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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Inhomogeneous mean-field approach to collective excitations near the superfluid–Mott glass transition

Highlights: • Unconventional collective excitations across the superfluid–Mott glass transition. • Higgs mode localized in superfluid and insulating phases. • Broad uncritical amplitude response function at quantum phase transition. • Goldstone mode delocalizes in the superfluid phase. We develop an inhomogeneous quantum mean-field approach to the behavior of collective excitations across the superfluid–Mott glass quantum phase transition in two dimensions, complementing recent quantum Monte Carlo simulations (Puschmann et al. 2020). In quadratic (Gaussian) approximation, the Goldstone (phase) and Higgs (amplitude) modes completely decouple. Each is described by a disordered Bogoliubov Hamiltonian which can be solved by an inhomogeneous multi-mode Bogoliubov transformation. We find that the Higgs mode is spatially localized in both phases. The corresponding scalar spectral function shows a broad peak that is noncritical in the sense that its peak frequency does not soften but remains nonzero across the quantum phase transition. In contrast, the lowest-energy Goldstone mode delocalizes in the superfluid phase, leading to a zero-frequency spectral peak. We compare these findings to the results of the quantum Monte Carlo simulations. We also relate them to general results on the localization of bosonic excitations, and we discuss the limits and generality of our approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Variational Monte Carlo calculations of n + H 3 scattering

A paramount goal in nuclear physics is to unify ab initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound-state calculations in light systems but have seen minimal implementation in unbound systems. Here, we introduce a numerical method to improve the efficiency and accuracy of unbound-state calculations in QMC. As an initial application, we compute scattering observables for the smallest system available to probe three-body forces, the neutron-triton system, using variational Monte Carlo (VMC) wave functions. The method involves inferring long-range amplitudes in the wave function from integrals over the short-range region where all the particles interact. This approach using integral relations is well established in the literature; here, we develop it for the QMC framework. We validate our approach with a consistency check between short-range spectroscopic overlap functions computed from direct evaluation and from the integral relations; scattering amplitudes are long-range asymptotics of those overlaps. Comparison against published benchmark calculations using the same potential demonstrates that when applied to the current VMC wave functions, the integral method produces more accurate scattering observables than direct evaluation from the same variational wave function. However, it still differs noticeably from the exact results. Using additional interactions, we then present phase shifts and mixing parameters for the n + 3 H system. In particular, we present one of the first applications of the Norfolk family of local coordinate-space chiral potentials in unbound systems of A > 2. The Norfolk results accurately describe s-wave scattering but predict p-wave cross sections too large. Compared with previous QMC scattering calculations, the integral method avoids difficulties associated with the precise computation of energy differences and with convergence outside the interaction region, which is particularly severe in the variational calculation. Application of the integral method here paves the way for its use in Green's function Monte Carlo (GFMC) calculations. In GFMC, the wave functions are more accurate, but the high-precision convergence of their tails is slow, and there are additional difficulties in reading out amplitudes. Here, the integral methods will address both of those remaining problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1995

X-ray microscope for solidification studies

This report covers the second 6 month period for the year March 1, 1994 to February 28, 1995. The material outlined in this semi-annual report continues from the previous semi-annual report. The Fein Focus Inc. x-ray source was delivered in September and coincides with the beginning of the second 6 month effort. As a result, and as outlined in the statement of work, this period was dedicated to the evaluation, testing and calibration of the x-ray source. In addition, in this period the modeling effort was continued and extended by the Tiger series of Monte-Carlo simulation programs for photon and electron interactions with materials obtained from the Oak Ridge RISC Library. Some further calculations were also made with the absorption model.

