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At least 109 records · Page 6

Occupant Protection Project

Topics include occupant protection overview with a focus on crew protection during dynamic phases of flight; occupant protection collaboration; modeling occupant protection; occupant protection considerations; project approach encompassing analysis tools, injury criteria, and testing program development; injury criteria update methodology, unique effects of pressure suits and other factors; and a summary.

Bopp, Genie↗

Multi-Agency Annual Southeastern Beach Mouse Habitat Occupancy Monitoring

The southeastern beach mouse (Peromyscus polionotus niveiventris, hereafter SEBM), a federally threatened species was identified by Merritt Island National Wildlife Refuge (MINWR) as one of the top five priorities for management. The Kennedy Space Center (KSC) Environmental Management Branch was asked to provide support in the form of population monitoring for SEBM on KSC and the surrounding properties. When we began the project, the SEBM was known to occupy sites ranging from Volusia through Brevard and Indian River Counties, but the exact distribution within the Federal lands encompassing the Cape Canaveral Barrier Island Complex (CCBIC) was not well known. The broad range of habitat conditions encompassing the species’ historical range and the diversity of sites historically known to contain SEBM required a landscape-scale approach for both monitoring the population and for investigating species habitat relationships. We designed a monitoring plan for the SEBM with the goal of estimating the habitat occupancy of beach mice annually each winter/spring throughout the entire area of suitable coastal habitat (approximately 72 km linear distance along the beach). Methods were tested in a 2008 pilot study, and during 2010-2018 we monitored the proportion of coastal habitat occupied by the SEBM on the CCBIC. Monitoring was focused on using dynamic habitat occupancy surveys with data collected with rapid assessment techniques (i.e., track tubes or live-traps) to detect SEBM occurrence at sampling stations. An important component of the study design was the use of repeated samples that provided the information needed to estimate detectability. Measuring detectability was required to account for the fact that surveys could fail to detect animals at sites at which they were actually present (Mackenzie et al., 2002). This monitoring framework is very flexible, allowing numerous hypothesis to be tested about how various factors influence beach mouse occupancy using habitat, geographic, and environmental covariates. Our survey has been the longest survey conducted for any of the seven extant beach mouse subspecies and has encompassed nearly the entire remaining range of the SEBM. Although occupancy surveys of other beach mouse subspecies via track tubes have been conducted on the Gulf coast of Florida by Florida Fish and Wildlife Conservation Commission (FWC), United States Fish and Wildlife Service (USFWS), and various universities, we expanded previous methods to fit unique aspects of the SEBM, and thus our study was very different from any of the previous studies. To achieve this specificity, we employed an adaptive approach throughout the study, with all activities aimed at providing managers with information related to environmental compliance and natural resource management on KSC and the surrounding Federal lands.

Eric Douglas Stolen↗

Measuring Metapopulation Characteristics of the Southeastern Beach Mouse on Kennedy Space Center using a Dynamic Habitat Occupancy Approach

