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DOE OSTI2022

Enabling Predictive Scale-Bridging Simulations through Active Learning (Institutional Computing Annual Report (Project w21_alscalebridging)) [Slides]

The goal of this project was to develop, demonstrate, and provide a new capability to achieve greater physical fidelity in large-scale simulations, rather than the usual brute-force increases in the number of mesh elements or particles. Transport in nanoporous media, critical to hydrocarbon extraction from tight shale formations, is affected by molecular-level interactions. Several coarse-scale Lattice Boltzmann model (LBM) parameters cannot be directly computed, so instead we calibrate them to molecular dynamics (MD) simulations, by building emulators that mimic MD and LBM behavior and then training an upscaler. The resulting machine learning (ML)-based scale-bridging framework is up to 7 orders of magnitude faster than direct MD.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Electrification Options for Multi-Family Water Heating in Cold Climates - Final Report

In multi-family buildings, large water storage tanks in centralized domestic hot water (DHW) systems can serve as thermal energy storage (TES) batteries to mitigate grid impact. These systems offer demand shift and efficiency benefits, significantly reducing peak power consumption, particularly in cold climates. This study evaluates the load-shifting benefits of a centralized heat pump water heater (HPWH) system equipped with a CO2 heat pump in multi-family buildings through simulation. The heat pump system and water storage tank are sized using design-day sizing. A finite-element-based stratified tank model and CO2 heat pump performance map from a commercial DHW product are used. Annual simulations are conducted to assess the benefits of the centralized DHW system for energy efficiency improvements, load shifting, and emission reductions. These simulations incorporate utility tariffs and marginal grid emission data from Los Angeles and Chicago. In Los Angeles, using a water tank as a thermal battery achieves 7.4% utility cost savings and 10.2% emission reduction. In Chicago, compared to HPWH conventional operation without preheating, TES-enabled central HPWH provides 15% utility cost savings and 13% emission reduction. The case study demonstrates that the demand reduction potential of central CO2 HPWHs is significant in cold climate regions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

REBOUND: Reverse Engineering Bidirectional Outflow Under Non-Equilibrium Diffusion

Rare-earth elements (REEs) are essential for electronics, renewable energy, and defense technologies. However, the current supply of REEs relies on mining concentrated in a few countries and energy-intensive separations. DOE’s Basic Energy Sciences (BES) program has launched a grand challenge which aims to ensure a sustainable supply of critical REEs by developing innovative and environmentally friendly separation methods. As an alternative to costly and harmful traditional methods, the Non-Equilibrium Transport Driven Separations (NETS) initiative has created a microfluidic Y-channel co-flow method that applies external fields to exploit magneto- and electrohydrodynamic effects for separating dilute REE ions from complex feedstocks. Computational fluid dynamics (CFD) studies have identified a few operating conditions with promising ion selectivity and separation efficiency. However, challenges remain regarding Y-channel versatility across feedstocks and accurate incorporation of physical phenomena into CFD models. In this work, we develop a multi-fidelity modelling approach which integrates experimental results with CFD simulation to build a surrogate model for the dependence of separation efficiency to variation of design parameters. The surrogate model enables a reinforcement learning (RL) method to adaptively launch CFD and experimental runs, improving model fidelity around optimal Y-channel parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Optimizing Price-Informed Operation of a Battery Storage System in an Office Building

New prescriptive efficiency requirements amended to US model energy codes historically have been evaluated using an average, blended electricity rate, which obscures demand charges. Post 2019, new measures can be evaluated using a representative time-of-use (TOU) tariff yet more sophisticated analysis methods are needed to consider a variety of TOU tariffs and assess price-informed control. To address these needs, this study couples building prototype simulation model with varying-in-sophistication battery storage operating strategies for different electricity TOU tariffs. The analysis compares the impact of operating a battery storage system following simpler rule-of-thumb methods versus a semi-optimized priced-informed heuristic approach. The investigation demonstrates that the heuristic approach results in greater electricity cost savings and is practical to implement.