Kaukler, William↗
NASA NTRS1995

Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

Hedahl, Marc O.↗
NASA NTRS1992

The statistical analysis of circadian phase and amplitude in constant-routine core-temperature data

Accurate estimation of the phases and amplitude of the endogenous circadian pacemaker from constant-routine core-temperature series is crucial for making inferences about the properties of the human biological clock from data collected under this protocol. This paper presents a set of statistical methods based on a harmonic-regression-plus-correlated-noise model for estimating the phases and the amplitude of the endogenous circadian pacemaker from constant-routine core-temperature data. The methods include a Bayesian Monte Carlo procedure for computing the uncertainty in these circadian functions. We illustrate the techniques with a detailed study of a single subject's core-temperature series and describe their relationship to other statistical methods for circadian data analysis. In our laboratory, these methods have been successfully used to analyze more than 300 constant routines and provide a highly reliable means of extracting phase and amplitude information from core-temperature data.

NASA Discipline Regulatory Physiology↗
DOE OSTI2020

Risk Assessment of Rare Events in Probabilistic Power Flow via Hybrid Multi-Surrogate Method

The risks associated with rare events threatening the security of power system operation are of paramount importance to power system planners and operators. To analyze the risks caused by high-impact, low-frequency rare events, an immensely large number of samples are typically required for the Monte-Carlo (MC) method on the high-fidelity power system model to achieve a sufficient accuracy, thereby rendering this approach computationally prohibitive. To handle this problem efficiently, it is desirable to construct a surrogate model for the power system response. However, the straightforward MC sampling of the low-fidelity surrogate can lead to biased results in the low-probability tail regions that are vital to risk assessment. Moreover, a single surrogate is unable to handle the topology uncertainties caused by random branch outages. To overcome these issues, we propose a hybrid multi-surrogate (HMS) method based on the polynomial chaos expansion (PCE) with low-probability tail events reevaluated by the high-fidelity model through a probabilistic analysis. This method improves the computational efficiency of the MC method for rare-event risk assessment by leveraging multi-fidelity models while retaining the desired accuracy. Simulations conducted in three test systems verify the excellent performances of the HMS method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Field Measurement and Analysis of Frequency and RoCoF for Low-Inertia Power Systems

The frequency measurement and rate of change of frequency (RoCoF) calculations are important for active power, frequency control, and frequency-related protection in power system operations. With the rapid decrease in inertia under modern power systems, however, multiple power variations introduced by variable renewable energy bring large RoCoF and introduce oscillations in frequency measurements. To shed light on this issue, this article proposes a frequency measurement and RoCoF analysis technology, as well as the sensitivity analysis for the real low-inertia power grid. First, a real-world event in an island power grid is analyzed as an example, and an event numerical model is estimated considering four uncertainties, including event RoCoF, oscillation magnitude, oscillation frequency, and underfrequency load-shedding threshold. Then, a sensitivity analysis is performed using the Sobol indices method and quasi-Monte Carlo simulations to identify the dominant uncertainties based on the event model. Here, the dominant uncertainties are compared to provide a guideline for the frequency estimation algorithm selection under different event cases. This algorithm is compared with an enhanced zero-crossing algorithm and gives a 3.41% better RoCoF error rate. Finally, an experiment is conducted using universal grid analyzers to validate the simulation results and the theoretical analysis.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2018

6DOF Testing of the SLS Inertial Navigation Unit

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). Because the navigation architecture for the SLS Block 1 vehicle is a purely inertial system, the accuracy of the achieved orbit relative to mission requirements is very sensitive to initial alignment accuracy. The assessment of this sensitivity and many others via simulation is a part of the SLS Model-Based Design and Model-Based Requirements approach. As a part of the aforementioned, 6DOF Monte Carlo simulation is used in large part to develop and demonstrate verification of program requirements. To facilitate this and the GN&C flight software design process, an SLS-Program-controlled Design Math Model (DMM) of the SLS INS was developed by the SLS Navigation Team. The SLS INS model implements all of the key functions of the hardware-namely, GCA, inertial navigation, and FDIR (Fault Detection, Isolation, and Recovery)-in support of SLS GN&C design requirements verification. Despite the strong sensitivity to initial alignment, GCA accuracy requirements were not verified by test due to program cost and schedule constraints. Instead, the system relies upon assessments performed using the SLS INS model. In order to verify SLS program requirements by analysis, the SLS INS model is verified and validated against flight hardware. In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Geohagan, Kevin↗
NASA NTRS1993

