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At least 217 records · Page 12

FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Thermodynamic Vent System for an On-Orbit Cryogenic Reaction Control Engine

A report discusses a cryogenic reaction control system (RCS) that integrates a Joule-Thompson (JT) device (expansion valve) and thermodynamic vent system (TVS) with a cryogenic distribution system to allow fine control of the propellant quality (subcooled liquid) during operation of the device. It enables zero-venting when coupled with an RCS engine. The proper attachment locations and sizing of the orifice are required with the propellant distribution line to facilitate line conditioning. During operations, system instrumentation was strategically installed along the distribution/TVS line assembly, and temperature control bands were identified. A sub-scale run tank, full-scale distribution line, open-loop TVS, and a combination of procured and custom-fabricated cryogenic components were used in the cryogenic RCS build-up. Simulated on-orbit activation and thruster firing profiles were performed to quantify system heat gain and evaluate the TVS s capability to maintain the required propellant conditions at the inlet to the engine valves. Test data determined that a small control valve, such as a piezoelectric, is optimal to provide continuously the required thermal control. The data obtained from testing has also assisted with the development of fluid and thermal models of an RCS to refine integrated cryogenic propulsion system designs. This system allows a liquid oxygenbased main propulsion and reaction control system for a spacecraft, which improves performance, safety, and cost over conventional hypergolic systems due to higher performance, use of nontoxic propellants, potential for integration with life support and power subsystems, and compatibility with in-situ produced propellants.

Hurlbert, Eric A.↗

FY24 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in activities impacting national security 3) Lead Science, Technology & Engineering as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications 5) Build a workforce for the future

Clark, Sue [Savannah River National Laboratory (SR↗

A Cybersecurity Testbed for Smart Buildings

Smart buildings are equipped with a plethora of cyber-physical systems, such as Internet of Things (IoT) devices and building automation systems. These devices, especially in commercial buildings, use legacy communications and hardware that were not designed with cybersecurity in mind. With increasing cyber threats in recent years, smart buildings have become an increasing target for attacks, but not enough published data are available from these incidents to study or replicate the scenarios to defend buildings. As part of the U.S. Department of Energy-funded project focusing on developing the Building Intelligence with Layered Defense Using Security-Constrained Optimization and Security Risk Detection (BUILD-SOS) platform, we developed a cybersecurity test bed for smart buildings. This test bed includes a building simulation tool, virtual devices, emulated operational technology networks, and remote hardware-in-the-loop. Using this test bed, we performed different cyberattacks on the smart building model and collected both physical building data, to understand the impacts on the building, and network data, to aid in separating mechanical faults from cyberattacks during the detection. This test bed is a significant tool in protecting smart buildings from cyberattacks because it can aid in both cybersecurity analysis and the evaluation of other cyberattack detection tools by testing the tools in a secure environment without impacting the building operations.

cyber-physical systems↗

A Cybersecurity Testbed for Smart Buildings

Smart buildings are equipped with a plethora of cyber-physical systems, such as Internet of Things (IoT) devices and building automation systems. These devices, especially in commercial buildings, use legacy communications and hardware that were not designed with cybersecurity in mind. With increasing cyber threats in recent years, smart buildings have become an increasing target for attacks, but not enough published data are available from these incidents to study or replicate the scenarios to defend buildings. As part of the U.S. Department of Energy-funded project focusing on developing the Building Intelligence with Layered Defense Using Security-Constrained Optimization and Security Risk Detection (BUILD-SOS) platform, we developed a cybersecurity test bed for smart buildings. This test bed includes a building simulation tool, virtual devices, emulated operational technology networks, and remote hardware-in-the-loop. Using this test bed, we performed different cyberattacks on the smart building model and collected both physical building data, to understand the impacts on the building, and network data, to aid in separating mechanical faults from cyberattacks during the detection. This test bed is a significant tool in protecting smart buildings from cyberattacks because they can aid in both cybersecurity analysis and the evaluation of cyberattack detection tools by testing the tools in a secure environment without impacting the building operations.