The Cape Canaveral Barrier Island Complex (CCBIC) represents the largest (72 km) continuous coastal habitat supporting the core population of the threatened southeastern beach mouse (Peromyscus polionotus niveiventris) in Florida. Despite protection throughout the subspecies’ remaining range, storm activity during the past two decades has de-stabilized coastal dune and coastal strand habitat required for beach mouse survival. Our long-term goal is to provide information to the management process to ensure a sustainable population on the CCBIC in light of sea-level rise, extreme storm events, and continued land development supporting the multi-user spaceport.Because beach mice populations are affected by storms (hurricanes, tropical storms, nor’easters), it is important to understand the species-habitat relations during periods with and without storm impacts. Conventional wisdom is that coastal dune and coastal strand are the preferred habitats, but coastal scrub habitat may be important because it is less affected by storm impacts (e.g., overwash, escarpment, sand deposition, etc.) and thus may serve as a refugia. In addition, genetic studies have shown some evidence for reduced dispersal between regions on CCBIC (Kalkvik et al., 2012; Zimmerman et al., 2015). We compared site occupancy dynamics for coastal dune, coastal strand, and coastal scrub habitat over three quarters (seasons) and determined the pattern of spatial correlation in habitat occupancy dynamics for locations at a range of distances in coastal dune, coastal strand, and coastal scrub habitats along the Kennedy Space Center (KSC) coastline (Figures1 and 2). Although habitat occupancy is very useful for understanding species-habitat relationships,in its simplest form it ignores differences in abundance between sites. Because information on abundance may inform management efforts and provide knowledge regarding status of the population, we tested measuring abundance state based on the number of detections in tracking tubes. Small mammal populations often fluctuate in a cyclic manner over time. These fluctuations make populations more susceptible to extinction and make trend detection more difficult. Efficient methods of measuring abundance across time and space are needed for monitoring trends.The purpose of this project was to:1.Estimate southeastern beach mouse habitat occupancy parameters in coastal dune, coastal strand, and coastal scrub habitats using a combination of tracking tubes and traps; 2.Model the spatial relationships of the effect of habitat (coastal dune, coastal strand, and coastal scrub) on parameters as a function of distance; and 3.Compare the reliability and efficiency of our survey methods and evaluate the potential to develop an abundance index.

Eric Douglas Stolen↗

Numerical Investigation of Occupant Injury Risks During A Realistic Transport Aircraft Crash Conditions

Researchers at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) have conducted a full-scale crash test of a Fokker F28 MK1000 aircraft to investigate the performance of transport aircraft under realistic crash conditions. This crash test was computationally recreated using finite element (FE) human body models (HBMs) to further explore potential injury risks to occupants and analyze the utilization of HBMs in the aerospace crash environment. The Global Human Body Model Consortium (GHBMC) male 50th percentile occupant detailed model (v6.0) and the Toyota Human Model for Safety (THUMS) male 50th percentile occupant model (v6.1) were selected to be used in the crash simulations. The HBMs were simulated in conditions matching those of anthropomorphic test device (ATD) experiments included within the aircraft cabin during the crash test. Seven occupant locations within the cabin were simulated utilizing each of the models. The models were positioned in a neutral upright posture with hands resting on the legs and the feet contacting the floor. Head, brain, neck, and lumbar vertebra injury metrics were calculated for all trials. Both HBM models required minor modifications to stabilize these simulations. The GHBMC model required added erosion for six parts while the THUMS model only required one in order to complete the full simulation. The THUMS model, however, required a much smaller timestep for stability and therefore took significantly more computational time. In addition the GHBMC model includes integrated instrumentation while the THUMS model requires development and implementation of instrumentation. Both models predicted 100% injury risk for lumbar vertebra fracture in all test conditions. This prediction was in family with high lumbar load values measured by the ATDs during the crash test. The THUMS model consistently predicted lower injury risks than the GHBMC model in all three other metrics varying depending on the crash pulse. Overall, the THUMS model required less modifications to allow for this study. However, the GHBMC models significantly faster run time and integrated instrumentation make it a more intuitive model for this research.

