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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

The impact of (n, γ ) reaction rate uncertainties of unstable isotopes near N = 50 on the i-process nucleosynthesis in He-shell flash white dwarfs

The first-peak s-process elements Rb, Sr, Y and Zr in the post-AGB star Sakurai's object (V4334 Sagittarii) have been proposed to be the result of i-process nucleosynthesis in a post-AGB very-late thermal pulse event. We estimate the nuclear physics uncertainties in the i-process model predictions to determine whether the remaining discrepancies with observations are significant and point to potential issues with the underlying astrophysical model. We find that the dominant source in the nuclear physics uncertainties are predictions of neutron capture rates on unstable neutron rich nuclei, which can have uncertainties of more than a factor 20 in the band of the i-process. We use a Monte Carlo variation of 52 neutron capture rates and a 1D multi-zone post-processing model for the i-process in Sakurai's object to determine the cumulative effect of these uncertainties on the final elemental abundance predictions. We find that the nuclear physics uncertainties are large and comparable to observational errors. Within these uncertainties the model predictions are consistent with observations. A correlation analysis of the results of our MC simulations reveals that the strongest impact on the predicted abundances of Rb, Sr, Y and Zr is made by the uncertainties in the (n, γ) reaction rates of 85 Br, 86 Br, 87 Kr, 88 Kr, 89 Kr, 89 Rb, 89 Sr, and 92 Sr. This conclusion is supported by a series of multi-zone simulations in which we increased and decreased to their maximum and minimum limits one or two reaction rates per run. We also show that simple and fast one-zone simulations should not be used instead of more realistic multi-zone stellar simulations for nuclear sensitivity and uncertainty studies of convective–reactive processes. Lastly, our findings apply more generally to any i-process site with similar neutron exposure, such as rapidly accreting white dwarfs with near-solar metallicities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

A Game-Theoretic Data-Driven Approach for Pseudo-Measurement Generation in Distribution System State Estimation

In this paper, we present an efficient computational framework with the purpose of generating weighted pseudo-measurements to improve the quality of distribution system state estimation (DSSE) and provide observability with advanced metering infrastructure (AMI) against unobservable customers and missing data. The proposed technique is based on a game-theoretic expansion of relevance vector machines (RVMs). This platform is able to estimate the nodal power consumption and quantify its uncertainty while reducing the prohibitive computational burden of model training for large AMI datasets. To achieve this objective, the large training set is decomposed and distributed among multiple parallel learning entities. The resulting estimations from the parallel RVMs are then combined using a game-theoretic model based on the idea of repeated games with vector payoff. It is observed that through this approach and by exploiting the seasonal changes in customers’ behavior the accuracy of pseudo-measurements can be considerably improved, while introducing robustness against bad training data samples. The proposed pseudo-measurement generation model is integrated into a DSSE using a closed-loop information system, which takes advantage of a branch current state estimator (BCSE) to further improve the performance of the designed machine learning framework. This method has been tested on a practical distribution feeder model with smart meter data for verification.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Simulations of SITI Cookoff Experiments Carried Out with Different Lots of PBX 9502

A pressure dependent cookoff model for PBX 9502 was developed by Hobbs’ et. al. PBX 9502 is composed of 95% by mass triaminotrinitrobenzene (TATB) and a 5% by mass chlorotrifluoroethylene/vinylidine fluoride binder. The objective in this study is to implement this cookoff model in Aria to simulate Sandia Instrumented Thermal Ignition (SITI) experiments that were carried out with different manufacturing lots of PBX 9502. The SITI design consists of solid cylinders (1" diameter × 1" height) of insensitive high explosive (IHE) confined by a cylindrical aluminum case. An electric heater is wrapped around the lateral surface of the case. This heater produces a temperature heating ramp on the outer surface of the case. Internal thermocouples measure the IHE temperature rise from the center to locations close to the IHE-aluminum interface. The energetic material is heated until thermal ignition occurs. Pressure is measured with a static pressure transducer installed on top of the confinement case. Two–dimensional axisymmetric heat conduction finite element models were implemented to simulate these experiments using four options of the PBX 9502 cookoff model. In addition, the predictive ability of this thermal decomposition model is evaluated using Latin Hypercube Sampling (LHS) techniques.

