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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomistic Simulations of Thermal and Chemical Expansions of PrNi x Co 1‐x O 3‐δ Accelerated by Machine Learning Potentials

The electrodes and solid-state electrolytes in protonic ceramic electrochemical cells (PCECs) experience significant lattice expansions when exposed to high steam concentrations at elevated temperatures. In this paper, phonon calculations based on a new machine learning potential (MLP) are employed to elucidate the volume expansions of the proton-conducting PrNi x Co 1-x O 3-δ (PNC) lattices, manifested under a combined influence of oxygen vacancies (V$^{\cdot\cdot}_O$ ) and proton uptake (OH$^{\cdot}_O$ ) in the bulk at varying Ni/Co occupancies. It is revealed that the Ni/Co occupancy contributes to thermal and chemical expansions differently, where thermal expansions are related to Co occupancy. In contrast, chemical expansions are more closely associated with the Ni occupancy. Both V$^{\cdot\cdot}_O$ and OH$^{\cdot}_O$ lead to higher thermal expansions when compared to the pristine PNC. The temperature increase will negatively impact the hydration-induced chemical expansions. For combined thermal and chemical expansions, it is predicted that the strategies that boost the PCEC's electrochemical performance may harm the electrode–electrolyte interfacial stability, when the Ni occupancy is high, due to severe chemical expansions. Mitigating chemical expansions of the Ni-abundant PNC will benefit the interfacial stability. Finally, the presented computational methods for phonon calculations, based on emerging machine learning interatomic potential techniques are anticipated to have a lasting impact on future PCEC development.

computational prediction↗
DOE OSTI2021

Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides

The effect of crystallizing solution chemistry on the chemistry of subsequently as-grown materials was investigated for Mo-substituted iron oxides prepared by thermally activated co-precipitation. In the presence of Mo ions, we find that varying the oxidation state of the iron precursor from Fe(II) to Fe(III) causes a progressive loss of atomic long-range order with the stabilization of 2-4 nm particles for the sample prepared with Fe(III). The oxidation state of the Fe precursor also affects the distribution of Fe and Mo cations within the spinel structure. Increasing the Fe precursor oxidation state gives decreased Fe-ion occupation and increased Mo-ion occupation of tetrahedral sites, as revealed by the extended X-ray absorption fine structure. The stabilization of Mo within tetrahedral sites appears to be unexpected, considering the octahedral preferred coordination number of Mo(VI). The analysis of the atomic structure of the sample prepared with Fe(III) indicates a local ordering of vacancies and that the occupation of tetrahedral sites by Mo induces a contraction of the interatomic distances within the polyhedra as compared to Fe atoms. Moreover, the occupancy of Mo into the thermodynamic site preference of a Mo dopant in Fe 2 O 3 assessed by density functional theory calculations points to a stronger preference for Mo substitution at octahedral sites. Hence, we suggest that the synthetized compound is thermodynamically metastable, that is, kinetically trapped. Such a state is suggested to be a consequence of the tetrahedral site occupation by Mo ions. The population of these sites, known to be reactive sites enabling particle growth, is concomitant with the stabilization of very small particles. Furthermore, we confirmed our hypothesis by using a blank experiment without Mo ions, further supporting the impact of tetrahedral Mo ions on the growth of iron oxide nanoparticles. Our findings provide new insights into the relationships between the Fechemistry of the crystallizing solution and the structural features of the as-grown Mo-substituted Fe-oxide materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effective optimization of atomic decoration in giant and superstructurally ordered crystals with machine learning

Crystals with complicated geometry are often observed with mixed chemical occupancy among Wyckoff sites, presenting a unique challenge for accurate atomic modeling. Similar systems possessing exact occupancy on all the sites can exhibit superstructural ordering, dramatically inflating the unit cell size. In this work, a crystal graph convolutional neural network (CGCNN) is used to predict optimal atomic decorations on fixed crystalline geometries. This is achieved with a site permutation search (SPS) optimization algorithm based on Monte Carlo moves combined with simulated annealing and basin-hopping techniques. Our approach relies on the evidence that, for a given chemical composition, a CGCNN estimates the correct energetic ordering of different atomic decorations, as predicted by electronic structure calculations. This provides a suitable energy landscape that can be optimized according to site occupation, allowing the prediction of chemical decoration in crystals exhibiting mixed or disordered occupancy, or superstructural ordering. Verification of the procedure is carried out on several known compounds, including the superstructurally ordered clathrate compound Rb8Ga27Sb16 and vacancy-ordered perovskite Cs2SnI6, neither of which was previously seen during the neural network training. In addition, the critical temperature of an order–disorder phase transition in solid solution CuZn is probed with our SPS routines by sampling site configuration trajectories in the canonical ensemble. This strategy provides an accurate method for determining favorable decoration in complex crystals and analyzing site occupation at unprecedented speed and scale.

