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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 OSTI2016

Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

In this paper, the properties of photonic band gaps (PBGs) in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs) under a transverse-magnetic (TM) wave are theoretically investigated by a modified plane wave expansion (PWE) method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

SU-F-I-43: A Software-Based Statistical Method to Compute Low Contrast Detectability in Computed Tomography Images

Purpose: The low contrast detectability (LCD) of a CT scanner is its ability to detect and display faint lesions. The current approach to quantify LCD is achieved using vendor-specific methods and phantoms, typically by subjectively observing the smallest size object at a contrast level above phantom background. However, this approach does not yield clinically applicable values for LCD. The current study proposes a statistical LCD metric using software tools to not only to assess scanner performance, but also to quantify the key factors affecting LCD. This approach was developed using uniform QC phantoms, and its applicability was then extended under simulated clinical conditions. Methods: MATLAB software was developed to compute LCD using a uniform image of a QC phantom. For a given virtual object size, the software randomly samples the image within a selected area, and uses statistical analysis based on Student’s t-distribution to compute the LCD as the minimal Hounsfield Unit’s that can be distinguished from the background at the 95% confidence level. Its validity was assessed by comparison with the behavior of a known QC phantom under various scan protocols and a tissue-mimicking phantom. The contributions of beam quality and scattered radiation upon the computed LCD were quantified by using various external beam-hardening filters and phantom lengths. Results: As expected, the LCD was inversely related to object size under all scan conditions. The type of image reconstruction kernel filter and tissue/organ type strongly influenced the background noise characteristics and therefore, the computed LCD for the associated image. Conclusion: The proposed metric and its associated software tools are vendor-independent and can be used to analyze any LCD scanner performance. Furthermore, the method employed can be used in conjunction with the relationships established in this study between LCD and tissue type to extend these concepts to patients’ clinical CT images.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

WE-H-BRC-06: A Unified Machine-Learning Based Probabilistic Model for Automated Anomaly Detection in the Treatment Plan Data

Purpose: The purpose of this work was to investigate the ability of a machine-learning based probabilistic approach to detect radiotherapy treatment plan anomalies given initial disease classes information. Methods In total we obtained 1112 unique treatment plans with five plan parameters and disease information from a Mosaiq treatment management system database for use in the study. The plan parameters include prescription dose, fractions, fields, modality and techniques. The disease information includes disease site, and T, M and N disease stages. A Bayesian network method was employed to model the probabilistic relationships between tumor disease information, plan parameters and an anomaly flag. A Bayesian learning method with Dirichlet prior was useed to learn the joint probabilities between dependent variables in error-free plan data and data with artificially induced anomalies. In the study, we randomly sampled data with anomaly in a specified anomaly space.We tested the approach with three groups of plan anomalies – improper concurrence of values of all five plan parameters and values of any two out of five parameters, and all single plan parameter value anomalies. Totally, 16 types of plan anomalies were covered by the study. For each type, we trained an individual Bayesian network. Results: We found that the true positive rate (recall) and positive predictive value (precision) to detect concurrence anomalies of five plan parameters in new patient cases were 94.45±0.26% and 93.76±0.39% respectively. To detect other 15 types of plan anomalies, the average recall and precision were 93.61±2.57% and 93.78±3.54% respectively. The computation time to detect the plan anomaly of each type in a new plan is ∼0.08 seconds. Conclusion: The proposed method for treatment plan anomaly detection was found effective in the initial tests. The results suggest that this type of models could be applied to develop plan anomaly detection tools to assist manual and automated plan checks. The senior author received research grants from ViewRay Inc. and Varian Medical System.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A software‐defined networks ‐based measurement method of network traffic for 6G technologies

Abstract In software‐defined networks (SDN) for 6G technologies, the controller should accurately and efficiently measure the flow traffic in switches for traffic engineering. Fine‐grained flow measurement can more accurately describe the traffic in the network, but it also consumes much more resources. To reduce the overhead incurred in the measurement process and obtain the approximate fine‐grained measurements, we propose a novel lightweight measurement scheme that runs in the controller. The novel lightweight measurement architecture consists of two parts: coarse‐grained measurement and interpolation‐optimization. In the first part, based on the SDN architecture, we use the pull‐based random sampling method to quickly obtain the coarse‐grained measurement of flow traffic through OpenFlow protocol. In the second part, we insert some discrete values into the coarse‐grained measurement with the interpolation theory, then we optimize interpolation results until finding the optimal fine‐grained flow traffic measurement by utilizing the multiconstraint method. We verified the feasibility of the proposed measurement method, and simulation results show that the measurement error of the proposed method is under 25%, but the flow measurement overhead of this method occupies only 3.3% compared with that of the fine‐grained method.

