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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

SUHMO: an adaptive mesh refinement SUbglacial Hydrology MOdel v1.0

Abstract. Water flowing under ice sheets and glaciers can have a strong influence on ice dynamics, particularly through pressure changes, suggesting that a comprehensive ice sheet model should include the effect of basal hydrology. Modeling subglacial hydrology remains a challenge, however, mainly due to the range of spatial and temporal scales involved – from subglacial channels to vast subglacial lakes. Additionally, networks of subglacial drainage channels dynamically evolve over time. To address some of these challenges, we have developed an adaptive mesh refinement (AMR) model based on the Chombo software framework. We extend the model proposed by Sommers et al. (2018) with a small but significant change to accommodate the transition from unresolved to resolved flow features. We handle the strong nonlinearities present in the equations by resorting to an efficient nonlinear full approximation scheme multigrid (FAS-MG) algorithm. We outline the details of the algorithm and present convergence analysis results demonstrating its good performance. Additionally, we present results validating our approach, using test cases from the Subglacial Hydrology Model Intercomparison Project (SHMIP) (de Fleurian et al., 2018). We finish by presenting a more complex, 100 km-by-100 km synthetic test case with peaks and valleys that we use to investigate the effective pressure distribution as the number of AMR levels increases. These preliminary results suggest that a minimum spatial resolution is needed to properly capture channel features, but additional work is required to precisely quantify this and its impact on accurately modeling the coupled ice sheet–hydrology system. The efficiency of our approach, relying on localized refinement, is also demonstrated. Future work will include coupling the SUbglacial Hydrology MOdel (SUHMO) with the BISICLES AMR ice sheet model (Cornford et al., 2013), both built on the same numerical framework.

58 GEOSCIENCES↗
DOE OSTI2020

PtychoShelves , a versatile high-level framework for high-performance analysis of ptychographic data

Over the past decade, ptychography has been proven to be a robust tool for non-destructive high-resolution quantitative electron, X-ray and optical microscopy. It allows for quantitative reconstruction of the specimen's transmissivity, as well as recovery of the illuminating wavefront. Additionally, various algorithms have been developed to account for systematic errors and improved convergence. With fast ptychographic microscopes and more advanced algorithms, both the complexity of the reconstruction task and the data volume increase significantly. PtychoShelves is a software package which combines high-level modularity for easy and fast changes to the data-processing pipeline, and high-performance computing on CPUs and GPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Scalable Linked Dynamic Equilibrium (SLiDE)

SLiDE (Scalable Linked Dynamic Equilibrium) replicates the blueNOTE (National Open source Tools for general Equilibrium analysis) datastream from the Wisconsin National Data Consortium. From there, it produces a recursive dynamic computable general equilibrium model of the US states and eventually the global/national economies. The datastream operations have been set up to allow for scalability of both regions and sectors represented. The model has the capability to flexibly define functional forms similar to other general equilibrium model construction software.

Hughes, Caroline↗
DOE OSTI2024

In Search of Optimum Fresh-Cut Raw Material: Using Computer Vision Systems as a Sensory Screening Tool for Browning-Resistant Romaine Lettuce Accessions

The popularity of ready-to-eat (RTE) salads has prompted novel technology to prolong the shelf life of their ingredients. Fresh-cut romaine lettuce is widely used in RTE salads; however, its tendency to quickly discolor continues to be a challenge for the industry. Selecting the ideal lettuce accessions for use in RTE salads is essential to ensure maximum shelf life, and it is critical to have a practical way to assess and compare the quality of multiple lettuce accessions that are being considered for use in fresh-cut applications. Thus, in this work we aimed to determine whether a computer vision system (CVS) composed of image acquisition, processing, and analysis could be effective to detect visual quality differences among 16 accessions of fresh-cut romaine lettuce during postharvest storage. The CVS involved a post-capturing color correction, effective image segmentation, and calculation of a browning index, which was tested as a predictor of quality and shelf life of fresh-cut romaine lettuce. The results demonstrated that machine vision software can be implemented to replace or supplement the scoring of a trained panel and instrumental quality measurements. Overall visual quality, a key sensory parameter that determines food preferences and consumer behavior, was highly correlated with the browning index, with a Pearson correlation coefficient of −0.85. Other important sensory decision parameters were also strongly or moderately correlated with the browning index, with Pearson correlation coefficients of −0.84 for freshness, 0.79 for off odor, and 0.57 for browning. The ranking of the accessions according to quality acceptability from the sensory evaluation produced a similar pattern to those obtained with the CVS. This study revealed that multiple lettuce accessions can be effectively benchmarked for their performance as fresh-cut sources via a CVS-based method. Future opportunities and challenges in using machine vision image processing to predict consumer preferences for RTE salad greens is also discussed.