Crashworthiness↗

Study of Advanced Occupant Models to Quantify Injury Risk for eVTOL Vehicles

Urban transportation is currently evolving from traditional ground-based vehicles (cars, taxis, and buses) to include air-based electric vertical take-off and landing (eVTOL) vehicles which can be utilized for on-demand transportation, cargo transport, and emergency services. These new eVTOL vehicles are designed to be small, lightweight, and able to operate autonomously without user intervention. Safety is a big part of eventual eVTOL adoption, however gaps in the consideration of safety features exist. Anthropomorphic test devices (ATDs) are used in aerospace crashworthiness standards to quantify occupant injury risk and develop improved safety designs for emergency landing situations, but the ATDs currently used in aircraft certification requirements were developed many decades ago. Developments have occurred over the years involving ATD technology, which includes a host of newer and more biofidelic ATDs such as the Test Device for Human Occupant Restraint (THOR). Increased computing power has also allowed for detailed computational human body models (HBMs) to be created, such as the Global Human Body Model Consortium (GHBMC). This study aims to assess the capability of both HBMs and new ATD designs to identify injury mechanisms within eVTOL relevant emergency landing conditions. Finite element (FE) analysis was used to expand upon full-scale and seat level impact testing conducted by researchers at the National Aeronautics and Space Administration (NASA) to look at effects of occupant model configurations on prediction of injury. The GHBMC HBM and THOR ATD models were simulated in the seat level test conditions to characterize differences between these advanced assessment tools and traditional ATDs in the isolated seat loading environment. Results identified key differences in the responses from each of the models utilized and compared their impact response in head, neck, and spinal injury metrics. The THOR model identified potential risks for head injuries due to head impacts on the seat, however it predicted lower spinal loads than the other occupant surrogates. The GHBMC showed distinctly different biomechanical responses compared to the ATD. The GHBMC model is much more deformable than the ATDs and it exhibited higher distribution of forces and increased sensitivity to the duration of acceleration pulses. Both models incorporated into this study identified key mechanisms for injury that should be considered for passenger safety in the development of these novel aircraft. In addition, this study demonstrated the value of FE modeling for running a variety of complex human surrogates to identify potential injury mechanisms for consideration in regulation and development of new aircraft. Continued research in this field to improve validation these models will only lead to safer aircraft and more comprehensive safety measures.

Crashworthiness↗

Study of Advanced Occupant Models to Quantify Injury Risk for eVTOL Vehicles

Urban transportation is currently evolving from traditional ground-based vehicles (cars, taxis, and buses) to include air-based electric vertical take-off and landing (eVTOL) vehicles which can be utilized for on-demand transportation, cargo transport, and emergency services. These new eVTOL vehicles are designed to be small, lightweight, and able to operate autonomously without user intervention. Safety is a big part of eventual eVTOL adoption, however gaps in the consideration of safety features exist. Anthropomorphic test devices (ATDs) are used in aerospace crashworthiness standards to quantify occupant injury risk and develop improved safety designs for emergency landing situations, but the ATDs currently used in aircraft certification requirements were developed many decades ago. Developments have occurred over the years involving ATD technology, which includes a host of newer and more biofidelic ATDs such as the Test Device for Human Occupant Restraint (THOR). Increased computing power has also allowed for detailed computational human body models (HBMs) to be created, such as the Global Human Body Model Consortium (GHBMC). This study aims to assess the capability of both HBMs and new ATD designs to identify injury mechanisms within eVTOL relevant emergency landing conditions. Finite element (FE) analysis was used to expand upon full-scale and seat level impact testing conducted by researchers at the National Aeronautics and Space Administration (NASA) to look at effects of occupant model configurations on prediction of injury. The GHBMC HBM and THOR ATD models were simulated in the seat level test conditions to characterize differences between these advanced assessment tools and traditional ATDs in the isolated seat loading environment. Results identified key differences in the responses from each of the models utilized and compared their impact response in head, neck, and spinal injury metrics. The THOR model identified potential risks for head injuries due to head impacts on the seat, however it predicted lower spinal loads than the other occupant surrogates. The GHBMC showed distinctly different biomechanical responses compared to the ATD. The GHBMC model is much more deformable than the ATDs and it exhibited higher distribution of forces and increased sensitivity to the duration of acceleration pulses. Both models incorporated into this study identified key mechanisms for injury that should be considered for passenger safety in the development of these novel aircraft. In addition, this study demonstrated the value of FE modeling for running a variety of complex human surrogates to identify potential injury mechanisms for consideration in regulation and development of new aircraft. Continued research in this field to improve validation these models will only lead to safer aircraft and more comprehensive safety measures.