Chemistry↗
DOE OSTI2021

Modeling Savings for ENERGY STAR Smart Home Energy Management Systems

The objective of this study was to develop a repeatable and defensible methodology to analyze the energy savings for Home Energy Management Systems (HEMS) that meets the minimum requirements for certification under ENERGY STAR ® Smart Home Energy Management System (SHEMS) Version 1. Mandatory connected loads include a smart thermostat, two smart lights, and one smart power strip or smart outlet. Control strategies must include feedback to occupants through an in-home display, user programming, occupancy sensor-based controls, and responsiveness to utility signals such as demand response programs. Several occupant behavior patterns were selected to quantify the range of energy savings potential for a HEMS with this basic functionality. A literature review was conducted to establish realistic room-by-room occupancy levels and usage patterns for connected devices. A series of event-driven hourly profiles were created, followed by adjustments based on application of HEMS control strategies to thermostats, interior lighting, and plug load schedules. EnergyPlus modeling was performed using these hourly schedules in three locations (Boston, Houston, and Phoenix) to examine climate dependence of energy savings. Total site energy savings ranged from 4.3 to 27.1 MBtu/year (7%-35%), and utility bill savings ranged from $\$$123 to $\$$670/year (6%-29%). The highest predicted savings was realized by occupants that were not energy conscious prior to HEMS installation, but highly engaged with the HEMS controls once the system was installed. The smart thermostat accounted for most of the savings, followed by the smart power strip. Smart lighting did not save a significant amount of energy in our analysis, based on an assumption that efficient LEDs with no standby power would normally be installed anyway.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Micro-Environmental Control System (Final Report)

This project developed an innovative micro-environmental control system (µX) that enables office buildings to reduce energy used for heating and cooling by 15% or more. The µX is a compact, quiet, and ergonomic device that is designed to be installed under an office workstation; it is designed to maintain occupant comfort when room thermostat setpoints are incremented by 4°F or more (warmer in the summer and cooler in the winter) to save energy. When ambient room temperatures are outside of the usual comfort range, the µX maintains occupant comfort by delivering personalized cooling or heating locally to each office worker. The µX provides personalized cooling using a micro vapor compression system that includes a new high-performance micro-scroll compressor and a novel thermal storage unit. The vapor compression system operates at night to freeze a phase-change material (PCM). During the workday, the cooling stored in the PCM is released as a cool breeze of air to make occupants more comfortable. The micro-scroll compressor was developed specifically for this application; it is smaller than any of its type, minimizing the amount of power needed. In heating mode, the µX maintains occupant comfort using a foot heating mat with an infrared reflective box. The µX R&D project was conducted by Syracuse University in collaboration with United Technologies Research Center, Air Innovations, Bush Technical, and Cornell University. Over the course of the initial three-year project, the team developed and evaluated four versions of the unit, advancing the concept to Technology Readiness Level 6. The capabilities of individual proof-of-concept prototypes were verified in tests that were conducted with: 1) units in psychrometric chambers, 2) an instrumented manikin in a laboratory, and 3) human subjects in laboratories that simulate office environments. The tests verified that the µX prototypes met or exceeded all performance targets required to enable office buildings to reduce energy used for heating and cooling by 15% or more by maintaining occupant comfort when thermostat setpoints are incremented by 4°F or more.

