes that can fit the current data sets (NANOGrav and EPTA) with equal likelihood: the kination-amplification (KA) mode and the ordinary, no-kination-amplification (no-KA) mode. The multimodality of the likelihood motivates a Bayesian analysis with nested sampling. We analyze the free spectra of current PTA data and mock free spectra constructed with higher signal-to-noise ratios using nested sampling. The analysis of the mock spectrum designed to be consistent with the best fit to the NANOGrav 15 yr (NG15) data successfully reveals the expected bimodal posterior for the first time while excluding the reheating mode that appears in the fit to the current NG15 data, making a case for our correct and comprehensive treatment of potential multimodal posteriors arising from future PTA data sets. The resultant Bayes factor is $\mathcal{B}$ $\equiv$ Z no–KA /Z KA = 2.9 ± 1.9, indicating comparable statistical significance between the two modes. Given the theoretical model-building challenges of producing highly blue-tilted primordial tensor spectra, the KA mode has the advantage of requiring less blue primordial spectra, compared with the no-KA mode. The synergy between future cosmic microwave background polarization, pulsar timing, and laser interferometer measurements of gravitational waves will help resolve the ambiguity implied by the multimodal posterior in PTA-only searches.

Cosmology↗
DOE OSTI2023

Rapid design of top-performing metal-organic frameworks with qualitative representations of building blocks

Abstract Data-driven materials design often encounters challenges where systems possess qualitative (categorical) information. Specifically, representing Metal-organic frameworks (MOFs) through different building blocks poses a challenge for designers to incorporate qualitative information into design optimization, and leads to a combinatorial challenge, with large number of MOFs that could be explored. In this work, we integrated Latent Variable Gaussian Process (LVGP) and Multi-Objective Batch-Bayesian Optimization (MOBBO) to identify top-performing MOFs adaptively, autonomously, and efficiently. We showcased that our method (i) requires no specific physical descriptors and only uses building blocks that construct the MOFs for global optimization through qualitative representations, (ii) is application and property independent, and (iii) provides an interpretable model of building blocks with physical justification. By searching only ~1% of the design space, LVGP-MOBBO identified all MOFs on the Pareto front and 97% of the 50 top-performing designs for the CO 2 working capacity and CO 2 /N 2 selectivity properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bayesian Optimized Deep Ensemble for Uncertainty Quantification of Deep Neural Networks: a System Safety Case Study on Sodium Fast Reactor Thermal Stratification Modeling

Deep neural networks (DNNs) are increasingly important to scientific computing and engineering system simulations. Accurate uncertainty quantification (UQ) for DNNs is critical in safety-sensitive engineering domains. Traditional Deep Ensemble (DE) methods, while easy to implement, frequently suffer from poorly calibrated uncertainty estimates and limited predictive accuracy due to reliance on fixed architectures with varied weight initializations. To address these issues, we introduce a workflow that combines Bayesian Optimization (BO) and DE. The workflow is modular, scalable, and integrates parallel BO initialized with Sobol sequences to individually optimize the hyperparameters of each ensemble member. This method enhances ensemble diversity, improves predictive accuracy, and provides reliable uncertainty estimates. We evaluate the proposed BODE approach in a sodium fast reactor thermal stratification modeling case study, where we used a densely connected convolutional neural network to predict turbulent viscosity during the reactor transient with consideration of data noise. We benchmark its performance against several optimization approaches, including baseline deep ensemble, evolutionary algorithm-optimized ensemble, ensemble formed via random search combined with greedy selection, and a BO ensemble using random initialization. Here, our results demonstrate superior performance of the developed BODE approach. In noise-free scenarios, BODE notably reduces incorrect aleatoric uncertainty and significantly enhances predictive accuracy. Under conditions of 5% and 10% Gaussian noise, BODE adaptively quantifies uncertainty proportional to data noise, achieving up to an 80% reduction in root mean square error compared to baseline methods and producing well-calibrated prediction intervals.

Bayesian optimization↗
DOE OSTI2023

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effective Field Theory Analysis of CDMSlite Run 2 Data

CDMSlite Run 2 was a search for weakly interacting massive particles (WIMPs) with a cryogenic 600 g Ge detector operated in a high-voltage mode to optimize sensitivity to WIMPs of relatively low mass from 2 - 20 GeV/$c^2$. In this article, we present an effective field theory (EFT) analysis of the CDMSlite Run 2 data using an extended energy range and a comprehensive treatment of the expected background. A binned likelihood Bayesian analysis was performed on the recoil energy data, taking into account the parameters of the EFT interactions and optimizing the data selection with respect to the dominant background components. Energy regions within 5$\sigma$ of known activation peaks were removed from the analysis. The Bayesian evidences resulting from the different operator hypotheses show that the CDMSlite Run 2 data are consistent with the background-only models and do not allow for a signal interpretation assuming any additional EFT interaction. Consequently, upper limits on the WIMP mass and coupling-coefficient amplitudes and phases are presented for each EFT operator. These limits improve previous CDMSlite Run 2 bounds for WIMP masses above 5 GeV/$c^2$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for a Dark Photon and an Invisible Dark Higgs Boson in $μ^+ μ^–$ and Missing Energy Final States with the Belle II Experiment

