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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Error Convergence Characterization for Stochastic Transport Methods

There has been increased interest in reliably and efficiently solving engineering systems involving uncertainty in recent years. Characterization of the convergence of errors within the problem, including statistical and bias errors, increases confidence that chosen solution methods are appropriate for a particular problem and quantity of interest (QoI), that implementation errors have not been made, and can aid users or algorithms in solving problems within a tolerance efficiently. We demonstrate a method for characterizing error convergence in a simple stochastic transport problem. Though the approach is applicable to problems with more complicated physics, our simple problem enables analytic QoI solutions so that error convergence behavior and the identification of limiting errors can be presented with high precision. A one-dimensional, two-material, neutral-particle, and absorption-only transport problem involving uniformly distributed uncertain total cross sections is presented. Random sampling (RS) and stochastic collocation (SC) are used as stochastic solvers which sample from the uncertain space and Monte Carlo (MC) transport is employed to solve transport results on the resulting realizations. Probability density functions (PDFs) are created using either RS solutions or samples taken from a polynomial chaos expansion (PCE) constructed with SC solutions. The convergence of each solver is characterized with respect to the QoI against analytic solutions, convergence behavior is used to efficiently solve a QoI within a tolerance, and convergence plots are used to identify dominant solution errors.

42 ENGINEERING↗
DOE OSTI2022

An influence of manufacturing tolerances on Pin-Cell k-infinity of MOX fuel using data from the FUBILA experiment program

An influence of manufacturing tolerances (MTs) was evaluated on the pin-cell k-infinity of MOX fuel through the random sampling of CASMO5 calculations. The data from the FUBILA experiment program was used as the manufacturing parameters. For the uncertainties of element/isotope mass fractions, their covariance matrices were calculated by the generalized least square method. The total k-infinity uncertainty was 120-250 pcm (percent mille). From the breakdown of k-infinity uncertainty per materials, the MTs of fuel pellet had a dominant influence. The individual influences were also evaluated for element/isotope mass fractions, an inner/outer diameter, and a density. Those of element/isotope mass fractions were less than a few dozen pcm. Since the perturbations of fuel pellet diameter and density caused large variations to the total amount of heavy metals and effect of spatial self-shielding, they had a negative correlation with the k-infinity perturbation. On the AG3 (Al-Mg alloy) over-cladding, the inner/outer diameter perturbations had both negative and positive correlations. The negative one was due to decrease in amount of light water and the positive one was due to increase in amount of AG3. Since the effect of neutron slowing-down by light water had a dominant influence, the influence of the former negative correlation was larger than that of the latter positive correlation. It is, therefore, concluded that the consideration of the MTs that had a large influence on the effect of neutron slowing-down is important for precise quantification of the pin-cell k-infinity uncertainty of MOX fuel. (author)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Robust Multi-fidelity Bayesian Optimization with Deep Kernel and Partition

Multi-fidelity Bayesian optimization (MFBO) is a powerful approach that utilizes lowfidelity, cost-effective sources to expedite the exploration and exploitation of a high-fidelity objective function. Existing MFBO methods with theoretical foundations either lack justification for performance improvements over single-fidelity optimization or rely on strong assumptions about the relationships between fidelity sources to construct surrogate models and direct queries to low-fidelity sources. To mitigate the dependency on cross-fidelity assumptions while maintaining the advantages of low-fidelity queries, we introduce a random sampling and partition-based MFBO framework with deep kernel learning. This framework is robust to cross-fidelity model misspecification and explicitly illustrates the benefits of low-fidelity queries. Our results demonstrate that the proposed algorithm effectively manages complex cross-fidelity relationships and efficiently optimizes the target fidelity function.