25 ENERGY STORAGE↗
DOE OSTI2023

Spatially Adaptive Tunable Lighting Control System with Expanded Wellness and Energy Saving Benefits

Lighting design is becoming increasingly complex, including active dimming for energy savings and spectral tuning for human wellbeing. Modern commercial lighting control systems are already difficult to use, and maintain, and even with so-called Smart Lighting, optimizing light settings is rapidly exceeding the capabilities of direct human control, limiting the adoption of lighting control systems. The growing importance of Occupancy Centric Controls (OCC) for advanced building management systems can be applied to the development of autonomous lighting system controls needed to drive the adoption of advanced lighting controls for improved adaptive “sculpted illumination” for both greater energy savings and broader human wellbeing perspectives. This project, led by Rensselaer Polytechnic Institute, entitled “Spatially adaptive tunable lighting control system with expanded wellness and energy saving benefits” will develop and test an entirely new platform for automated optimized lighting design and control that requires little or no human engagement, yet contours lighting profiles automatically to minimize lighting energy use. We call this approach to lighting control “dynamic light sculpting” since the right amount of illumination is automatically delivered to occupants in real time. Since the system uses new, privacy-preserving occupant position and pose detection technologies developed by Rensselaer for broad OCC building applications, the control system will analyze how to deliver the right amount of the right type of illumination only where and when it is needed based these OCC platforms. To create these powerful autonomous lighting control platforms, the project will integrate evolving augmented reality (AR) and virtual reality (VR) tools with sophisticated lighting and interior design toolkits to create interactive lighting design and control simulators. Using the quickly growing paradigm of digital twins, these tools will integrate light fixture properties, occupancy sensor data, interior design data, and lighting specifications to accurately visualize how various design concepts interact with simulated yet realistic human activities that occur in commercial office buildings of various types. These advanced digital twin design and simulation tools will be combined with a new class of digitally-programmable LED lighting fixtures that can dynamically change the spectral content and direction of light emission. When fully integrated, the new autonomous lighting control system will take all of the guesswork out of optimizing light quality while minimizing energy consumption. Digital twin tools will simplify the design, installation, commissioning, operation, and maintenance of future energy-efficient lighting systems. It should be possible to reduce lighting energy costs from 40% to 70% with OCC based dynamic light sculpting systems. The work will be led by the Center for Lighting Enabled Systems and Applications (LESA) and the Center for Architectural Science and Ecology (CASE), both at Renssealer Polytechnic Institute; Lumileds, a global leader in the development of advanced LED systems; and HKS, a leading global architecture design firm. This interdisciplinary project team’s experience includes all of the design simulation tools, VR/AR digital twin visualization technology, advanced occupancy sensing technology, and complex control system design capabilities that will revolutionize lighting design and control technology to autonomously deliver high-quality lighting that improves human health and wellbeing while simultaneously maximizing lighting energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1998

Advanced Air Bag Technology Assessment

As a result of the concern for the growing number of air-bag-induced injuries and fatalities, the administrators of the National Highway Traffic Safety Administration (NHTSA) and the National Aeronautics and Space Administration (NASA) agreed to a cooperative effort that "leverages NHTSA's expertise in motor vehicle safety restraint systems and biomechanics with NASAs position as one of the leaders in advanced technology development... to enable the state of air bag safety technology to advance at a faster pace..." They signed a NASA/NHTSA memorandum of understanding for NASA to "evaluate air bag to assess advanced air bag performance, establish the technological potential for improved technology (smart) air bag systems, and identify key expertise and technology within the agency (i.e., NASA) that can potentially contribute significantly to the improved effectiveness of air bags." NASA is committed to contributing to NHTSAs effort to: (1) understand and define critical parameters affecting air bag performance; (2) systematically assess air bag technology state of the art and its future potential; and (3) identify new concepts for air bag systems. The Jet Propulsion Laboratory (JPL) was selected by NASA to respond to the memorandum of understanding by conducting an advanced air bag technology assessment. JPL analyzed the nature of the need for occupant restraint, how air bags operate alone and with safety belts to provide restraint, and the potential hazards introduced by the technology. This analysis yielded a set of critical parameters for restraint systems. The researchers examined data on the performance of current air bag technology, and searched for and assessed how new technologies could reduce the hazards introduced by air bags while providing the restraint protection that is their primary purpose. The critical parameters which were derived are: (1) the crash severity; (2) the use of seat belts; (3) the physical characteristics of the occupants; (4) the proximity of the occupants to the airbag module; (5) the deployment time, which includes the time to sense the need for deployment, the inflator response parameters, the air bag response, and the reliability of the air bag. The requirements for an advanced air bag technology is discussed. These requirements includes that the system use information related to: (1) the crash severity; (2) the status of belt usage; (3) the occupant category; and (4) the proximity to the air bag to adjust air bag deployment. The parameters for the response of the air bag are: (1) deployment time; (2) inflator parameters; and (3) air bag response and reliability. The state of occupant protection advanced technology is reviewed. This review includes: the current safety restraint systems, and advanced technology characteristics. These characteristics are summarized in a table, which has information regarding the technology item, the potential, and an date of expected utilization. The use of technology and expertise at NASA centers is discussed. NASA expertise relating to sensors, computing, simulation, propellants, propulsion, inflatable systems, systems analysis and engineering is considered most useful. Specific NASA technology developments, which were included in the study are: (1) a capacitive detector; (2) stereoscopic vision system; (3) improved crash sensors; (4) the use of the acoustic signature of the crash to determine crash severity; and (5) the use of radar antenna for pre-crash sensing. Information relating to injury risk assessment is included, as is a summary of the areas of the technology which requires further development.