Lei, Xuechen↗

DOE OSTI2023

Regional Carbon Emission Reduction Prediction via Retrofits of Commercial Buildings with a Case Study of US School Buildings in Hot Climates

Retrofitting commercial buildings has great potential to reduce carbon emissions as demonstrated by previous studies in some specific cities, but their regional carbon emission reduction potential is still unknown. Thus, we develop a method to predict the long-term regional carbon emission reduction potential by retrofitting commercial buildings. School buildings in hot climate zones in the continental U.S. are selected as an example. The results show that the aggregated carbon emission reduction potential of school buildings in that region reduces from 3.33 to 2.01 megatons from 2024 to 2050 due to the increased penetration of renewable energy.

building energy simulation↗

DOE OSTI2022

A Case Study about Energy and Cost Impacts for Different Community Scenarios Using a Community-Scale Building Energy Modeling Tool

The United States building sector consumed approximately 75% of electricity in 2019. By implementing renewable energy technologies and control strategies into buildings, future buildings will serve as energy generators as well as consumers. To accommodate this transition, communications among buildings and between buildings and the grid could provide more possibilities to optimize the energy performance of buildings. This paper develops a community-scale building energy model tool and conducts a case study adopting behind-the-meter distributed energy resources, sharing energy in different buildings, and using different electricity tariff structures. Three scenarios are studied: (1) electricity only supplied by the grid, (2) photovoltaic (PV) panels installed on and available to some but not all buildings, and (3) a connected community. To consider the impacts of locations and energy tariffs, this paper selects four cities and three electricity tariffs to evaluate the energy and cost performances of these three scenarios. The results show that the PV panels in Scenario 2 reduce 25% to 33% of the community-level electricity consumption and 20% to 30% of the community-level electricity cost compared with Scenario 1 in all studied locations and energy tariffs. By considering power management in the connected community (Scenario 3), the electricity consumption and cost can be further reduced by 6% to 7% and 5% to 11%, respectively, compared with Scenario 2.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Total System Performance Ratio—A Systems Based Approach for Evaluating HVAC System Efficiency

The prescriptive path is the most widely used approach for commercial code compliance in the United States. Though easy to implement, prescriptive approaches do not typically discriminate between minimally compliant, high-performing and poorly performing HVAC system configurations. Hence, to meet aggressive energy and carbon reduction goals, it is clear that energy codes will need to transition from prescriptive to performance-based approaches, a transition that is riddled with several challenges. This paper discusses a new HVAC system-based performance approach (HVAC System Performance) which provides a simpler solution to HVAV system evaluation compared to whole building performance, while keeping tradeoffs limited to specific building systems. The Total System Performance Ratio (TSPR) is a metric for evaluation of overall system efficiency instead of individual component efficiency, a solution which could also eventually facilitate the transition to a 100% performance-based code structure. TSPR is a ratio that compares the annual heating and cooling load of a building to the annual energy consumed by the building’s HVAC system. A calculation software tool has been developed for determining a building’s TSPR. Already incorporated into the 2018 Washington State Energy Code, this approach is also being evaluated by ASHRAE Standard 90.l Project Committee and has the potential to provide a comprehensive performance-based approach for HVAC system evaluation and analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Empirical Modeling of Direct Expansion (DX) Cooling System for Multiple Research Use Cases

This study provides a general procedure to generate a direct expansion (DX) cooling coil system for a roof top unit (RTU), which is a typical heating ventilation and air-conditioning (HVAC) system for commercial buildings in the United States. Experimental data from a full-scale unoccupied 2-story commercial building is used for the HVAC modeling. The regression for identifying the model coefficients was carried out with multiple stages, and the results were validated with measured data. The model’s applicability was evaluated with multiple case studies, including a building energy simulation (BES) program validation, model-based predictive control (MPC), and fault diagnostics and detection (FDD).