PDF approach for compressible turbulent reacting flows

The objective of the present work is to develop a probability density function (pdf) turbulence model for compressible reacting flows for use with a CFD flow solver. The probability density function of the species mass fraction and enthalpy are obtained by solving a pdf evolution equation using a Monte Carlo scheme. The pdf solution procedure is coupled with a compressible CFD flow solver which provides the velocity and pressure fields. A modeled pdf equation for compressible flows, capable of capturing shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed, and an averaging procedure is developed to provide smooth Monte-Carlo solutions to ensure convergence. Two supersonic diffusion flames are studied using the proposed pdf model and the results are compared with experimental data; marked improvements over CFD solutions without pdf are observed. Preliminary applications of pdf to 3D flows are also reported.

Hsu, A. T.↗
DOE OSTI2021

Superconductivity, charge density waves, and bipolarons in the Holstein model

The electron-phonon ( e-ph ) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge density waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate e-ph coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Autoregressive neural quantum states of Fermi Hubbard models

Neural quantum states (NQSs) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the Fermi-Hubbard and the (non-Hermitian) Hatano-Nelson-Hubbard models in one and two dimensions. In both cases, we observe that the convergence of the RNN ansatz is challenged when increasing the interaction strength. We present a physically motivated and easy-to-implement strategy for improving the optimization, namely, by ramping of the model parameters. Furthermore, we investigate the advantages and disadvantages of the autoregressive sampling property of both network architectures. For the Hatano-Nelson-Hubbard model, we identify convergence issues that stem from the autoregressive sampling scheme in combination with the non-Hermitian nature of the model. Our findings provide insights into the challenges of the NQS approach and make the first step towards exploring strongly correlated electrons using this ansatz. Published by the American Physical Society 2025

Ibarra-García-Padilla, Eduardo (ORCID:000000019165↗
DOE OSTI2019

Deep Direct-Use Feasibility Study Temperature-Depth Estimates for West Virginia University, Morgantown, WV

This dataset contains data spreadsheets and figures that summarize the results of a stochastic analysis of temperatures at depth below the West Virginia University campus in Morgantown, WV. These results are extracted from a study by Smith (2019), whose results are included in a GDR submission that provides rasters and shapefiles for the Appalachian Basin states of New York, Pennsylvania, and West Virginia (GDR submission #1182). Uncertainties considered included geologic properties, thermal properties, and uncertainty from geostatistical interpolation of the surface heat flow. A Monte Carlo analysis of these uncertain properties was used to predict temperatures at depth using a 1-D heat conduction model. For the pixel corresponding to West Virginia University, a .csv file containing the 10,000 temperature-depth profiles estimated from a Monte Carlo analysis is provided. Temperatures are provided for depths from 1-5 km in 0.5 km increments. These data are summarized in a figure containing violin plots that illustrates the probability of obtaining certain temperatures at depth for Morgantown.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

High-Performance Accelerator Modeling: Toward Improving Controls and Diagnostics for High-Brightness Beams in Experiment

One of the main charges of beam physics is to improve the overall beam quality delivered to experiments and applications, which is generally quantified by the beam brightness. High brightness beams have numerous applications, including x-ray free electron lasers and ultrafast electron diffraction (UED). To these ends, this thesis details efforts to use high-performance models --- high-fidelity models that execute quickly --- for controls and diagnostics. To demonstrate the generality of these techniques, this thesis focuses on three of the most successful photoinjector designs currently used worldwide: the UCLA/SLAC/BNL-type high-gradient S-band gun, the continuous-wave high-repetition rate VHF APEX gun and the L-band DESY-PITZ-type gun. Work will be shown from Pegasus (UCLA), HiRES (LBNL) and FAST (FNAL).Specifically, data-driven models for online virtual diagnostics are presented, in this case, in the context of UED at HiRES, leading to a temporal resolution improvement. Methods for improving the fidelity of physics-based models are discussed, with examples at HiRES, Pegasus and FAST. Markov-chain Monte Carlo analysis is applied to match simulations, in the context of photocathode studies at HiRES and Pegasus. Lastly, the augmentation of online model-based predictions with model-independent optimization is explored in a fluctuating environment at Pegasus and HiRES. A central theme of this dissertation is working with parameter fluctuations when modeling an accelerator beamline. Long-term drifts and shot-to-shot jitter exist in every accelerator to a varying degree and therefore play an important role in every chapter of this dissertation. This thesis attempts to address the issues associated with these fluctuations when trying to develop faithful model representations of the system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Prognostic model and failure mechanisms of steam generators in Sodium-Cooled fast reactors