42 ENGINEERING↗
DOE OSTI2017

LHC searches for dark sector showers

This paper proposes a new search program for dark sector parton showers at the Large Hadron Collider (LHC). These signatures arise in theories characterized by strong dynamics in a hidden sector, such as Hidden Valley models. A dark parton shower can be composed of both invisible dark matter particles as well as dark sector states that decay to Standard Model particles via a portal. The focus here is on the specific case of ‘semi-visible jets,’ jet-like collider objects where the visible states in the shower are Standard Model hadrons. We present a Simplified Model-like parametrization for the LHC observables and propose targeted search strategies for regions of parameter space that are not covered by existing analyses. Following the ‘mono-X’ literature, the portal is modeled using either an effective field theoretic contact operator approach or with one of two ultraviolet completions; sensitivity projections are provided for all three cases. We additionally highlight that the LHC has a unique advantage over direct detection experiments in the search for this class of dark matter theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Laying a Foundation for Performance Assessment (PA) Model Development - 19267

Performance Assessment (PA) models are abstractions of real-world conditions. As abstractions, modelers must make a number of decisions regarding model complexity and which features, events, and processes (FEPs) will be represented. To ensure that such decisions are transparent to stakeholders, modelers should document their approach and how this approach influences conceptual model development. This paper describes one such approach. Examples are used to describe an analysis of the potential FEPs. Through the FEPs analysis, all potentially relevant FEPs can be identified. These potentially relevant FEPs are then used to develop a detailed conceptual model known as the Central Scenario, which includes a description of the assessment context, the key features of the site and the closure system, and the expected processes of the system. From this Central Scenario conceptual model, mathematical models can be developed and implemented within modeling software and used to demonstrate compliance to PA performance objectives. FEPs which are beyond the scope of the Central Scenario are identified and used as the basis for developing alternative conceptual models (ACMs) or sensitivity analyses. Once these models and modeling cases are defined, the necessary inputs can be identified and defined. (author)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Multi-objective Microgrid Assessment and Sizing Framework for Economic and Resilience Benefits

This paper presents an innovative multi-objective assessment and sizing framework for battery energy storage system paired with photovoltaics for a cost-effective and resilient microgrid. In the proposed framework, we simultaneously consider i) economic benefits from bundling grid services in grid-connected mode and ii) enhanced resilience by operating the microgrid in island mode upon outages of the main grid. Instead of simply treating resilience as another monetary value stream, this paper models resilience and economic benefits as two separate objectives. Multi-objective optimization is developed to explore different sizing and dispatch options and generate the Pareto front to assist decision-making in system design. Case studies on a real-world microgrid project in Puget Sound Energy system are presented to illustrate the proposed modeling and sizing methods.

Battery energy storage, Microgrid, Optimal Sizingp↗
DOE OSTI2023

Skewering the silos: using Brick to enable portable analytics, modeling and controls in buildings

Nearly all large commercial buildings have heating, ventilation and air conditioning (HVAC) systems, lighting systems, safety and other systems controlled by a computer—a dedicated server with a building energy management system (BMS). However, these BMSs are proprietary with each building’s assets (that is, fans, valves, pumps, and their setpoints) named and coded uniquely by the BMS vendor or engineer; building analytics and control algorithms are written specific to the assets and the building. Thus, any control updates or analytics to improve building performance—especially critical to reduce greenhouse emissions or improve load flexibility—are labor intensive and costly. The Brick schema was developed so the same analysis or control algorithms can work on a variety of buildings if each is digitally represented in a Brick data model. The goal of this project was to further the development of Brick to extend it beyond an academic project with demonstrated success in a small field study, to a practical choice for industrial and commercial stakeholders seeking to realize value from building data. To do this, we executed four objectives: (1) expand the Brick schema including its modeling capabilities and vocabulary, (2) develop tools for integrating Brick with existing digital technologies and representations in buildings, (3) develop an open-source analytics platform to facilitate use of Brick in delivering data value, and (4) demonstrate Brick-driven analytics and controls in real settings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

An analysis of the hybrid internal mass modeling approach in EnergyPlus

Accurate simulation of building system dynamics is particularly important for understanding building energy flexibility. Among all dynamics in a building, a zone temperature’s variation is especially important, as it significantly affects a building’s electricity load profile when its heating, ventilating, and air conditioning (HVAC) system is controlled with on/off cycles or setpoint reset strategies. To accurately simulate a zone temperature’s dynamics, internal mass needs to be modeled carefully. In this paper, we compare the two internal mass modeling approaches provided by EnergyPlus, i.e., internal mass object and zone air capacitance multiplier, to better understand their impacts on zone temperature simulation. Real building zone temperature dynamic data from small- and medium-sized office buildings are analyzed and compared with simulated data. In particular, we illustrate the effectiveness of a hybrid method of the two EnergyPlus modeling approaches, which yields more realistic zone temperature dynamics, especially when the zone is conditioned with heat pump systems with on/off cycling.