Phen, R. L.↗
NASA NTRS2006

The Flostation - an Immersive Cyberspace System

A flostation is a computer-controlled apparatus that, along with one or more computer(s) and other computer-controlled equipment, is part of an immersive cyberspace system. The system is said to be immersive in two senses of the word: (1) It supports the body in a modified form neutral posture experienced in zero gravity and (2) it is equipped with computer-controlled display equipment that helps to give the occupant of the chair a feeling of immersion in an environment that the system is designed to simulate. Neutral immersion was conceived during the Gemini program as a means of training astronauts for working in a zerogravity environment. Current derivatives include neutral-buoyancy tanks and the KC-135 airplane, each of which mimics the effects of zero gravity. While these have performed well in simulating the shorter-duration flights typical of the space program to date, a training device that can take astronauts to the next level will be needed for simulating longer-duration flights such as that of the International Space Station. The flostation is expected to satisfy this need. The flostation could also be adapted and replicated for use in commercial ventures ranging from home entertainment to medical treatment. The use of neutral immersion in the flostation enables the occupant to recline in an optimal posture of rest and meditation. This posture, combines savasana (known to practitioners of yoga) and a modified form of the neutral posture assumed by astronauts in outer space. As the occupant relaxes, awareness of the physical body is reduced. The neutral body posture, which can be maintained for hours without discomfort, is extended to the eyes, ears, and hands. The occupant can be surrounded with a full-field-of-view visual display and nearphone sound, and can be stimulated with full-body vibration and motion cueing. Once fully immersed, the occupant can use neutral hand controllers (that is, hand-posture sensors) to control various aspects of the simulated environment.

Park, Brian↗
NASA NTRS2013

The Lifetime Surveillance of Astronaut Health (LSAH) Project

From 1989-2010 NASA conducted a research study, the Longitudinal Study of Astronaut Health, to investigate the incidence of acute and chronic morbidity and mortality in astronauts and to determine whether their occupational exposures were associated with increased risk of death or disability. In 2004, the Institute of Medicine recommended that NASA convert the longitudinal study into an occupational health surveillance program and in 2010, NASA initiated the Lifetime Surveillance of Astronaut Health project. The new program collects data on astronaut workplace exposures, especially those occurring in the training and space flight environments, and conducts operational and health care analyses to look for trends in exposure and health outcomes. Astronaut selection and retention medical standards are rigorous, requiring an extensive clinical testing regimen. As a result, this employee population has contributed to a large set of health data available for analyses. Astronauts represent a special population with occupational exposures not typically experienced by other employee populations. Additionally, astronauts are different from the general population in terms of demographic and physiologic characteristics. The challenges and benefits of conducting health surveillance for an employee population with unique occupational exposures will be discussed. Several occupational surveillance projects currently underway to examine associations between astronaut workplace exposures and medical outcomes will be described.