Agriculture↗
DOE OSTI2023

Systematically derived thermodynamic properties for alkane oxidation

Key combustion properties, such as ignition delay time, show strong sensitivity to the thermochemistry of the main species in the standard radical oxidation pathway at low temperatures (600-1000K). Significant uncertainties persist in current estimates of thermodynamic properties, particularly for the larger species of relevance to common practical fuels. In this article, we use advanced computational schemes to evaluate thermodynamic properties for the fuel, fuel radical, peroxy, hydroperoxy-alkyl radical, and hydroperoxide species for a set of 17 fuels containing up to 9 carbon atoms, and with various degrees of branching in the alkane backbone. The procedure, termed STAR-1D, combines conformer sampling to find the minimum geometry, B2PLYP-D3/cc-pVTZ harmonic frequency evaluations, and omega B97X-D/cc-pVTZ one-dimensional torsional mapping. It includes two physically-based scaling routines: a frequency-dependent scaling to B2PLYP-D3/cc-pVTZ anharmonic frequencies and a scaling of one-dimensional omega B97X-D/ccpVTZ torsional profiles to reproduce the product of the B2PLYP-D3/cc-pVTZ frequencies in the harmonic limit. Substantive comparisons with existing experimental databases, together with careful examinations of key theoretical assumptions, are used to explore the accuracy of the predictions. These computationally intensive explorations of 195 species were facilitated by automated thermochemistry software. Further, high accuracy 0 K heats of formation from a separate study are used with the STAR-1D computations to generate NASA polynomial representations. In addition to their intrinsic value, the present results also provide a reliable database for the optimization of group additivity or machine learning schemes for scaling to larger combustion systems. Towards this end a complementary extensive conformational analysis is carried out for the medium sized species and the thermodynamic properties of the lowest energy hydrogen-bonded and non-hydrogen bonded conformers are contrasted for larger hydroperoxy-alkyl radical species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fourier-based methods for removing mesh anomalies from angle resolved photoemission spectra

Recent improvements to spatial resolution in angle-resolved photo-emission spectroscopy (ARPES) have made it common to perform measurements with a very brief dwell time, for the purpose of mapping the spectral function over large surface regions. However, rapid measurement modalities can suffer a grid-like intensity modulation due to a wire mesh that is typically placed in front of the ARPES detector to block stray electrons. Here, we explore Fourier-based methods that can effectively remove this artifact, and improve the quality of ARPES images obtained in rapid scanning modes. In conclusion, an open source software package is provided containing implementations of demonstrated algorithms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Advancing Building Energy Modeling with Large Language Models: Exploration and Case Studies

The rapid progression in artificial intelligence has facilitated the emergence of large language models like ChatGPT, offering potential applications extending into specialized engineering modeling, especially physics-based building energy modeling. This paper investigates the innovative integration of large language models with building energy modeling software, focusing specifically on the fusion of ChatGPT with EnergyPlus. A literature review is first conducted to reveal a growing trend of incorporating large language models in engineering modeling, albeit limited research on their application in building energy modeling. We underscore the potential of large language models in addressing building energy modeling challenges and outline potential applications including simulation input generation, simulation output analysis and visualization, conducting error analysis, co-simulation, simulation knowledge extraction and training, and simulation optimization. Three case studies reveal the transformative potential of large language models in automating and optimizing building energy modeling tasks, underscoring the pivotal role of artificial intelligence in advancing sustainable building practices and energy efficiency. The case studies demonstrate that selecting the right large language model techniques is essential to enhance performance and reduce engineering efforts. The findings advocate a multidisciplinary approach in future artificial intelligence research, with implications extending beyond building energy modeling to other specialized engineering modeling.

building energy modeling↗
DOE OSTI2026

Computational capacity in hydrodynamic real-time hybrid simulation applied to simulate the dynamic response of floating offshore wind turbines