Chen, Zhelun↗
DOE OSTI2021

DeepMerge – II. Building robust deep learning algorithms for merging galaxy identification across domains

In astronomy, neural networks are often trained on simulation data with the prospect of being used on telescope observations. Unfortunately, training a model on simulation data and then applying it to instrument data leads to a substantial and potentially even detrimental decrease in model accuracy on the new target dataset. Simulated and instrument data represent different data domains, and for an algorithm to work in both, domain-invariant learning is necessary. Here we employ domain adaptation techniques— Maximum Mean Discrepancy (MMD) as an additional transfer loss and Domain Adversarial Neural Networks (DANNs)— and demonstrate their viability to extract domain-invariant features within the astronomical context of classifying merging and non-merging galaxies. Additionally, we explore the use of Fisher loss and entropy minimization to enforce better in-domain class discriminability. We show that the addition of each domain adaptation technique improves the performance of a classifier when compared to conventional deep learning algorithms. We demonstrate this on two examples: between two Illustris-1 simulated datasets of distant merging galaxies, and between Illustris-1 simulated data of nearby merging galaxies and observed data from the Sloan Digital Sky Survey. The use of domain adaptation techniques in our experiments leads to an increase of target domain classification accuracy of up to ~20%. With further development, these techniques will allow astronomers to successfully implement neural network models trained on simulation data to efficiently detect and study astrophysical objects in current and future large-scale astronomical surveys.

galaxies: interactions↗
DOE OSTI2017

A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace

In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Multiple Degradation Mechanisms in Reinforced Concrete Structures, Modeling and Risk Analysis

The overarching goal of this project is to complement ongoing Department of Energy (DOE) Light Water Reactor Sustainability (LWRS)-funded Grizzly concrete modeling development efforts by providing improved multi-physics models for incorporation into the Grizzly and BlackBear codes. Objectives of this work identified at the outset of this project include: 1. Coupling between mechanical damage and transport processes. The mechanical damage will be characterized by nonlinear mechanical constitutive models appropriate for concrete used in nuclear power plants (NPPs). 2. Improved representation of the coupling among the transport process, building on the current moisture and thermal transport models in Grizzly. The parameters for coupling among heat and mass transport in the multi-physics model will be experimentally determined. 3. Coupling among different scale levels of concrete constituents, fine and coarse aggregates, cement paste, hydration products, and pore structure. 4. Probabilistic analysis of the random nature of the heterogeneous concrete structure and the environmental factors (ambient temperature and humidity) and their multiple effects on concrete deterioration. 5. Benchmark verification, validation and uncertainty quantification of the thermo-hygro- chemo-mechanical (THCM) concrete formulation. The end goal of this work was to provide a comprehensive and robust simulation capability that can be applied at the engineering scale for analysis of realistic deterioration scenarios in NPP concrete structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Application of Ocean Thermal Energy Conversion (OTEC) Systems for Powering Safety Monitoring Systems of Offshore Oil and Gas Operations, OESI 2.0 M-1 T-1-P1.1 – Objective 3 Report: Collocation of OTEC with Offshore Oil and Gas Activities

This report is a component of a comprehensive research initiative aimed at evaluating the technoeconomic feasibility of deploying Ocean Thermal Energy Conversion (OTEC) systems to power safety monitoring systems for offshore oil and gas operations in the Gulf of America (GOA). The overarching study has three primary objectives: summarizing existing oil and gas equipment monitoring systems, modeling OTEC as a renewable marine energy source, and exploring the collocation of OTEC power sources with offshore oil and gas activities to offset power demand. This report specifically addresses Objective 3, focusing on the integration of OTEC systems with floating oil and gas facilities.

02 PETROLEUM↗
DOE OSTI2017

An optimization model for collection, haul, transfer, treatment and disposal of infectious medical waste: Application to a Greek region