Huo, Liuwei↗
DOE OSTI2023

HopBox: An image analysis pipeline to characterize hop cone morphology

Abstract Hop cone morphology can influence picking and drying ability, and color can impact consumer preference and may be indicative of quality. However, these characteristics are not generally evaluated in hop breeding programs due to the tedious nature of trait quantification and the extensive variation among cones within a genotype. We developed the HopBox, which is a simply constructed light box with a camera mount, and a publicly available image processing pipeline that identifies hop cones within color‐corrected images, reads a QR code within the image, and outputs data on hop cone length, width, area, perimeter, openness, weight, color, and density. The trained model was applied to images of 500 cones each from 15 replicated advanced hop genotypes from the USDA‐ARS breeding program in Prosser, Washington. Analysis of variance revealed significant ( p < 0.001) differences between genotypes for all traits measured, enabling breeders to discriminate between genotypes for selection purposes. Broad sense heritability for all traits ranged from 0.23 to 0.59. A random sampling of hop cones from the complete dataset revealed that imaging only 5–10 cones adequately captured genotypic variation and provided acceptable rank correlations ( r s > 0.75); however, increasing the sample size to 30 provided optimal precision. Instructions for constructing a HopBox and the code for the analysis pipeline are publicly available online and have wide applicability for hop breeding and research.

Altendorf, Kayla R.↗
DOE OSTI2019

Percutaneous Laser Ablation of Liver Metastases from Neuroendocrine Neoplasm. A Retrospective Study for Safety and Effectiveness

Purpose: To retrospectively assess safety and efficacy of laser ablation (LA) of multiple liver metastases (LM) from neuroendocrine neoplasms (NEN). Methods: Twenty-one patients with NEN and at least 3 LM ≤ 4 cm in diameter underwent ultrasonography-guided LA. Up to seven LM were ablated in a single session; if the number of LM exceeded seven, the remaining LM were ablated in further LA sessions with a time interval of 3–4 weeks. LA was performed according to the multifiber technique. The patients underwent contrast-enhanced CT 1 month after LA, and were subsequently monitored every 3 months for the first 2 years and then every 6 months. Results: In total, 189 LM were treated in 21 patients (mean 9 ± 8.2, median 6) in 41 LA sessions (range 1–5). The diameter of LM ranged from 5 to 35 mm (median 19 mm, mean 17.9 ± 6.4 mm). One grade 4 complication occurred (0.53%): a bowel perforation managed by surgery. Technical efficacy was 100%, primary efficacy rate 94.7%, and secondary efficacy rate 100%. Complete relief of hormone-related symptoms was obtained in all the 13 symptomatic patients. Median follow-up was 39 months (range 12–99). 1-, 2-, 3-, and 5-year survival rates were 95%, 86%, 66%, and 40%, respectively. Overall survival resulted higher for patients with Ki-67 expression ≤ 7% than for those with Ki-67 > 7% (p = 0.0347). Conclusions: LA is a promising and safe technique to treat LM from NEN. A longer follow-up should provide definitive information on the long-term efficacy of this liver-directed therapy. Level of Evidence: Retrospective study, local non-random sample, level 3.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Risk Assessment of Hydrogen Fuel Cell Electric Vehicles in Tunnels

The need to understand the risks and implications of traffic incidents involving hydrogen fuel cell electric vehicles in tunnels is increasing in importance with higher numbers of these vehicles being deployed. A risk analysis was performed to capture potential scenarios that could occur in the event of a crash and provide a quantitative calculation for the probability of each scenario occurring, with a qualitative categorization of possible consequences. The risk analysis was structured using an event sequence diagram with probability distributions on each event in the tree and random sampling was used to estimate resulting probability distributions for each end-state scenario. Here, the most likely consequence of a crash is no additional hazard from the hydrogen fuel (98.1–99.9% probability) beyond the existing hazards in a vehicle crash, although some factors need additional data and study to validate. These scenarios include minor crashes with no release or ignition of hydrogen. When the hydrogen does ignite, it is most likely a jet flame from the pressure relief device release due to a hydrocarbon fire (0.03–1.8% probability). This work represents a detailed assessment of the state-of-knowledge of the likelihood associated with various vehicle crash scenarios. This is used in an event sequence framework with uncertainty propagation to estimate uncertainty around the probability of each scenario occurring.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Dimension-adaptive machine learning-based quantum state reconstruction