Real-time hybrid simulation (RTHS) mitigates similitude distortions in model-scale tests of floating offshore wind turbines (FOWTs) by coupling physical experiments with numerical models in real time. The coupling requires faster-than-real-time numerical computations to satisfy temporal similitude with the physical experiment, presenting a bottleneck for using more complex numerical models in RTHS. This paper presents a hydrodynamic-RTHS (hydro-RTHS) framework for FOWTs that simulates the hydrodynamics physically and the aerodynamics numerically with sensor feedback from the physical testing. The framework adapts the three-loop hardware architecture to leverage greater computational resources and mitigate strict temporal requirements, enabling more computationally demanding numerical analyses in hydro-RTHS. The three-loop hardware architecture integrates multiple machines, each dedicated to either numerical analysis or RTHS controls, with a rate-transition algorithm to synchronize the tasks executed across the different machine processors. Virtual and physical tests verified and validated the hydro-RTHS framework, respectively. The ”virtual” tests, which approximates the physical domain numerically, verified the RTHS framework with respect to a numerical full-scale complete FOWT model simulated in the open-source software, OpenFAST. The virtual tests were able to maintain comparable control signals while enabling greater computational resources for the numerical calculations. Real-world physical tests demonstrated that the hydro-RTHS framework computes aerodynamic forces similar to the complete OpenFAST model, validating the hydro-RTHS framework using the three-loop hardware architecture. Findings show that the hydro-RTHS framework with the three-loop hardware architecture is computationally efficient, with reserve capacity to simulate more complex problems due to the customized software, hardware, and rate-transition algorithm.

17 WIND ENERGY↗
DOE OSTI2025

MODE: A Web Application for Interactive Visualization and Exploration of Omics Data

Studies generating transcriptomics, proteomics, lipidomics, and metabolomics (colloquially referred to as “omics”) data allow researchers to find biomarkers or molecular targets, or understand complex biological structures and functions by identifying changes in biomolecule abundance and expression between experimental conditions. Omics data is multi-dimensional and oftentimes summarization techniques such as principal component analysis (PCA) are used to identify high-level patterns in data. Though useful, these summaries don’t allow exploration of detailed patterns in omics data that may have biological relevance. The use of interactive HTML displays with plots allows researchers to interact with omics data at a detailed level, but building these displays requires significant coding expertise. To overcome this barrier, the software MODE was built to empower users to build their own interactive HTML displays to support scientific discovery. These displays are easily shareable, do not depend on a specific operating system, and allow users to effortlessly sort and filter plots by categorical or numerical variables. MODE allows users to build and share these displays with several options for plot design and meta selection. In conclusion, the MODE web application and its capabilities are presented and then demonstrated on lipidomics data from a leaf wounding study.

lipidomics↗
DOE OSTI2021

Color Change During Thermal Degradation of Polyolefin Electric Cable Insulations

Color change of electric cable insulations used in nuclear power plants (NPPs) is a non-destructive, quick and inexpensive technique to measure degradation. Quantification of color change is facilitated by a light booth of CIE D65 illuminant, a commercial camera and open-source software ImageJ with micaToolbox plugin. Yellowness index (YI) and total color difference (?E) are calculated from calibrated photos of a white cross-linked polyethylene (XLPE) and a black ethylene-propylene rubber (EPR) based specimens aged at 110°C, 121°C, 136°C and 150°C after 1~640 days. Using the same setup and software, pixelwise ?E profile is determined for the cross-sectional photo of a white EPR specimen, where heterogeneous aging is detected.

cable aging, color analysis↗
DOE OSTI2024

A Large-Scale Analysis to Optimize the Control and V2V Communication Protocols for CDA Agreement-Seeking Cooperation

Cooperative driving automation (CDA) Class C, agreement-seeking cooperation, is an innovative and practical solution that can promote cooperation among general passenger vehicles on the road. However, more comprehensive studies are needed before establishing the standard protocols of agreement-seeking cooperation, such as communication frequency and the duration of cooperation. Here, this article presents an initiative study on the impacts of communication capabilities on agreement-seeking cooperation. Through a large-scale analysis by regulating vehicle-to-vehicle (V2V) communication metrics, this work suggests desirable system parameters that can maximize the benefits of cooperation and ensure reliable operability while avoiding exhaustive communication loads. As the first step, an example agreement-seeking cooperation system is created for a car-following scenario, including decision-making and control algorithms for autonomous vehicles. Then, software-in-the-loop tests explore the performance of the developed system as it encounters various communication risks, such as latency and message packet drops. The system performance metrics are evaluated from various angles, including the time consumed for the agreement-seeking process, cooperation ratio, and the ratio of faulty cooperation. Energy saving from the cooperation is assessed by using simulation software that can run multiple high-fidelity vehicle models simultaneously. Based on the analyses, this article suggests the V2V communication requirements for the reliable operation of CDA agreement-seeking, which can be referred to when developing the standard protocols of agreement-seeking cooperation.