42 ENGINEERING↗

DOE OSTI2023

Critical Metallicity of Cool Supergiant Formation. I. Effects on Stellar-mass Loss and Feedback

This paper systematically studies the relation between metallicity and mass loss of massive stars. We perform one-dimensional stellar evolution simulations and build a grid of ~2000 models with initial masses ranging between 11 and 60 M ⊙ and absolute metallicities Z between 0.00001 and 0.02. Steady-state winds, comprising hot main-sequence winds and cool supergiant winds, are the main drivers of the mass loss of massive stars in our models. We calculate the total mass loss over the stellar lifetime for each model. Our results reveal the existence of a critical metallicity Z c at Z ~ 10 –3 , where the mass loss exhibits a dramatic jump. If Z > Z c , massive stars tend to evolve into cool supergiants, and a robust cool wind is operational. In contrast, if Z < Z c , massive stars usually remain as blue supergiants, wherein the cool wind is not activated and the mass loss is generally weak. Moreover, we calculate the wind feedback in a 10 5 M ⊙ star cluster with the Salpeter initial mass function. The kinetic energy released by winds does not exhibit any significant transition at Z c because the wind velocity of a cool supergiant wind is low and contributes little to the kinetic energy. The effects of critical metallicity provide implications for the fates of metal-poor stars in the early universe.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1975

Vibration responses of test structure no. 1 during the Edwards Air Force Base phase of the national sonic boom program

In order to evaluate reaction of people to sonic booms of varying overpressures and time durations, a series of closely controlled and systematic flight test studies were conducted in the vicinity of Edwards AFB, California, from June 3 to June 23, 1966. The dynamic responses of several building structures were measured as a part of these studies, and the measurements made in a one-story residence structure (Edwards test structure No. 1) are presented. Sample acceleration and strain recordings are presented from F-104, B-58, and XB-70 sonic-boom exposures, along with tabulations of the maximum acceleration and strain values measured for each one of about 140 flight tests. These data are compared with similar measurements for engine noise exposures of the building during simulated landing approaches and takeoffs of KC-135 aircraft.

Findley, D. S.↗

NASA NTRS1975

Vibration Responses of Test Structure No. 2 During the Edward Air Force Base Phase of the National Sonic Boom Program

In order to evaluate reaction of people to sonic booms of varying overpressures and time durations, a series of closely controlled and systematic flight tests/studies were conducted from June 3 to June 23, 1966. The dynamic responses of several building structures were measured, with emphasis on a two-story residence structure. Sample acceleration and strain recordings from F-104, B-58, and XB-70 sonic boom exposures are included, along with tabulations of the maximum acceleration and strain values measured for each one of about 140 flight tests. These data are compared with similar measurements for engine noise exposures of the building during simulated landing approaches and takeoffs of KC-135 aircraft.

Findley, D. S.↗

NASA NTRS1981

Man/machine interface development for the REMOTEX concept

The development of a man/machine interface system that can be used to remotely control a system composed of a transporter base and a force-reflecting, survocontrolled manipulator is reported. The concept features the incorporation of totally remote operation. A simulator is build to optimize man/machine interface requirements.

Garin, J.↗

NASA NTRS1986

Numerical simulation of flare energy build-up and release via Joule dissipation

A new numerical MHD model is developed to study the evolution of an active region due to photospheric converging motion, which leads to magnetic-energy buildup in the form of electric current. Because this new MHD model has incorporated finite conductivity, the energy conversion occurs from magnetic mode to thermal mode through Joule dissipation. In order to test the causality relationship between the occurrence of flare and photospheric motion, a multiple-pole configuration with neutral point is used. Using these results it is found that in addition to the converging motion, the initial magnetic-field configuration and the redistribution of the magnetic flux at photospheric level enhance the possibility for the development of a flare.