alfalfa↗

Performance analysis of novel thermal storage integrated heat pump system in a residential building at the hot climate for demand flexibility

A novel thermal energy storage integrated heat pump system was proposed to reshape the electricity load profile of residential buildings while maintaining thermal comfort. High-fidelity computer simulations are needed for evaluating the feasibility of the proposed system. This study investigates the annual performance of the proposed system through Modelica-based system simulations. A rule-based control strategy was developed to shift the electric demand of a typical single-family house in Atlanta, GA from peak to off-peak hours to utilize the Time-of-Use electricity rate to lower the energy costs for conditioning the building. For comparison, a conventional air-source heat pump system serving the same building was also developed. Simulation results indicate that the proposed system is capable of shifting around 90% of the building's electricity consumption for meeting the thermal demand from peak to off-peak hours on a daily basis. In addition, the annual power consumption and operating cost for running the HVAC system can be reduced by 6% and 34%, respectively, compared with the conventional air-source heat pump.

Shi, Liang↗

pnnl/simple-building-calculator

The Simple Building Calculator is a web application that estimates annual energy use using regression models that have been fit to simulation results for the DOE Commercial Prototype Building Models. The tool is a single-page application that will allow a user to rapidly analyze the impact of energy efficiency measures and design options on building performance. As it uses linear regression models rather than more complicated machine learning models or physics based simulation, the tool can deploy easily and run client-side.

Xu, Weili↗

Evaluating the Capabilities of Behind-the-Meter Solar-plus-Storage for Providing Backup Power during Long-Duration Power Interruptions [Slides]

The study estimates the performance of behind-the-meter solar PV-plus-energy-storage-systems (PVESS) in providing critical-load or whole-building backup across a wide range of geographies, building types, and power interruption conditions. The study also considers a set of 10 historical long-duration power outage events and evaluates how PVESS could have performed in providing backup power during those specific events. The analysis is the first in what will be a series of studies by Berkeley Lab, in collaboration with the National Renewable Energy Laboratory, on the use of PVESS for backup power. This initial study, which relies on simulated end-use level building loads, solar generation, and storage dispatch, is intended to provide a baseline set of performance estimates and to illustrate key performance drivers.

14 SOLAR ENERGY↗

Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-Based Battery Enclosures for Crashworthiness

Carbon fiber composite can be a potential candidate for replacing metal-based battery enclosures of current electric vehicles (E.V.s) owing to its better strength-to-weight ratio and corrosion resistance. However, the strength of carbon fiber-based structures depends on several parameters that should be carefully chosen. Here, in this work, we implemented high throughput finite element analysis (FEA) based thermoforming simulation to virtually manufacture the battery enclosure using different design and processing parameters. Subsequently, we performed virtual crash simulations to mimic a side pole crash to evaluate the crashworthiness of the battery enclosures. This high throughput crash simulation dataset was utilized to build predictive models to understand the crashworthiness of an unknown set. Our machine learning (ML) models showed excellent performance (R 2 > 0.97) in predicting the crashworthiness metrics, i.e., crush load efficiency, absorbed energy, intrusion, and maximum deceleration during a crash. We believe that this FEA-ML work framework will be helpful in down select process parameters for carbon fiber-based component design and can be transferrable to other manufacturing technologies.