This paper presents a prognostic model for sodium-cooled fast reactor (SFR) steam generators (SGs). Here, the purpose of the model is to estimate the remaining useful life of SFR SGs and thus to support the decision-making of autonomous control. SFR SGs are of great interest for plant integrity due to their harsh operation environment. They operate at higher temperatures and higher coolant-to-steam pressure differences than those of current light water reactors (LWR). The severity of the SFR SG failure consequences, which include water-sodium contact, is another reason. Understanding its failure mechanisms is important for the development of its prognostic model. Based on our literature review and physics-based analysis, we concluded that creep would be a dominant degradation mode of SFR SGs due to SFR’s high-temperature and high-pressure environment. Thus, creep is the focus of the prognostic model. Various other failure modes were also investigated in this study. The mechanical fatigue due to flow-induced vibration is usually observed in early developmental phases and would not be an important issue during normal operation. The thermal fatigue due to thermal stripping is occasionally observed in other components in SFRs but does not affect SG integrity. Pure water stress corrosive crack, fretting, and so on are commonly observed in LWR SGs but are significantly less important in SFR SGs because of the high temperatures, high pressure differences, and chemical properties of liquid sodium. Based on these investigations, a prognostic model focusing on creep failures was developed. It estimates the failure probability profile by sampling the Larson-Miller parameter (LMP) and temperature and associated uncertainties through Monte Carlo methods. Two case studies were presented. The first one demonstrated the model’s capability to calculate the failure probability for a new specimen within a given time. If the tube is working under temperatures of 500C ± 3 and pressures of 15.2 MPa, which leads to LMP of 20,100 ± 50, the failure probabilities within 50, 70, and 90 years are approximately 0.1 %, 3.2 %, and 17.5 %. The second demonstrated how adjusting the workload can help to protect the integrity of the component. For an old tube reaching 99 % of its lifespan, continuing to run at temperatures of 500C ± 3 and LMP of 20,100 ± 50 leads to a failure probability of about 29.0 % within a year. If the temperature is reduced by 5C, the failure probability can be reduced to 2.5 %, and, if the pressure is also reduced such that the LMP is increased by 100, the failure probability can further be reduced to 0.12 %.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Machine learning predictions for local electronic properties of disordered correlated electron systems

We present a scalable machine learning (ML) model to predict local electronic properties such as on-site electron number and double occupation for disordered correlated electron systems. Our approach is based on the locality principle, or the nearsightedness nature, of many-electron systems, which means local electronic properties depend mainly on the immediate environment. A ML model is developed to encode this complex dependence of local quantities on the neighborhood. We demonstrate our approach using the square-lattice Anderson-Hubbard model, which is a paradigmatic system for studying the interplay between Mott transition and Anderson localization. We develop a lattice descriptor based on the group-theoretical method to represent the on-site random potentials within a finite region. The resultant feature variables are used as input to a multilayer fully connected neural network, which is trained from data sets of variational Monte Carlo (VMC) simulations on small systems. We show that the ML predictions agree reasonably well with the VMC data. Our work underscores the promising potential of ML methods for multiscale modeling of correlated electron systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Applying Constrained Bayesian Optimization to the Design of Critical Experiments