Zhang, Fengxue [University of Chicago, Illinois, U↗
DOE OSTI2023

A new efficient grain growth model using a random Gaussian-sampled mode filter

This paper presents the use of a Gaussian neighborhood mode filter for predicting grain growth in a manner similar to the solutions obtained by a Monte Carlo Potts model. This flexible grain growth model can quickly utilize modern, computationally optimized data science strategies on graphics processing units to simulate grain growth up to 100 times faster than the state-of-the-art, publicly available Monte Carlo Potts model. We show that, given the correct neighborhood, the mode filter can replicate normal grain growth in two or three dimensions. In addition, the paper briefly demonstrates the ability to model limited anisotropic in grain boundary energy and mobility. Anisotropic grain boundary energy is modeled by defining a weighted mode filter operation. Anisotropic grain boundary mobility is modeled by scaling and orienting the Gaussian neighborhood in a particular direction.

Anisotropy↗
DOE OSTI2023

Eco-Friendly High-Performance Carbon Building Material Development from Coal

The development of eco-friendly high-performance building materials based on coal-derived materials is greatly beneficial for promoting environmental sustainability and the coal industry. This project focused on advancing technology to create innovative and scalable construction materials from two domestic sources: (1) coal-derived pyrolyzed char (PC), and (2) solvent-extracted coal deposit, extracts, and residue (CDER). It aimed to simultaneously develop and produce two types of coal-derived building products: (1) char-based concrete bricks (CCB) for wall construction in buildings, and (2) carbon-based structural units (CSU) intended as alternatives to traditional wood, concrete, or steel framing structures. The project team has successfully developed methods for manufacturing CCB samples. Extensive experiments were conducted to assess various manufacturing techniques for these samples. This included measuring their physical properties such as thermal conductivity (ranging from 0.26 to 0.38 W/mK) and bulk density (ranging from 0.85 to 1.15 g/cm 3 ), along with their mechanical properties (e.g., compressive strength ranging from 14 to 16 MPa at 28 days) for samples with a PC composition of 70%. Quality assurance and quality control tests, focusing on density and compressive strength, were also performed on samples selected randomly from pilot-scale production, and cured for a long term (over three months). The average long-term compressive strength of two randomly selected CCB samples was measured as 15.1 MPa, which was higher than the required target strength of 14 MPa. This indicates that the manufactured CCB samples from the preliminary pilot scale production run have good quality control and long-term strength performance.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. These lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations. Beginning MCNP users are encouraged to review LA-UR-09-00380, "Criticality Calculations with MCNP: A Primer (3nd Edition)" (available at http:// mcnp.lanl.gov under "Reference Collection") prior to the class. No Monte Carlo class can be complete without having students write their own simple Monte Carlo routines for basic random sampling, use of the random number generator, and simplified particle transport simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Spoofing Cross-Entropy Measure in Boson Sampling

Cross-entropy (XE) measure is a widely used benchmark to demonstrate quantum computational advantage from sampling problems, such as random circuit sampling using superconducting qubits and boson sampling (BS). We present a heuristic classical algorithm that attains a better XE than the current BS experiments in a verifiable regime and is likely to attain a better XE score than the near-future BS experiments in a reasonable running time. The key idea behind the algorithm is that there exist distributions that correlate with the ideal BS probability distribution and that can be efficiently computed. The correlation and the computability of the distribution enable us to postselect heavy outcomes of the ideal probability distribution without computing the ideal probability, which essentially leads to a large XE. Our method scores a better XE than the recent Gaussian BS experiments when implemented at intermediate, verifiable system sizes. Much like current state-of-the-art experiments, we cannot verify that our spoofer works for quantum-advantage-size systems. However, we demonstrate that our approach works for much larger system sizes in fermion sampling, where we can efficiently compute output probabilities. Finally, we provide analytic evidence that the classical algorithm is likely to spoof noisy BS efficiently.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

PDE-constrained Optimization under Uncertainty

Uncertainty is pervasive in all science and engineering applications. Incorporating uncertainty in physical models is therefore both natural and vital. In doing so, we often arrive at parametric systems of partial differential equations (PDEs). When passing from simulation to optimization, we obtain (typically nonconvex) infinite-dimensional optimization problems that, upon discretization, result in extremely large-scale nonlinear programs. For example, consider a linear elliptic PDE on a two- dimensional domain with a single random coeffcient. If we sampled the random input with 10,000 realizations of the coeffcient, the resulting optimization problem would have 10,000 PDE constraints. Furthermore, discretizing each PDE with piecewise linear finite elements on a 100X100 uni- form quadrilateral mesh results in 100,000,000 degrees of freedom. As a result, the critical components for ensuring mesh-independent performance of numerical optimization methods in the deterministic setting, for example, solution regularity and generalized differentiability, are even more critical in the stochastic setting.