Bopp, Eugenia↗
NASA NTRS2014

Evaluation of the First Transport Rotorcraft Airframe Crash Testbed (TRACT 1) Full-Scale Crash Test

In 2012, the NASA Rotary Wing Crashworthiness Program initiated the Transport Rotorcraft Airframe Crash Testbed (TRACT) research program by obtaining two CH-46E helicopters from the Navy CH-46E Program Office (PMA-226) at the Navy Flight Readiness Center in Cherry Point, North Carolina. Full-scale crash tests were planned to assess dynamic responses of transport-category rotorcraft under combined horizontal and vertical impact loading. The first crash test (TRACT 1) was performed at NASA Langley Research Center's Landing and Impact Research Facility (LandIR), which enables the study of critical interactions between the airframe, seat, and occupant during a controlled crash environment. The CH-46E fuselage is categorized as a medium-lift rotorcraft with fuselage dimensions comparable to a regional jet or business jet. The first TRACT test (TRACT 1) was conducted in August 2013. The primary objectives for TRACT 1 were to: (1) assess improvements to occupant loads and displacement with the use of crashworthy features such as pre-tensioning active restraints and energy absorbing seats, (2) develop novel techniques for photogrammetric data acquisition to measure occupant and airframe kinematics, and (3) provide baseline data for future comparison with a retrofitted airframe configuration. Crash test conditions for TRACT 1 were 33-ft/s forward and 25-ft/s vertical combined velocity onto soft soil, which represent a severe, but potentially survivable impact scenario. The extraordinary value of the TRACT 1 test was reflected by the breadth of meaningful experiments. A total of 8 unique experiments were conducted to evaluate ATD responses, seat and restraint performance, cargo restraint effectiveness, patient litter behavior, and photogrammetric techniques. A combination of Hybrid II, Hybrid III, and ES-2 Anthropomorphic Test Devices (ATDs) were placed in forward and side facing seats and occupant results were compared against injury criteria. Loads from ATDs in energy absorbing seats and restraints were within injury limits. Severe injury was likely for ATDs in forward facing passenger seats, legacy troop bench seats, and a three-tiered patient litter. In addition, two standing ATDs were used to evaluate the benefit of Mobile Aircrew Restraint Systems (MARS) versus a standard gunner's belt. The ATD with the MARS survived the impact, while fatal head blunt trauma occurred for the standing ATD held by the legacy gunner's belt. In addition to occupant loading, the structural response of the airframe was assessed based on accelerometers located throughout the airframe and using three-dimensional photogrammetric techniques. Analysis of the photogrammetric data indicated regions of maximum deflection and permanent deformation.

Annett, Martin S.↗
NASA NTRS2019

Evaluation of Impact Energy Attenuators and Composite Material Designs of a UAM VTOL Concept Vehicle

The development of Vertical Take-off and Landing (VTOL) vehicles for the Urban Air Mobility (UAM) markets presents a need for light weight vehicle structures with effective occupant protection capabilities. The National Aeronautics and Space Administration (NASA) has been working to fill that need, recently developing a cadre of concept vehicles to help characterize UAM design feasibility. This paper describes a study, using these concept vehicles, to evaluate the use of advanced composite structure and energy attenuating designs in the UAM vehicle design space. A finite element model (FEM) of a single passenger quadrotor concept vehicle was developed in LS-Dyna® and simulated under nominal and off-nominal vertical impact conditions. A variety of energy attenuating design mechanisms were implemented within this model to quantify their effectiveness in improving occupant safety. The use of carbon composites in both the energy attenuation mechanisms and vehicle structure was evaluated. The results of this study found significant reduction in occupant injury risk with the implementation of energy absorbing composite crush tubes and landing gear within the vehicle design. Additionally the use of a carbon fiber as a structural material was found to provide significant weight reduction while maintaining similar occupant loads to that predicted with an aluminum structure. This work provides a preliminary evaluation of design mechanisms and materials that may be used to optimize occupant protection capabilities within the UAM market.