36 MATERIALS SCIENCE↗

An encoder–decoder LSTM-based EMPC framework applied to a building HVAC system

Numerous studies have demonstrated the benefit of economic model predictive control (EMPC) applied to building heating, ventilation, and air conditioning (HVAC) systems. However, the construction and training of predictive models for building HVAC systems are widely recognized as a key technological barrier preventing large-scale adoption of EMPC for buildings. In this work, an encoder–decoder long short-term memory-based EMPC framework is developed. The key advantage of the approach is that a model may be automatically generated from a list of inputs and outputs. From the definition of inputs and outputs, the constructed model may be trained and automatically embedded into the EMPC framework for real-time estimation and control. The overall end-to-end EMPC framework from model training to on-line estimation and control are described. To this end, the encoder–decoder model provides a natural framework for state estimation (encoder), which is required to provide an initial condition for the predictive model of EMPC (decoder). Closed-loop simulations using EnergyPlus are performed to demonstrate the approach. The simulated closed-loop system consists of a building zone from a multi-zone building, which is served by an air handling unit-variable air volume HVAC system. For the HVAC example considered, the trained encoder–decoder model can predict the indoor air temperature and HVAC sensible cooling rate of a building zone over a two-day horizon with high accuracy. Overall, we find that considering a time-of-use electric rate structure, the EMPC, which manipulates the zone temperature setpoint, can reduce the HVAC power consumption cost relative to keeping the zone temperature setpoint at its maximum value (i.e., minimum energy approach).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Update of ASHRAE Standard 140 Section 5.2 and Related Sections (BESTEST Building Thermal Fabric Test Cases)

This report documents new work intended to update the current building thermal fabric software-to-software comparative test specifications and example results of ANSI/ASHRAE Standard 140-2017, Sections 5.2.1, 5.2.2, 5.2.3, and related supporting sections. The Building Energy Simulation Test and Diagnostic Method (BESTEST) test specification and example results that provide the basis for these Standard 140 sections were originally published in 1995. The state of the art in building energy simulation modeling has advanced since then. Additionally, comments on the test specification over the years highlighted ambiguities, further necessitating the update to the original work. This new work was conducted for the U.S. Department of Energy (DOE) by Argonne National Laboratory (Argonne) and National Renewable Energy Laboratory (NREL), in collaboration with a working group of international experts associated with the American Society of Heating, Refrigerating, and Air-Conditioning Engineers (ASHRAE) Standing Standard Project Committee (SSPC) 140. SSPC 140 is responsible for ANSI/ASHRAE Standard 140. The new work, presented in this report, defined the test cases and specifications such that building energy simulation programs with time steps of one hour or less can perform the tests. Revisions to the test specification and update of example results follow the vetting process of iterative field trials established for previous BESTEST work that has been adapted for ASHRAE Standard 140.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Development of dual phase soft magnetic laminate for advanced electric machines

The development of dual phase soft magnetic laminate for advanced electric machines at General Electric is summarized, including alloy development, properties, manufacturing trials, prototype experience, potential applications, and future material development. Dual phase soft magnetic laminates provide the flexibility to tune magnetic/non-magnetic state at the desired locations, using solution nitriding treatment with protective mask/coating. This enabling material technology benefits electric machine performance by reducing flux leakage in the laminates. It also decouples the electromagnetic and mechanical design, which opens up the design space for advanced electric machines. Magnetic and mechanical properties of dual phase laminates were compared to commercial FeSi and FeCo soft magnetic laminates. Driven by the market needs for high power density and high-speed electric machines, a synchronous reluctance (SynRel) machine without PMs using dual phase soft magnetic laminates was assessed in machine electromagnetic performance as well as rotor stress analysis by finite element simulation. Successful prototype build and testing further retired manufacturing risks and advanced the technology maturity level. Future material development with higher mechanical strength, higher saturation magnetization, higher permeability, and lower loss are highly desired for ground and air transportation electrification.

Rallabandi, Vandana↗

TensorFlow Quantum: A Software Framework for Quantum Machine Learning

We introduce TensorFlow Quantum (TFQ), an open source library for the rapid prototyping of hybrid quantum-classical models for classical or quantum data. This framework offers high-level abstractions for the design and training of both discriminative and generative quantum models under TensorFlow and supports high-performance quantum circuit simulators. We provide an overview of the software architecture and building blocks through several examples and review the theory of hybrid quantum-classical neural networks. We illustrate TFQ functionalities via several basic applications including supervised learning for quantum classification, quantum control, simulating noisy quantum circuits, and quantum approximate optimization. Moreover, we demonstrate how one can apply TFQ to tackle advanced quantum learning tasks including meta-learning, layerwise learning, Hamiltonian learning, sampling thermal states, variational quantum eigensolvers, classification of quantum phase transitions, generative adversarial networks, and reinforcement learning. We hope this framework provides the necessary tools for the quantum computing and machine learning research communities to explore models of both natural and artificial quantum systems, and ultimately discover new quantum algorithms which could potentially yield a quantum advantage.