42 ENGINEERING↗
DOE OSTI2017

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving a mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Efficient Sampling of Complex Interdependent and Multiplex Networks

Efficient sampling of interdependent and multiplex infrastructure networks is critical for effectively applying failure and recovery algorithms in real-world settings, as well as to generate property-preserving reduced-order graph-based ensembles that address topological uncertainties. In this paper, we first explore the performance, i.e. the success in preserving graph properties, of graph sampling algorithms for interdependent and multiplex networks with synthetic and real-world graphs. We simulate sampling algorithms under different parameter settings. These settings include probabilistic graph generators, coupling patterns, and various performance metrics. Our results show that while Random Node and Random Walk sampling algorithms perform best for interdependent networks, Random Edge and Forest Fire sampling algorithms perform best for multiplex networks. Second, we propose and implement a novel similarity-based sampling algorithm for multiplex networks that samples only log(N) number of layers of an N-layer multiplex network while yielding computational savings with performance guarantees. Experimental results show that similarity sampling outperforms complete sampling of all layers while decreasing performance costs from a linear scale to a logarithmic one. Our results also indicate that similarity-based sampling outperforms complete sampling and random selection in nearly all scenarios when tested with real-world data.

Subasi, Omer↗
DOE OSTI2025

Aided Active Learning (AAL) for Enhanced Critical Heat Flux Prediction

Accurate prediction of critical heat flux (CHF) is crucial for the safe and efficient operation of nuclear reactors. Traditional CHF modeling methods often require extensive experimental data, which are hard to obtain. This study introduces the Aided Active Learning (AAL) framework, which strategically minimizes data requirements without sacrificing model accuracy. Unlike conventional Active Learning (AL), AAL introduces an additional step of randomly selecting a subset from the sample pool before applying the query strategy. To evaluate the performance of AAL, two query strategies—uncertainty-based sampling and error-reduction sampling—were evaluated across the following models: random forest (RF), feedforward neural network (FNN), and variational feedforward neural network (vFNN). The proposed framework demonstrated that AAL effectively reduces the number of training samples needed to achieve comparable predictive accuracy. For the RF model, AL required only 710 samples to achieve an R2 score of 0.98, as compared to the 4,785 samples needed by random sampling. Similarly, the FNN model achieved the same R2 score with just 355 samples when using AL, a significant improvement over the 825 samples required by random sampling. In case of uncertainty-based sampling strategy, vFNN attained an R2 of 0.98 with 3,420 samples, reducing the sample requirement by 47% relative to the 6,440 samples needed for random sampling. Its performance suggests that larger training data are required to fully leverage its uncertainty quantification capabilities.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Effects of Changing Hot Rolling Direction on Microstructure, Texture and Mechanical Properties of Cu-2.7Be Sheets

A hot rolling scheme (cross-rolling and unidirectional rolling) was adopted to process Cu-2.7Be sheets used as multiplier dynodes in photomultiplier. The effects of changing rolling direction on microstructure, texture and mechanical properties were studied by a combination of XRD, EBSD and TEM. It was found that higher copper-type texture and lower brass texture intensity were obtained in the ultimately cross-rolling (CR) sheet compared with the unidirectional rolling (UR) sheet.The EBSD results indicated that the grain orientation from mainly 〈101〉 for UR sample turns to random for CR sample. Great enhancements in YS and UTS after unidirectional rolling were attributed to the massive and polygonal γ precipitates. The CR sample exhibited lower anisotropy, because of the increase of S and γ precipitates with spherical and tiny shape.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: Large-scale structure catalogues for cosmological analysis