Putnam, Jacob↗
NASA NTRS2019

Safe2Ditch Steer-To-Clear Development and Flight Testing

This paper describes a series of small unmanned aerial system (sUAS) flights performed at NASA Langley Research Center in April and May of 2019 to test a newly added Steer-to-Clear feature for the Safe2Ditch (S2D) prototype system. S2D is an autonomous crash management system for sUAS. Its function is to detect the onset of an emergency for an autonomous vehicle, and to enable that vehicle in distress to execute safe landings to avoid injuring people on the ground or damaging property. Flight tests were conducted at the City Environment Range for Testing Autonomous Integrated Navigation (CERTAIN) range at NASA Langley. Prior testing of S2D focused on rerouting to an alternate ditch site when an occupant was detected in the primary ditch site. For Steer-to-Clear testing, S2D was limited to a single ditch site option to force engagement of the Steer-to-Clear mode. The implementation of Steer-to-Clear for the flight prototype used a simple method to divide the target ditch site into four quadrants. An RC car was driven in circles in one quadrant to simulate an occupant in that ditch site. A simple implementation of Steer-to- Clear was programmed to land in the opposite quadrant to maximize distance to the occupant’s quadrant. A successful mission was tallied when this occurred. Out of nineteen flights, thirteen resulted in successful missions. Data logs from the flight vehicle and the RC car indicated that unsuccessful missions were due to geolocation error between the actual location of the RC car and the derived location of it by the Vision Assisted Landing component of S2D on the flight vehicle. Video data indicated that while the Vision Assisted Landing component reliably identified the location of the ditch site occupant in the image frame, the conversion of the occupant’s location to earth coordinates was sometimes adversely impacted by errors in sensor data needed to perform the transformation. Logged sensor data was analyzed to attempt to identify the primary error sources and their impact on the geolocation accuracy. Three trends were observed in the data evaluation phase. In one trend, errors in geolocation were relatively large at the flight vehicle’s cruise altitude, but reduced as the vehicle descended. This was the expected behavior and was attributed to sensor errors of the inertial measurement unit (IMU). The second trend showed distinct sinusoidal error for the entire descent that did not always reduce with altitude. The third trend showed high scatter in the data, which did not correlate well with altitude. Possible sources of observed error and compensation techniques are discussed.

Petty, Bryan J.↗
DOE OSTI2022

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Pd–Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd–Zn system, delineating phase boundaries and enumerating site occupancies within intermediate alloy phases, is essential to determining the ensembles of Pd–Zn atoms as a function of composition and temperature. Combining the present extensive first-principles calculations based on density functional theory (DFT) and available experimental data, the Pd–Zn system was remodeled using the CALculation of PHAse Diagrams (CALPHAD) approach. High throughput modeling tools with uncertainty quantification, i.e., ESPEI and PyCalphad, were incorporated in the phase analysis. Here, the site occupancies across the γ phase composition region were given special attention. A four-sublattice model was used for the γ phase owing to its four Wyckoff positions, i.e., the outer tetrahedral (OT) site 8c, the inner tetrahedral (IT) site 8c, the octahedral (OH) site 12e, and the cuboctahedral (CO) site 24g. The site fractions of Pd and Zn calculated from the present thermodynamic model show the occupancy preference of Pd in the OT and OH sublattices in agreement with experimental observations. The force constants obtained from DFT-based phonon calculations further supports the tendency of Pd occupying the OH sublattice compared with the IT and CO sublattice. The catalytic ensembles changing from Pd monomers (Pd 1 ) to trimers (Pd 3 ) on the surface of γ phase are attributed to the increase of Pd occupancy in the OH sublattice.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Comparison of the performance of TLD, OSL and RPL personal dosimetry systems to the American National Standard Institute (ANSI) test categories

The Laboratory Accreditation Program (LAP) tests the capability and performance of the United States Department of Energy's (USDOE) facilities to accurately measure and quantify the whole-body and extremity radiation equivalent doses to the occupational workers. The dosimetry methods used in personal dosimetry can be Thermoluminescence (TL), Optically Stimulated Luminescence (OSL) and Radiophotoluminescence (RPL), among other techniques available. Currently, the TL (LiF:Mg,Ti) and OSL (Al 2 O 3 :C) dosimetry systems are DOELAP-accredited for occupational dose measurements and regulatory reporting. In this study, the performance of a beryllium oxide (BeO) OSL dosimetry system and of a silver-doped phosphate glass RPL dosimetry system is compared against the performance of an accredited LiF:Mg,Ti TL dosimetry system. The bias and standard deviation in each of the performance test categories are compared between these three systems for exposures to photons, beta, and mixed radiation fields with the criteria established by the American National Standard Institute (ANSI) and Health Physics Society (HPS) N13.11-2022 standard. The practical implementation of the dosimetry program and its equivalency to the occupational personal equivalent dose H p (0.07) and H p (10) measurements were evaluated. The TL, OSL and RPL dosimetry systems passed the ANSI performance test criteria for H p (0.07) and H p (10) occupational dose measurements and met the DOELAP accreditation requirements.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