42 ENGINEERING↗
DOE OSTI2022

PyPVRPM: Photovoltaic Reliability and Performance Model in Python

The ability to perform accurate techno-economic analysis of solar photovoltaic (PV) systems is essential for bankability and investment purposes. Most energy yield models assume an almost flawless operation (i.e., no failures); however, realistically, components fail and get repaired stochastically. This package, PyPVRPM, is a Python translation and improvement of the Language Kit (LK) based PhotoVoltaic Reliability Performance Model (PVRPM), which was first developed at Sandia National Laboratories in Goldsim software (Granata et al., 2011) (Miller et al., 2012). PyPVRPM allows the user to define a PV system at a specific location and incorporate failure, repair, and detection rates and distributions to calculate energy yield and other financial metrics such as the levelized cost of energy and net present value (Klise, Lavrova, et al., 2017). Our package is a simulation tool that uses NREL’s Python interface for System Advisor Model (SAM) (National Renewable Energy Laboratory, 2020b) (National Renewable Energy Laboratory, 2020a) to evaluate the performance of a PV plant throughout its lifetime by considering component reliability metrics. Besides the numerous benefits from migrating to Python (e.g., speed, libraries, batch analyses), it also expands on the failure and repair processes from the LK version by including the ability to vary monitoring strategies. These failures, repairs, and monitoring processes are based on user-defined distributions and values, enabling a more accurate and realistic representation of cost and availability throughout a PV system’s lifetime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Retro-Commissioning Sensor Suitcase for Energy Efficiency (CRADA Final Report)

The Sensor Suitcase project aimed to enable cost-effective, data-driven retro-commissioning (RCx) in small commercial buildings through a self-installable toolkit consisting of portable sensors and diagnostic software. Results showed that the Sensor Suitcase could identify common operational faults leading to 5–15% energy savings opportunities, with automated reports requiring minimal user interpretation. The project adhered closely to its Statement of Work (SOW) but evolved the reporting interface and sensor logging duration based on field feedback. The development and validation of diagnostics are documented in PNNL technical reports and internal analysis summaries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Cascaded Control for Building HVAC Systems in Practice

Actuator hunting is a widespread and often neglected problem in the HVAC field. Hunting is typically characterized by sustained or intermittent oscillations, and can result in decreased efficiency, increased actuator wear, and poor setpoint tracking. Cascaded control loops have been shown to effectively linearize system dynamics and reduce the prevalence of hunting. This paper details the implementation of cascaded control architectures for Air Handling Unit chilled water valves at three university campus buildings. A framework for implementation the control in existing Building Automation software is developed that requires only a single line of additional code. Results gathered for more than a year show that cascaded control not only eliminates hunting in control loops with documented hunting issues, but provides better tracking and more consistent performance during all seasons. A discussion of efficiency losses due to hunting behavior is presented and illustrated with comparative data. Furthermore, an analysis of cost savings from implementing cascaded chilled water valve control is presented. Field tests show 2.2–4.4% energy savings, with additional potential savings from reduced operational costs (i.e., maintenance and controller retuning).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study

We report FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the OpenCalphad software, the thermodynamics of the (FeTi) 1-x H x (0 ≤ x ≤ 1) system were assessed as a key basis for modeling hydrogenation of FeTi-based alloys. New thermodynamic data were acquired from our experimental pressure-composition-isotherm (PCI) curves, as well as first-principles calculations utilizing density functional theory (DFT). The thermodynamic phase models were carefully selected based on critical analysis of literature information and ab-initio investigations. Key thermodynamic properties such as dissociation pressure, formation enthalpies and phase diagrams were calculated in good agreement to our performed experiments and literature-reported data. This work provides an initial perspective, which can be extended to account for higher-order thermodynamic assessments and subsequently enables the design of novel FeTi-based hydrides. In addition, the assessed thermodynamic data can serve as key inputs for kinetic models and hydride microstructure simulations.