ABSTRACT We present large-scale structure catalogues from the completed extended Baryon Oscillation Spectroscopic Survey (eBOSS). Derived from Sloan Digital Sky Survey (SDSS) IV Data Release 16 (DR16), these catalogues provide the data samples, corrected for observational systematics, and random positions sampling the survey selection function. Combined, they allow large-scale clustering measurements suitable for testing cosmological models. We describe the methods used to create these catalogues for the eBOSS DR16 Luminous Red Galaxy (LRG) and Quasar samples. The quasar catalogue contains 343 708 redshifts with 0.8 < z < 2.2 over 4808 deg2. We combine 174 816 eBOSS LRG redshifts over 4242 deg2 in the redshift interval 0.6 < z < 1.0 with SDSS-III BOSS LRGs in the same redshift range to produce a combined sample of 377 458 galaxy redshifts distributed over 9493 deg2. Improved algorithms for estimating redshifts allow that 98 per cent of LRG observations result in a successful redshift, with less than one per cent catastrophic failures (Δz > 1000 km s−1). For quasars, these rates are 95 and 2 per cent (with Δz > 3000 km s−1). We apply corrections for trends between the number densities of our samples and the properties of the imaging and spectroscopic data. For example, the quasar catalogue obtains a χ2/DoF = 776/10 for a null test against imaging depth before corrections and a χ2/DoF= 6/8 after. The catalogues, combined with careful consideration of the details of their construction found here-in, allow companion papers to present cosmological results with negligible impact from observational systematic uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Randomized Adiabatic Quantum Linear Solver Algorithm with Optimal Complexity Scaling and Detailed Running Costs

Solving linear systems of equations is a fundamental problem with a wide variety of applications across many fields of science, and there is increasing effort to develop quantum linear solver algorithms. Subaşı et al. [Phys. Rev. Lett. 122, 060504 (2019)] proposed a randomized algorithm inspired by adiabatic quantum computing, based on a sequence of random Hamiltonian simulation steps, with suboptimal scaling in the condition number 𝜅 of the linear system and the target error 𝜖. Here we go beyond these results in several ways. Firstly, using filtering [Lin and Tong, Quantum 4, 361 (2020)] and Poissonization techniques [Cunningham and Roland, ArXiv:2406.03972 (2024)], the algorithm complexity is improved to the optimal scaling 𝑂⁡(𝜅⁢log (1/𝜖))—an exponential improvement in 𝜖, and a shaving of a log 𝜅 scaling factor in 𝜅. Secondly, the algorithm is further modified to achieve constant factor improvements, which are vital as we progress towards hardware implementations on fault-tolerant devices. We introduce a cheaper randomized walk operator method replacing Hamiltonian simulation—which also removes the need for potentially challenging classical precomputations; randomized routines are sampled over optimized random variables; circuit constructions are improved. We obtain a closed formula rigorously upper bounding the expected number of times one needs to apply a block-encoding of the linear system matrix to output a quantum state encoding the solution to the linear system. The upper bound is 837⁢𝜅 at 𝜖 = 10 −10 for Hermitian matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Random On-Board Pixel Sampling (ROPS) X-Ray Camera

Recent advances in compressed sensing theory and algorithms offer new possibilities for high-speed X-ray camera design. In many CMOS cameras, each pixel has an independent on-board circuit that includes an amplifier, noise rejection, signal shaper, an analog-to-digital converter (ADC), and optional in-pixel storage. When X-ray images are sparse, i.e., when one of the following cases is true: (a.) The number of pixels with true X-ray hits is much smaller than the total number of pixels; (b.) The X-ray information is redundant; or (c.) Some prior knowledge about the X-ray images exists, sparse sampling may be allowed. Here we first illustrate the feasibility of random on-board pixel sampling (ROPS) using an existing set of X-ray images, followed by a discussion about signal to noise as a function of pixel size. Next, we describe a possible circuit architecture to achieve random pixel access and in-pixel storage. The combination of a multilayer architecture, sparse on-chip sampling, and computational image techniques, is expected to facilitate the development and applications of high-speed X-ray camera technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