The dark photon $\textit{A'}$ and the dark Higgs boson $\textit{h'}$ are hypothetical particles predicted in many dark sector models. We search for the simultaneous production of A' and h' in the dark Higgsstrahlung process $e^+e^– → A' h'$ with $A' → μ^+μ^–$ and $\textit{h'}$ invisible in electron-positron collisions at a center-of- mass energy of 10.58 GeV in data collected by the Belle II experiment in 2019. With an integrated luminosity of 8.34 fb –1 , we observe no evidence for signal. We obtain exclusion limits at 90% Bayesian credibility in the range of 1.7-5.0 fb on the cross section and in the range of 1.7 × 10 –8 -200 × 10 –8 on the effective coupling $ε^2 × α_D$ for the $\textit{A'}$ mass in the range of 4.0 GeV/$c^2 < M_{A'}$ < 9.7 GeV/$c^2$ and for the $\textit{h'}$ mass $M_{h'} < M_{A'}$, where $\textit{ε}$ is the mixing strength between the standard model and the dark photon and $α_D$ is the coupling of the dark photon to the dark Higgs boson. Our limits are the first in this mass range. Phtysuc

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Sensitivity of the CUPID experiment to $0\nu \beta \beta$ decay of 100 Mo

CUPID is a next-generation bolometric experiment to search for neutrinoless double-beta decay ($0\nu \beta \beta$ ) of 100 Mo using Li 2 MoO 4 scintillating crystals. It will operate 1596 crystals at ~10 mK in the CUORE cryostat at the Laboratori Nazionali del Gran Sasso in Italy. Each crystal will be facing two Ge-based bolometric light detectors for α rejection. We compute the discovery and the exclusion sensitivity of CUPID to $0\nu \beta \beta$ in a Frequentist and a Bayesian framework. This computation is done numerically based on pseudo-experiments. For the CUPID baseline scenario, with a background and an energy resolution of 1.0 x 10 –4 counts/keV/kg/yr and 5 keV FWHM at the Q-value, respectively, this results in a Bayesian exclusion sensitivity (90% c.i.) of $\hat{T}_{1/2} > 1.6 \times 10^{27} \ \textrm{yr}$, corresponding to the effective Majorana neutrino mass of $\hat{m}_{\beta \beta } < \ 9.6$ – 28 meV. The Frequentist discovery sensitivity (3σ ) is $\hat{T}_{1/2}= 1.0 \times 10^{27} \ \textrm{yr}$, corresponding to $\hat{m}_{\beta \beta }= \ 12$ – 36 meV.

Alfonso, K. [Virginia Polytechnic Institute and St↗
DOE OSTI2021

Commissioning the DIRC Detector and Searching for Axion-like Particles at GlueX

This thesis centers around problems in the study of the strong nuclear force. The GlueX DIRC, a Cherenkov radiation-based detector, was proposed to upgrade the particle identification capability of the GlueX experiment, which aims to perform quantitative tests of Quantum Chromodynamics in the nonperturbative regime by searching for and studying hybrid mesons. This thesis describes the construction, commissioning, reconstruction, and calibration of the GlueX DIRC detector. Originally proposed to solve the strong CP problem, axions and axion-like particles are hypothetical pseudoscalar particles found in many proposed extensions to the Standard Model of particle physics. This thesis presents a search for photoproduction of axion-like particles using data in photon-proton interactions collected by the GlueX experiment at Jefferson Laboratory in the $\gamma\gamma$ and $\pi^+\pi^-\pi^0$ final states of the axion-like particles. In addition, the Monte Carlo modeling of the strong interaction at low energies leads to challenges known as the event generator tuning problem. This thesis presents a novel approach to the Monte Carlo event generator tuning problem using Bayesian optimization.