08 HYDROGEN↗
DOE OSTI2026

ChatMPI: LLM-Driven MPI Code Generation for HPC Workloads

The Message Passing Interface (MPI) standard plays a crucial role in enabling scientific applications for parallel computing and is an essential component in high-performance computing (HPC). However, implementing MPI code manually—especially applying a proper domain decomposition and communication pattern—is a challenging and error-prone task. We present ChatMPI, an AI assistant for MPI parallelization of sequential C codes. In our analysis, we focus on testing six essential HPC workloads, which are based on Basic Linear Algebra Subprograms levels 1, 2, and 3 as well as sparse, stencil, and iterative operations. We analyze the process of creating ChatMPI by using the ChatHPC library. This lightweight large language model (LLM)–based infrastructure enables HPC experts to efficiently create and supervise trustworthy AI capabilities for critical HPC software tasks. We study the data required for training (fine-tuning) ChatMPI to generate parallel codes that not only use MPI syntax correctly but also apply HPC techniques to reduce memory communication and maximize performance by using proper work decomposition. With a relatively small training dataset composed of a few dozen prompts and fewer than 15 minutes of fine-tuning on one node equipped with two NVIDIA H100 GPUs, ChatMPI elevates trustworthiness for MPI code generation of current LLMs (e.g., Code Llama, ChatGPT-4o and ChatGPT 5). Additionally, we evaluate the performance of the MPI codes generated by ChatMPI in comparison with the ones generated by ChatGPT-4o and ChatGPT-5. The codes generated by ChatMPI provide up to a 4 × boost in performance by using better problem decomposition, communication patterns, and HPC techniques (e.g., communication avoiding).

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
DOE OSTI2024

Hazards and Probabilistic Risk Assessments of Advanced Nuclear Reactors Coupled with Industrial Facilities

This report provides a roadmap and tool kit for site specific risk assessments across a broad range of industrial customers co-located with advanced nuclear power plants (ANPP) that are not currently built and operating in the U.S. This report builds upon the body of work sponsored by the Department of Energy (DOE) Integrated Energy Systems Pathway that has produced industrial requirements studies and techno-economic assessments on the topics of feasibility of ANPP supported industrial processes. This report also leverages the DOE Light Water Reactor Sustainability (LWRS) program that has presented hazards assessment and generic probabilistic risk assessments (PRAs) for the addition of a heat extraction system (HES) to light-water reactors (LWRs) co-located with hydrogen production facilities. Many of the hazard assessments and risk assessments performed for the LWRS report are agnostic to whether the nuclear reactor is an ANPP or were adapted to the ANPP focus. The report performs hazards assessments to include industrial facilities: an oil refinery, a methanol plant, a synthetic fuel (synfuel) plant, the production of synthetic gas (syngas) as part of the methanol and synfuel plants, wood pulp and paper mills, and hydrogen production. Hydrogen production facilities are assessed in depth through prior reports in the LWRS program and the results are leveraged in this report. All these facilities are specified through industrial process and requirements research performed by national laboratories, universities, and interaction with industry. Many of the processes used in this report are pre-conceptual designs to use for decarbonization of the current technology facilities. A process of failure modes and effects analysis (what can go wrong) and accidentology (what has historically gone wrong) was used to determine the hazards presented to the nuclear power plant by the addition of the HES and the industrial customer. Chemical properties of feedstocks and products are summarized as part of the hazards assessment. Example analysis procedures are provided for each of the hazard types identified. These deterministic analyses can be used to assess adherence to licensing criteria. They can also be used to meet other safety goals like protection of the public, workers, or industrial facility equipment. A modular high temperature gas-cooled reactor (MHTGR) PRA only existing on paper was modeled and verified in modern PRA software. This will provide a tool for representative ANPP probabilistic analyses for future research.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Design and performance analysis of a Swirl Pintle injector for a 1 MW th pressurized oxy-coal combustor

Pressurized Oxy-coal combustion has the potential to achieve high thermal efficiency by recovering the latent heat of steam from flue gases and providing options for up to 95% carbon capture. Here, this study proposes a novel burner technology for pressurized oxy-coal combustion and investigates its operability. Three burner versions are designed and tested; no swirl, swirl numbers 0.9 and 1.2 to identify optimum design parameters and performance. A commercially available Dantec Dynamics software is used to conduct the shadowgraph experiments to observe burner performance. Coal water slurry is used as fuel with three different slurry ratios where the coal percentage by weights were 30, 40 and 50. Droplet size, distribution, spray angle and jet breakup lengths are measured and analyzed to quantify the performance. The study found that increasing the swirl number enhanced atomization. Implementing swirlers allowed the jet to spread through faster primary jet separation, thus improving atomization. In addition, higher slurry ratios improved the generation of smaller particles. However, it was also found that excessive increases in oxidizer momentums negatively impact the atomization process by jet shrinkage. The study concluded that operating a pintle burner at 1.2 swirl conditions with a 40/60 slurry ratio produces optimum performance.

42 ENGINEERING↗