Here, we introduce an approach for performing quantum state reconstruction on systems of n qubits using a machine learning-based reconstruction system trained exclusively on m qubits, where m ≥ n. This approach removes the necessity of exactly matching the dimensionality of a system under consideration with the dimension of a model used for training. We demonstrate our technique by performing quantum state reconstruction on randomly sampled systems of one, two, and three qubits using machine learning-based methods trained exclusively on systems containing at least one additional qubit. The reconstruction time required for machine learning-based methods scales significantly more favorably than the training time; hence this technique can offer an overall saving of resources by leveraging a single neural network for dimension-variable state reconstruction, obviating the need to train dedicated machine learning systems for each Hilbert space.

42 ENGINEERING↗
DOE OSTI2017

A computational study of yttria-stabilized zirconia: I. Using crystal chemistry to search for the ground state on a glassy energy landscape

Yttria-stabilized zirconia (YSZ), a ZrO 2 -Y 2 O 3 solid solution that contains a large population of oxygen vacancies, is widely used in energy and industrial applications. Past computational studies correctly predicted the anion diffusivity but not the cation diffusivity, which is important for material processing and stability. One of the challenges lies in identifying a plausible configuration akin to the ground state in a glassy landscape. This is unlikely to come from random sampling of even a very large sample space, but the odds are much improved by incorporating packing preferences revealed by a modest sized configurational library established from empirical potential calculations. Ab initio calculations corroborated these preferences, which prove remarkably robust extending to the fifth cation-oxygen shell about 8 Å away. Yet because of frustration there are still rampant violations of packing preferences and charge neutrality in the ground state, and the approach toward it bears a close analogy to glass relaxations. Fast relaxations proceed by fast oxygen movement around cations, while slow relaxations require slow cation diffusion. The latter is necessarily cooperative because of strong coupling imposed by the long-range packing preferences.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Active learning for the design of polycrystalline textures using conditional normalizing flows

Generative modeling has opened new avenues for solving previously intractable materials design problems. However, these new opportunities are accompanied by a drastic increase in the required amount of training data. This is in stark juxtaposition to the high expense and difficulty in curating such large materials datasets. In this work, we propose a novel framework for integrating generative models within an active learning loop. Further, this enables the training of generative models with datasets significantly smaller than what has previously been demonstrated, providing a direct route for their application in data constrained environments. The functionality of this framework is then demonstrated by addressing the challenge of designing polycrystalline textures associated with target anisotropic mechanical properties. The developed protocol exhibited a cost reduction between 14 to 18 times over a randomly sampled experimental design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Uncertainty quantification of a physics-informed model based on sparse identification of a Thermal Energy Distribution System

Integrated energy systems (IES)s are crucial for enhancing the economy and efficiency of power generation sources (e.g., nuclear energy) necessary to unleash American energy dominance. These systems can be integrated with thermal energy storage (TES) and intermittent renewable energies to optimize overall energy use, peak-load regulation, and demand-side responses. However, the stabilization of energy generation, transport, and utilization introduces operational complexities that exceed the challenges of managing each sub-component individually. Currently, though IESs rely on human operators for efficiency and stability, reducing human error risk and enhancing performance through automation is highly desirable. Recent advances at Idaho National Laboratory have demonstrated successful control of the Thermal Energy Distributed System (TEDS). However, the automatic control system depends on a deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC) model, which are trained based on simulation data from physics-based simulations. Because of uncertainties in physics-based simulation, SINDyC model results in large discrepancies against experimental data and cannot be reliably used in automatic control. In this paper, we present an innovative approach to address these discrepancies by quantifying uncertainties and developing a more robust model. We first generated trajectories by using first-principles physics codes to encapsulate the experiment. Next, we trained thousands of models by randomly sampling these trajectories. We then collapsed all those models into one probabilistic SINDyC by fitting a multivariate Gaussian distribution onto the resulting coefficient’s distribution. Despite its simplicity, our approach successfully produced 95% confidence intervals that captured the experimental trajectories. It even did so with a higher probability and better U-pooling score across six of the seven relevant quantities of interest (QoIs), as compared to other classical approaches. In conclusion, ongoing research is focusing on generating new experimental trajectories to validate this approach, and on employing Bayesian calibration to refine parametric uncertainties and guide future model development efforts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Piston geometry and stroke optimization for high efficiency propane spark ignition engines