Broughton, Michael↗

Potential benefits and optimization of cool-coated office buildings: A case study in Chongqing, China

Increasing envelope facet albedos considerably reduces solar heat gain, thus yielding building cooling energy savings. Few studies have explored the potential benefits of utilizing cool coatings on building envelopes (“cool-coated buildings”) based on life-cycle cost analysis. A holistic approach integrating the field testing, building energy simulation, and a 20-year life-cycle-based optimization was developed to explore cool-coated building performance and the maximum net savings of optimal building envelope retrofit and design. Experimental results showed that applying cool coatings to a west wall of an office building in Chongqing, China reduced its exterior surface temperature by up to 9.3 °C in summer. Additionally, simulation results showed that in Chongqing, making the roof and walls cool could reduce annual HVAC electricity use by up to 11.9% in old buildings (with poorly insulated envelopes) and up to 5.9% in new buildings. Retrofitting old buildings with a cool roof provided the net savings per modified area with present values up to 42.8 CNY/m2; retrofitting a new building with a cool roof or cool walls was not cost-effective. Optimizing both envelope insulation and envelope albedo can achieve 5.6 times the net savings of optimizing the insulation only, and 1.6 times that of optimizing albedo only.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Computational models of direct and indirect X‐ray breast imaging detectors for in silico trials

Abstract Background To facilitate in silico studies that investigate digital mammography (DM) and breast tomosynthesis (DBT), models replicating the variety in imaging performance of the DM and DBT systems, observed across manufacturers are needed. Purpose The main purpose of this work is to develop generic physics models for direct and indirect detector technology used in commercially available systems, with the goal of making them available open source to manufacturers to further tweak and develop the exact in silico replicas of their systems. Methods We recently reported on an in silico version of the SIEMENS Mammomat Inspiration DM/DBT system using an open‐source GPU‐accelerated Monte Carlo x‐ray imaging simulation code (MC‐GPU). We build on the previous version of the MC‐GPU codes to mimic the imaging performances of two other Food and Drug Administration (FDA)‐approved DM/DBT systems, such as Hologic Selenia Dimensions (HSD) and the General Electric Senographe Pristina (GSP) systems. In this work, we developed a hybrid technique to model the optical spread and signal crosstalk observed in the GSP and HSD systems. MC simulations are used to track each x‐ray photon till its first interaction within the x‐ray detector. On the other hand, the signal spread in the x‐ray detectors is modeled using previously developed analytical equations. This approach allows us to preserve the modeling accuracy offered by MC methods in the patient body, while speeding up secondary carrier transport (either electron–hole pairs or optical photons) using analytical equations in the detector. The analytical optical spread model for the indirect detector includes the depth‐dependent spread and collection of optical photons and relies on a pre‐computed set of point response functions that describe the optical spread as a function of depth. To understand the capabilities of the computational x‐ray detector models, we compared image quality metrics like modulation transfer function (MTF), normalized noise power spectrum (NNPS), and detective quantum efficiency (DQE), simulated with our models against measured data. Please note that the purpose of these comparisons with measured data would be to gauge if the model developed as part of this work could replicate commercially used direct and indirect technology in general and not to achieve perfect fits with measured data. Results We found that the simulated image quality metrics such as MTF, NNPS, and DQE were in reasonable agreement with experimental data. To demonstrate the imaging performance of the three DM/DBT systems, we integrated the detector models with the VICTRE pipeline and simulated DM images of a fatty breast model containing a spiculated mass and a calcium oxalate cluster. In general, we found that the images generated using the indirect model appeared more blurred with a different noise texture and contrast as compared to the systems with direct detectors. Conclusions We have presented computational models of three commercially available FDA‐approved DM/DBT systems, which implement both direct and indirect detector technology. The updated versions of the MC‐GPU codes that can be used to replicate three systems are available in open source format through GitHub.