Highlights: • We developed an optimization model to minimize cost of infectious waste management. •Two different software were used for model solution. • Model optimizes locations and capacities of treatment plants and transfer stations. • The higher percentage of total cost was due to construction of the treatment plant. • Sensitivity analysis with respect to fuel cost and waste production was conducted. - Abstract: The objective of this work was to develop an optimization model to minimize the cost of a collection, haul, transfer, treatment and disposal system for infectious medical waste (IMW). The model calculates the optimum locations of the treatment facilities and transfer stations, their design capacities (t/d), the number and capacities of all waste collection, transport and transfer vehicles and their optimum transport path and the minimum IMW management system cost. Waste production nodes (hospitals, healthcare centers, peripheral health offices, private clinics and physicians in private practice) and their IMW production rates were specified and used as model inputs. The candidate locations of the treatment facilities, transfer stations and sanitary landfills were designated, using a GIS-based methodology. Specifically, Mapinfo software with exclusion criteria for non-appropriate areas was used for siting candidate locations for the construction of the treatment plant and calculating the distance and travel time of all possible vehicle routes. The objective function was a non-linear equation, which minimized the total collection, transport, treatment and disposal cost. Total cost comprised capital and operation costs for: (1) treatment plant, (2) waste transfer stations, (3) waste transport and transfer vehicles and (4) waste collection bins and hospital boxes. Binary variables were used to decide whether a treatment plant and/or a transfer station should be constructed and whether a collection route between two or more nodes should be followed. Microsoft excel software was used as installation platform of the optimization model. For the execution of the optimization routine, two completely different software were used and the results were compared, thus, resulting in higher reliability and validity of the results. The first software was Evolver, which is based on the use of genetic algorithms. The second one was Crystal Ball, which is based on Monte Carlo simulation. The model was applied to the Region of East Macedonia – Thrace in Greece. The optimum solution resulted in one treatment plant located in the sanitary landfill area of Chrysoupolis, required no transfer stations and had a total management cost of 38,800 €/month or 809 €/t. If a treatment plant is sited in the most eastern part of the Region, i.e., the industrial area of Alexandroupolis, the optimum solution would result in a transfer station of 23 m{sup 3}, located near Kavala General Hospital, and a total cost of 39,800 €/month or 831 €/t. A sensitivity analysis was conducted and two alternative scenarios were optimized. In the first scenario, a 15% rise in fuel cost and in the second scenario a 25% rise in IMW production were considered. At the end, a cost calculation in €/t/km for every type of vehicle used for haul and transfer was conducted. Also, the cost of the whole system was itemized and calculated in €/t/km and €/t. The results showed that the higher percentage of the total cost was due to the construction of the treatment plant.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Structure formation and exotic compact objects in a dissipative dark sector

Here, we present the complete history of structure formation in a simple dissipative dark-sector model. The model has only two particles: a dark electron, which is a subdominant component of dark matter, and a dark photon. Dark-electron perturbations grow from primordial overdensities, become non-linear, and form dense dark galaxies. Bremsstrahlung cooling leads to fragmentation of the dark-electron halos into clumps that vary in size from a few to millions of solar masses, depending on the particle model parameters. In particular, we show that asymmetric dark stars and black holes form within the Milky Way from the collapse of dark electrons. These exotic compact objects may be detected and their properties measured at new high-precision astronomical observatories, giving insight into the particle nature of the dark sector without the requirement of non-gravitational interactions with the visible sector. Our analysis demonstrates that a full study of the structure-formation history is needed to assess correctly the viability of exotic compact objects in dissipative dark-sector models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

From IEC 61853 power measurements to PV system simulations.

The IEC 61853 PV module energy rating standard requires measuring module power (and hence efficiency) over a matrix of irradiance and temperature conditions. These matrix points represent nearly the full range of operating conditions encountered in the field in all but the most extreme locations, and create an opportunity to develop alternative approaches to existing modelssuch as the single-diode models and the Sandia Array Performance Modelfor calculating system performance. This report begins by discussing the bilinear interpolation and extrapolation method from IEC 61853-3, and then describes four existing model-based methods that could be used with matrix measurements. Then a new model is developed and all options are compared according to seven objective criteria using the matrix measurements of four PV modules of different technologies. The results show that the new model is an excellent candidate for launching power matrix-based PV system simulations.

14 SOLAR ENERGY↗
DOE OSTI2024

Near Repository Unsaturated Alluvium Disposal Modeling with Improved Geological Realism

The Disposal Research and Development (R&D) Program of the US Department of Energy (DOE) office of Nuclear Energy (NE-8) Spent Fuel and Waste Science and Technology (SFWST) Campaign is to conduct R&D on disposal of spent nuclear fuel (SNF) and high-level waste (HLW). The goal of the Geologic Disposal Safety Assessment (GDSA) within this project is to develop a disposal system modeling and analysis capability that supports the integrated modeling of coupled processes controlling disposal system performance of deep geologic repositories, including uncertainty. This report describes a specific activity in the Fiscal Year 2024 (FY24) associated with the GDSA Repository Systems Analysis (RSA) work package in collaboration with the GDSA Geologic Modeling work package at Los Alamos National Laboratory (LANL). The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and repository system performance models in crystalline, argillite, salt, and unsaturated alluvium potential host-rock environments, and to simulate and analyze these generic repository concepts and models using GDSA Framework toolkit, and other tools as needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