Wu, S. T.↗

NASA NTRS1990

Swept wing ice accretion modeling

An effort to develop a three-dimensional modeling method was initiated. This first step towards creation of a complete aircraft icing simulation code builds on previously developed methods for calculating three-dimensional flow fields and particle trajectories combined with a two-dimensional ice accretion calculation along coordinate locations corresponding to streamlines. This work is a demonstration of the types of calculations necessary to predict a three-dimensional ice accretion. Results of calculations using the 3-D method for a MS-317 swept wing geometry are projected onto a 2-D plane normal to the wing leading edge and compared to 2-D results for the same geometry. It is anticipated that many modifications will be made to this approach, however, this effort will lay the groundwork for future modeling efforts. Results indicate that the flow field over the surface and the particle trajectories differed for the two calculations. This led to lower collection efficiencies, convective heat transfer coefficients, freezing fractions, and ultimately ice accumulation for the 3-D calculation.

Potapczuk, Mark G.↗

NASA NTRS1990

Vibration responses of two house structures during the Edwards Air Force Base phase of the national sonic boom program

The data are reproduced from NSBEO-1-67, which contains some preliminary results of the test program, and from NASA-Langley working papers 259 and 288 which are now out of print. Included are sample acceleration and strain recordings from F-104, B-58, and XB-70 sonic boom exposures, along with tabulations of the maximum acceleration and strain values measured for each one of about 130 flight tests. These data are compared with similar measurements for engine noise exposures of the building during simulated landing approaches and takeoffs of KC-135 aircraft.

Hubbard, Harvey H.↗

NASA NTRS1990

Swept wing ice accretion modeling

An effort to develop a three-dimensional ice accretion modeling method is initiated. This first step toward creation of a complete aircraft icing simulation code builds on previously developed methods for calculating three-dimensional flowfields and particle trajectories combined with a two-dimensional ice accretion calculation along coordinate locations corresponding to streamlines. This work is intended as a demonstration of the types of calculations necessary to predict a three-dimensional ice accretion. Results of calculations using the 3D method for a MS-317 swept wing geometry are projected onto a 2D plane normal to the wing leading edge and compared to 2D results for the same geometry. These results indicate that the flowfield over the surface and the particle trajectories differed for the two calculations. This led to lower collection efficiencies, convective heat transfer coefficients, freezing fractions, and ultimately ice accumulation for the 3D calculation.

Potapczuk, M. G.↗

NASA NTRS1991

Numerical simulation of ice growth on a MS-317 swept wing geometry

An effort to develop a 3-D ice accretion modeling method was initiated. This first step towards creation of a complete aircraft icing simulation code builds on previously developed methods for calculating 3-D flow fields and particle trajectories combined with a 2-D ice accretion calculation along coordinate locations corresponding to streamlines. The types of calculations necessary to predict 3-D ice accretion is demonstrated. Results of calculations using 3-D method for a MS-317 swept wing geometry are projected onto a 2-D plane parallel to the free stream direction and compared to experimental results for the same geometry. It is anticipated that many modifications will be made to this approach, however this effort will lay the groundwork for future modeling efforts. Results indicate that rime ice shapes indicate a difficulty in accurately calculating the ice shape in the runback region.

Potapczuk, M. G.↗

NASA NTRS1991

Numerical simulation of ice growth on a MS-317 swept wing geometry

An effort to develop a 3-D ice accretion modeling method was initiated. This first step towards creation of a complete aircraft icing simulation code builds on previously developed methods for calculating 3-D flow fields and particle trajectories combined with a 2-D ice accretion calculation along coordinate locations corresponding to streamlines. The types of calculations necessary to predict three-dimensional ice accretion is demonstrated. Results of calculations using 3-D method for a MS-317 swept wing geometry are projected onto a 2-D plane parallel to the free stream direction and compared to experimental results for the same geometry. It is anticipated that many modifications will be made to this approach, however, this effort will lay the groundwork for future modeling efforts. Results indicate that rime ice shapes indicate a difficulty in accurately calculating the ice shape in the runback region.

Potapczuk, M. G.↗