Propane has unique properties and offers interesting characteristics for high-efficiency spark ignition engines. Its high volatility reduces or completely eliminates fuel-wall wetting and facilitates fuel air mixing. Furthermore, propane has a research octane number of 112 and a high octane sensitivity of 15. Finally, its laminar flame speed is on the same order as that of conventional gasoline, and it exhibits high dilution tolerance. Modern spark ignition internal combustion engines rely on fast combustion rates and high dilution to achieve high brake thermal efficiencies. To accomplish this, high stroke-to-bore ratios and high geometric compression ratios have been used in new engine designs. Therefore, propane’s relatively high laminar flame speeds, high knock resistance, and dilution tolerance make it an excellent candidate fuel for modern spark ignition engines. The objective of this work is to co-optimize the piston geometry and the engine stroke to maximize the efficiency of a spark-ignition engine fueled with propane. 3D computational fluid dynamics (CFD) simulations employing the extended coherent flamelet model were used to study the parametric effects of piston shape and stroke length. A piston geometry based on high performing pistons was parameterized using four controlling parameters. The piston geometry and engine stroke design space was explored using deterministic and quasi-random sampling techniques. In conclusion, a Gaussian process regression model was built using the simulation data to explain the results observed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Development of physics-consistent conditional diffusion model to overcome data scarcity in critical heat flux

Deep generative modeling provides a powerful pathway to overcome data scarcity in energy-related applications where experimental data are often limited. By learning the underlying probability distribution of the training dataset, deep generative models, such as the diffusion model, can generate high-fidelity synthetic samples that statistically resemble the training data. Such synthetic data generation can significantly enrich the size and diversity of the available training data, and more importantly, improve the robustness of downstream machine learning models in predictive tasks. The objective of this paper is to investigate the effectiveness of diffusion models for overcoming data scarcity in nuclear energy applications. By leveraging a public dataset on critical heat flux which covers a wide range of commercial nuclear reactor operational conditions, we developed a diffusion model that can generate an arbitrary amount of synthetic samples. Since a vanilla diffusion model can only generate samples randomly, we also developed a conditional diffusion model capable of generating targeted critical heat flux data under user-specified thermal-hydraulic conditions. The performance of the diffusion model was evaluated based on its ability to capture empirical feature distributions and pair-wise correlations, as well as to maintain physical consistency. The results showed that both the diffusion model and conditional diffusion model can successfully generate realistic and physics-consistent critical heat flux data. Furthermore, uncertainty quantification results demonstrate that the conditional diffusion model is highly effective in augmenting critical heat flux data while maintaining acceptable levels of uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Pressure Monitoring to Detect Fault Rupture Due to CO 2 Injection

The capacity for fault systems to be reactivated by fluid injection is well-known. In the context of CO 2 sequestration, however, the consequence of reactivated faults with respect to leakage and monitoring is poorly understood. Using multi-phase fluid flow simulations, this study addresses key questions concerning the likelihood of ruptures, the timing of consequent upward leakage of CO 2 , and the effectiveness of pressure monitoring in the reservoir and overlying zones for rupture detection. A range of injection scenarios was simulated using random sampling of uncertain parameters. These include the assumed distance between the injector and the vulnerable fault zone, the critical overpressure required for the fault to rupture, reservoir permeability, and the CO 2 injection rate. We assumed a conservative scenario, in which if at any time during the five-year simulations the critical fault overpressure is exceeded, the fault permeability is assumed to instantaneously increase. For the purposes of conservatism we assume that CO 2 injection continues ‘blindly’ after fault rupture. We show that, despite this assumption, in most cases the CO 2 plume does not reach the base of the ruptured fault after 5 years. As a result, one possible implication of this result is that leak mitigation strategies such as pressure management have a reasonable chance of preventing a CO 2 leak.