Aggregate residential demand flexibility behavior: A novel assessment framework

Residential demand flexibility (DF) could save the U.S. electric grid up to 10 GW of peak demand while supporting increased amounts of renewable generation. However, less than 40% of the estimated DF peak reduction capacity is currently realized, and less than 8% of American households are enrolled. These low participation rates are combined with high rates of "overriding" a DF event and eventual opt-outs among enrolled customers. There is still not a comprehensive understanding of the drivers of DF participation and occupant interaction with DF program signals. We, therefore, present a novel survey processing framework to assess occupant DF-relevant behavior from the American Time Use Survey (ATUS). Using the framework, we summarize both the extensive and intensive behavior of more than 200,000 ATUS respondents (2003-2018 data) and provide insights on the DF-relevant behavior of residential occupants, which is generally overlooked in the literature. Here we use the framework to identify the activity priorities of residential occupants in the United States during different DF-relevant periods (critical peak, peak, and off-peak). These preferred activities capture overlooked routine behaviors that could be barriers to DF participation, if ignored, and might explain the high levels of overrides often exhibited by participants of demand response.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Hardware-in-the-loop Laboratory Performance Verification of Flexible Building Equipment in a Typical Commercial Building

This project aims to develop high-resolution equipment performance and occupant data that quantifies demand flexibility in typical commercial buildings. The dataset documented in this report includes comprehensive time-series measurements from hardware-in-the-loop (HIL) experiments conducted across multiple testbeds designed to simulate realistic operational environments for HVAC systems. Specifically, it captures minute-by-minute high-resolution data on the performance of various typical HVAC systems, including a variable-air-volume (VAV) air handling unit (AHU) system with chillers and an ice tank in the Intelligent Building Agents Laboratory (IBAL) at the National Institute of Standards and Technology (NIST), a two-stage air-source heat pump (ASHP) at the NIST, and a water-source heat pump (WSHP) at Texas A&M University (TAMU). The data were generated under a range of controlled conditions reflecting different grid scenarios and climatic influences, as well as various control strategies, building types, occupancy patterns, and occupant behaviors. This dataset provides DE-EE0009153 Final Report 5 detailed insights into the demand flexibility of these systems, including their response to grid signals, occupant behaviors, energy consumption patterns, and operational efficiency under different conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

AlphaBuilding - Synthetic Buildings Operation Dataset

This is a synthetic building operation dataset which includes HVAC, lighting, miscellaneous electric loads (MELs) system operating conditions, occupant counts, environmental parameters, end-use and whole-building energy consumptions at 10-minute intervals. The data is created with 1395 annual simulations using the U.S. DOE detailed medium-sized reference office building, and 30 years' historical weather data in three typical climates including Miami, San Francisco, and Chicago. Three energy efficiency levels of the building and systems are considered. Assumptions regarding occupant movements, occupants' diverse temperature preferences, lighting, and MELs are adopted to reflect realistic building operations. A semantic building metadata schema - BRICK, is used to store the building metadata. The dataset is saved in a 1.2 TB of compressed HDF5 file. This dataset can be used in various applications, including building energy and load shape benchmarking, energy model calibration, evaluation of occupant and weather variability and their influences on building performance, algorithm development and testing for thermal and energy load prediction, model predictive control, policy development for reinforcement learning based building controls.

AlphaBuilding↗
DOE OSTI2024

Surface triggered stabilization of metastable charge-ordered phase in SrTiO 3

Charge ordering (CO), characterized by a periodic modulation of electron density and lattice distortion, has been a fundamental topic in condensed matter physics, serving as a potential platform for inducing novel functional properties. The charge-ordered phase is known to occur in a doped system with high d-electron occupancy, rather than low occupancy. Here, we report the realization of the charge-ordered phase in electron-doped (100) SrTiO 3 epitaxial thin films that have the lowest d-electron occupancy i.e., d 1 -d 0 . Theoretical calculation predicts the presence of a metastable CO state in the bulk state of electron-doped SrTiO 3 . Atomic scale analysis reveals that (100) surface distortion favors electron-lattice coupling for the charge-ordered state, and triggering the stabilization of the CO phase from a correlated metal state. This stabilization extends up to six unit cells from the top surface to the interior. Our approach offers an insight into the means of stabilizing a new phase of matter, extending CO phase to the lowest electron occupancy and encompassing a wide range of 3d transition metal oxides.

36 MATERIALS SCIENCE↗