Yang, Yunjie↗
DOE OSTI2021

Search for double-beta decay of $$\mathrm {^{130}Te}$$ to the $$0^+$$ states of $$\mathrm {^{130}Xe}$$ with CUORE

Abstract The CUORE experiment is a large bolometric array searching for the lepton number violating neutrino-less double beta decay ( $$0\nu \beta \beta $$ 0 ν β β ) in the isotope $$\mathrm {^{130}Te}$$ 130 Te . In this work we present the latest results on two searches for the double beta decay (DBD) of $$\mathrm {^{130}Te}$$ 130 Te to the first $$0^{+}_2$$ 0 2 + excited state of $$\mathrm {^{130}Xe}$$ 130 Xe : the $$0\nu \beta \beta $$ 0 ν β β decay and the Standard Model-allowed two-neutrinos double beta decay ( $$2\nu \beta \beta $$ 2 ν β β ). Both searches are based on a 372.5 kg $$\times $$ × yr TeO $$_2$$ 2 exposure. The de-excitation gamma rays emitted by the excited Xe nucleus in the final state yield a unique signature, which can be searched for with low background by studying coincident events in two or more bolometers. The closely packed arrangement of the CUORE crystals constitutes a significant advantage in this regard. The median limit setting sensitivities at 90% Credible Interval (C.I.) of the given searches were estimated as $$\mathrm {S^{0\nu }_{1/2} = 5.6 \times 10^{24} \, \mathrm {yr}}$$ S 1 / 2 0 ν = 5.6 × 10 24 yr for the $${0\nu \beta \beta }$$ 0 ν β β decay and $$\mathrm {S^{2\nu }_{1/2} = 2.1 \times 10^{24} \, \mathrm {yr}}$$ S 1 / 2 2 ν = 2.1 × 10 24 yr for the $${2\nu \beta \beta }$$ 2 ν β β decay. No significant evidence for either of the decay modes was observed and a Bayesian lower bound at $$90\%$$ 90 % C.I. on the decay half lives is obtained as: $$\mathrm {(T_{1/2})^{0\nu }_{0^+_2} > 5.9 \times 10^{24} \, \mathrm {yr}}$$ ( T 1 / 2 ) 0 2 + 0 ν > 5.9 × 10 24 yr for the $$0\nu \beta \beta $$ 0 ν β β mode and $$\mathrm {(T_{1/2})^{2\nu }_{0^+_2} > 1.3 \times 10^{24} \, \mathrm {yr}}$$ ( T 1 / 2 ) 0 2 + 2 ν > 1.3 × 10 24 yr for the $$2\nu \beta \beta $$ 2 ν β β mode. These represent the most stringent limits on the DBD of $$^{130}$$ 130 Te to excited states and improve by a factor $$\sim 5$$ ∼ 5 the previous results on this process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Improved Limit on Neutrinoless Double-Beta Decay in Te 130 with CUORE

We report new results from the search for neutrinoless double-beta decay in $^{130}$Te with the CUORE detector. This search benefits from a four-fold increase in exposure, lower trigger thresholds and analysis improvements relative to our previous results. We observe a background of $(1.38\pm0.07)\cdot10^{-2}$ counts$/($keV$\cdot$kg$\cdot$yr$)$ in the $0\nu\beta\beta$ decay region of interest and, with a total exposure of 372.5 kg$\cdot$yr, we attain a median exclusion sensitivity of $1.7\cdot10^{25}$ yr. We find no evidence for $0\nu\beta\beta$ decay and set a $90\%$ CI Bayesian lower limit of $3.2\cdot10^{25}$ yr on the $^{130}$Te half-life for this process. In the hypothesis that $0\nu\beta\beta$ decay is mediated by light Majorana neutrinos, this results in an upper limit on the effective Majorana mass of 75-350 meV, depending on the nuclear matrix elements used.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Neutrinoless Double-Beta Decay Investigations of 82Se Using Three Shell Model Hamiltonians

Neutrinoless double-beta decay is considered one of the most promising processes that would help clarify some of the symmetry-breaking problems in our understanding of the observable universe. Recent studies of neutrinoless double-beta decay matrix elements have employed statistical approaches based on modified shell model effective Hamiltonians for 48Ca (Phys. Rev. C 106, 054302 (2022)) and 136Xe (Phys. Rev. C 107, 045501 (2023)). The analyses rely on inducing perturbations in the starting effective Hamiltonians to observe the behavior of a wide range of observables, besides the 0νββ) NME, that are compared with experimental data. Following a Bayesian model averaging approach, the range of probable values for the neutrinoless double-beta decay matrix elements is presented. In this paper, we present a similar study for 82Se, which is described in the same model space as 76Ge that is under experimental observation. Due to its faster calculation time compared to 76Ge, 82Se can be used as an appropriate substitute in our complex statistical study. Using the calculations performed for the statistical analysis of the neutrinoless double-beta decay matrix elements, we also search for the correlations between the observables that we can compare to experimental data.

Science & Technology - Other Topics↗