Sengupta, Aunnasha↗

Framework to select robust energy retrofit measures for residential communities

Residential building energy retrofits are essential for enhancing environmental sustainability and reducing energy costs. The selection of retrofit measures is influenced by factors such as building systems, occupant behavior, government policy, weather variability, and climate change, all of which can significantly impact energy performance. Compared to retrofitting individual homes, evaluating and selecting optimal retrofit solutions for an entire community is challenging due to diverse residential compositions and variability present. Therefore, engineering robustness is crucial for ensuring consistent energy performance and resilience across different conditions. In this context, robustness refers to the ability of a retrofit measure to maintain its functionality and remain an optimal choice despite external disturbances or changes in inputs and conditions. This study presents a framework for evaluating the robustness of multiple retrofit measures across various building systems, occupant behaviors, and environmental scenarios at the community level. The framework comprises five key steps: scenario model development, integration of the National Residential Efficiency Measures database, energy performance simulation, cost-benefit aggregation, and retrofit solution selection. Each step enhances the framework’s robustness by incorporating the diversity of building characteristics, occupant behaviors, environmental conditions, retrofit options, and evaluation criteria. The framework’s effectiveness is demonstrated through a case study in southern Michigan in the United States, which includes 63 one-story single-family houses, 121 two-story single-family houses, and 8 townhouses. The study identifies furnace retrofits as the most robust solution for the entire community, consistently achieving source energy reductions of 4.7 %–8.0 % and payback period of 10–20 years across various scenarios. These findings are consistent with previous research, indicating the framework’s potential for broader applications in optimizing community-scale residential energy retrofits.

Shu, Lei↗

Simulation-based assessment of ASHRAE Guideline 36, considering energy performance, indoor air quality, and control stability

This study assesses American Society of Heating, Refrigerating and Air-Conditioning Engineers Guideline 36 (G36) with a typical medium office building. Specifically, this study employed a Modelica model of a variable air volume (VAV) system that serves this building, which includes components for representing indoor virus transmission and filtration. It then implemented the G36 control sequences for both water-side and air-side equipment in Python. After that, this study conducted the assessment by co-simulating G36 and the Modelica model using the Building Operations Testing Framework. Unlike existing works, this work has three unique features: (1) It considers the interactions between control sequences for water-side and air-side equipment of the studied VAV system. (2) It assesses the performance of G36 from the perspective of IAQ. (3) It examines the short-term behaviors of the studied building under G36 to understand the control stability. This assessment confirms significant energy savings from G36, largely because of the interaction between supply air temperature and hot water controls. It also reveals a trade-off between the ability to slow the spread of virus and the energy performance via demand controlled ventilation. Lastly, it emphasizes the necessity of tuning local feedback control when implementing G36.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Molecular Simulation of Functionalized Covalent Organic Framework Membranes for Inorganic Salt Separation

Covalent organic frameworks (COFs) enable molecular-level design of nanochannels for selective separation in pressure-driven membrane processes. Through variation of building blocks and, subsequently, the pore structure and chemistry, membrane performance can be tailored. This study employs nonequilibrium molecular dynamics simulations to theoretically demonstrate the tunable selectivity of COF membranes through a bottom-up functionalization approach. Water and salt transport are evaluated for six β-ketoenamine-linked COFs with varying multilayer thicknesses. For the thinnest multilayer (0.64–0.72 nm), all COFs exhibit low sodium sulfate (Na 2 SO 4 ) rejection (55–66%). However, 20 stacked sheets (6.4–7.2 nm) provide 67–98% rejection, with the sulfonated COF providing the highest Na 2 SO 4 rejection. Analysis of time-resolved ion density profiles reveals that solute rejection is primarily governed by interfacial exclusion arising from pore size and functional group chemistry. Although increasing salt rejection compromises water permeance, the permeance of all COF membranes is at least two orders of magnitude greater than that of a commercially available nanofiltration membrane. Overall, this work guides the rational design of COF membranes for aqueous salt separation.

Nanofiltration↗