Often when planning a criticality experiment, many design configurations are iteratively investigated with a Monte Carlo transport code. The goal is that the experiment will be optimal with respect to some variable, like the fraction of fissions occurring at a certain energy range, while simultaneously being critical. Unfortunately, the Monte Carlo transport simulations are expensive, which can ultimately limit the number of configurations that can be explored. In this work, we present how Gaussian processes (GPs) can be used as a reduced-order model in a constrained Bayesian optimization (CBO) algorithm to design a criticality experiment. The GPs replace the Monte Carlo transport simulations that explore the design space. The CBO algorithm efficiently identifies new points in the design space to run the Monte Carlo transport code while respecting the criticality constraint. It does so in a manner that both improves the accuracy of the GP and finds the approximate global optimum. We demonstrate the performance of CBO with the design of a Thermal Epithermal eXperiment (TEX) for the criticality safety validation of nuclear waste models of the Hanford Tank Farm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2004

Radiolytic Model for Chemical Composition of Europa's Atmosphere and Surface

The overall objective of the present effort is to produce models for major and selected minor components of Europa s neutral atmosphere in 1-D versus altitude and in 2-D versus altitude and longitude or latitude. A 3-D model versus all three coordinates (alt, long, lat) will be studied but development on this is at present limited by computing facilities available to the investigation team. In this first year we have focused on 1-D modeling with Co-I Valery Shematovich s Direct Simulation Monte Carlo (DSMC) code for water group species (H2O, O2, O, OH) and on 2-D with Co-I Mau Wong's version of a similar code for O2, O, CO, CO2, and Na. Surface source rates of H2O and O2 from sputtering and radiolysis are used in the 1-D model, while observations for CO2 at the Europa surface and Na detected in a neutral cloud ejected from Europa are used, along with the O2 sputtering rate, to constrain source rates in the 2-D version. With these separate approaches we are investigating a range of processes important to eventual implementation of a comprehensive 3-D atmospheric model which could be used to understand present observations and develop science requirements for future observations, e.g. from Earth and in Europa orbit. Within the second year we expect to merge the full water group calculations into the 2-D version of the DSMC code which can then be extended to 3-D, pending availability of computing resources. Another important goal in the second year would be the inclusion of sulk and its more volatile oxides (SO, SO2).

Cooper, John F.↗
DOE OSTI2022

A Hydro-based MCMC Analysis of SNR 0509–67.5: Revealing the Explosion Properties from Fluid Discontinuities Alone

Using Hubble Space Telescope/ACS Hα images of SNR 0509–67.5 taken ~10 yr apart, we measure the forward shock (FS) proper motions (PMs) at 231 rim locations. The average shock radius and velocity are 3.66 ± 0.036 pc and 6315 ± 310 km s –1 . Hydrodynamic simulations, recast as similarity solutions, provide models for the supernova remnant’s expansion into a uniform ambient medium. These are coupled to a Markov chain Monte Carlo (MCMC) analysis to determine explosion parameters, constrained by the FS measurements. For our baseline model, the MCMC posteriors yield an age of 315.5 ± 1.8 yr, a dynamical explosion center at 5 h 09 m 31. s 16, $-67^\circ 31^{\prime} 17\buildrel{\prime\prime}\over{.} 1$ and ambient medium densities at each azimuth ranging over 3.7–8.0 × 10 –25 g cm –3 . The age uncertainty can be an order of magnitude larger when considering other models, or subsets of the data. We detect stellar PMs corresponding to speeds in the Large Magellanic Cloud ≥ 770 km s –1 . Five stars in the remnant show measurable PMs but none are moving radially from the dynamical center. There are four stars 1."4 from the center, including three faint, previously unidentified ones. Using coronal [Fe XIV ] λ5303 emission as a proxy for the reverse shock location, we constrain the explosion energy (for a compression factor of 4) to a value of E = (1.30 ± 0.41) × 10 51 erg for the first time from shock kinematics alone. Higher compression factors (7 or more) are strongly disfavored based on multiple criteria, arguing for inefficient particle acceleration in the Balmer shocks of SNR 0509–67.5.

79 ASTRONOMY AND ASTROPHYSICS↗