58 GEOSCIENCES↗
DOE OSTI2016

Metal mixtures in urban and rural populations in the US: The Multi-Ethnic Study of Atherosclerosis and the Strong Heart Study

Background: Natural and anthropogenic sources of metal exposure differ for urban and rural residents. We searched to identify patterns of metal mixtures which could suggest common environmental sources and/or metabolic pathways of different urinary metals, and compared metal-mixtures in two population-based studies from urban/sub-urban and rural/town areas in the US: the Multi-Ethnic Study of Atherosclerosis (MESA) and the Strong Heart Study (SHS). Methods: We studied a random sample of 308 White, Black, Chinese-American, and Hispanic participants in MESA (2000–2002) and 277 American Indian participants in SHS (1998–2003). We used principal component analysis (PCA), cluster analysis (CA), and linear discriminant analysis (LDA) to evaluate nine urinary metals (antimony [Sb], arsenic [As], cadmium [Cd], lead [Pb], molybdenum [Mo], selenium [Se], tungsten [W], uranium [U] and zinc [Zn]). For arsenic, we used the sum of inorganic and methylated species (∑As). Results: All nine urinary metals were higher in SHS compared to MESA participants. PCA and CA revealed the same patterns in SHS, suggesting 4 distinct principal components (PC) or clusters (∑As-U-W, Pb-Sb, Cd-Zn, Mo-Se). In MESA, CA showed 2 large clusters (∑As-Mo-Sb-U-W, Cd-Pb-Se-Zn), while PCA showed 4 PCs (Sb-U-W, Pb-Se-Zn, Cd-Mo, ∑As). LDA indicated that ∑As, U, W, and Zn were the most discriminant variables distinguishing MESA and SHS participants. Conclusions: In SHS, the ∑As-U-W cluster and PC might reflect groundwater contamination in rural areas, and the Cd-Zn cluster and PC could reflect common sources from meat products or metabolic interactions. Among the metals assayed, ∑As, U, W and Zn differed the most between MESA and SHS, possibly reflecting disproportionate exposure from drinking water and perhaps food in rural Native communities compared to urban communities around the US. - Highlights: • We identified and compared environmental sources of urinary metals in MESA and SHS. • ∑As-U-W in SHS may reflect groundwater contamination in rural areas. • Cd-Zn in SHS may reflect common sources from meat products or metabolic interaction. • ∑As, U, W, and Zn differed the most between MESA and SHS participants.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Multi-stage heat release of multi-component fuels: Insights and implications for advanced engine operation

Multi-stage heat release (MSHR) is a unique phenomenon typically seen in lean/diluted and low- to intermediate-temperature combustion. Despite its relevance to advanced engine operation, the MSHR of multi-component fuels has barely been quantified. This study aims to characterize the MSHR of multi-component fuels in a rapid compression machine (RCM) at conditions representative of advanced combustion engines. New experimental data are first reported in the RCM at an equivalence ratio of 0.4, pressure of 60 bar and temperatures from 702 to 795 K for a research grade, multi-component gasoline surrogate, termed PACE-20. Here, experiments confirm the existence of MSHR for PACE-20 at all temperatures, and reveal the strong inhibiting effect of temperature on MSHR, where increasing temperature inhibits MSHR by suppressing first stage heat release and promoting second and third stage heat release. A detailed chemical kinetic model is also adopted to model the experiments, with good agreement observed. The response of MSHR characteristics to changes in different engine operating parameters (i.e., temperature, pressure, equivalence ratio and CO 2 dilution level) and fuel compositions (i.e., mole fraction of n-pentane, n-heptane, isooctane, cyclopentane, 1-hexene, ethanol and aromatics in PACE-20) is further evaluated via statistical analysis coupling quasi-random sampling, extensive computer experiments and high-dimensional model representation. The change in MSHR is characterized through 8 quantities of interest (QOIs), i.e., duration and extent of each heat release stage, and their standard deviations. The analysis highlights the dependence of the QOIs on the individual parameters as well as their interplays, with temperature exhibiting the strongest impact among all parameters. Furthermore, it is demonstrated that if MSHR is to be facilitated and combustion phasing is to be extended to enable engine operation at higher compression ratios, it is recommended to operate the engine at low intake temperatures, boosted intake pressures and high CO 2 dilutions (i.e., high EGR levels) with gasoline fuels containing more n-pentane and less aromatics.

42 ENGINEERING↗