Crashworthiness↗

Application of the DNAS framework expansion to occupant population synthesis

Research in occupant behaviour is now using a more elaborate framework of building occupant interaction. Researchers often face challenges in collecting data, particularly for the data to meet the minimum number of required data points and the data interoperability requirements. Researchers address the first issue with the synthetic population and the latter with data ontologies. While synthetic population is commonly used to address the first issue, data ontology development is used to address the latter. The two solutions are complementary to each other. One of the known ontologies in building occupant behaviour research is the Drivers-Needs-Actions-Systems (DNAS) ontology, which has been used by building modelers to describe energy-related occupant behaviour. This paper describes the ontology-based synthetic population generation that can be used in the agent-based modeling (ABM) applications. This paper considers multiple data sources, including ASHRAE Thermal Comfort DB II and IEA Annex 66 data sets. A case study of an office building is used to present the workflow of DNAS framework expansion, synthetic population generation, and agent-based modeling.

Chandra Putra, Handi↗

Occupancy-Driven Stochastic Decision Framework for Ranking Commercial Building Loads

For effective integration of building operations into the evolving demand response programs of the power grid, real-time decisions concerning the use of building appliances for grid services must excel on multiple criteria, ranging from the added value to occupants' comfort to the quality of the grid services. In this paper, we present a data-driven stochastic decision-support framework to dynamically rank load control alternatives in a commercial building, addressing the needs of multiple decision criteria (e.g. occupant comfort, grid service quality) under uncertainties in occupancy patterns. We adopt a stochastic multi-criteria decision algorithm recently applied to prioritize residential on/off loads, and extend it to i) consider complex load control decisions (e.g. dimming of lights, changing zone temperature set-points) in a commercial building; and ii) systematically integrate zonal occupancy patterns to better identify short-term (and time-varying) opportunities for grid service participation. We evaluate the performance of the proposed framework for curtailment of air-conditioning, lighting, and plug-loads in a multi-zone commercial office building for a range of design choices. With the help of a prototype system that integrates an interactive \textit{Data Analytics and Visualization} frontend we demonstrate a way for the building operators to monitor and change in real-time the available flexibility in energy consumption and to develop trust in the decision recommendations by interpreting the rationale behind the ranking.

Jain, Milan↗

Quantifying Occupant Health and Productivity for Deep Retrofits: Beyond Traditional IEQ Studies

As energy-efficiency standards for both new construction and existing building renovations become more stringent, further reductions become less tractable and more expensive. With increasing interest and rising investment in healthy built environments, integrating energy efficiency with improved occupant experience (i.e., health, comfort, and work performance) offers a new path to drive deep energy retrofits. However, the difficulty in quantifying and verifying health and productivity gains from building upgrades leads to lower valuation of human benefits in practice. Building codes and standards have progressive energy targets but often give minimum requirements to occupant health for factors such as ventilation and thermal comfort. State and federal laws in the United States that govern the energy service performance contract (ESPC) have no clear and consistent guidance on quantifying non-energy benefits and incorporating them into a formal cost-effectiveness analysis. This paper presents a methodology to measure a building’s potential performance improvement regarding occupant health based on existing evidence correlating IEQ to occupant outcomes. Health improvement measures are integrated with a building energy model to identify and measure the impact of holistic improvement strategies. The net present value of these measures is determined based on the investment costs required to attain those improvements, energy savings, and personnel gains. We will discuss results from one pilot building, which showed nearly $50 per square foot 20-year net present value using the integrated approach.

Keene, Kevin M.↗

Occupational Radiation Exposure Report for Calendar Year 2023

The U.S. Department of Energy Occupational Radiation Exposure Report for Calendar 2023 presents the results of analyses of occupational radiation exposures at the U.S. Department of Energy (DOE), including the National Nuclear Security Administration (NNSA) operations, during calendar year 2023. This report includes occupational radiation exposure data for over 80,000 DOE Federal employees, contractors, and subcontractors as well as members of the public who have worked in or entered controlled areas monitored for exposure to radiation. DOE publishes this annual report to provide DOE Management, Program Offices, workers, health physicists, and other stakeholders an evaluation of DOE-wide performance regarding compliance with Title 10 of the Code of Federal Regulations (CFR) Part 835, Occupational Radiation Protection (10 CFR 835) radiation exposure limits and adherence to as low as reasonably achievable principles. This report provides a discussion regarding radiation protection and exposure reporting requirements. It also includes calendar year (CY) 2023 information and analyses regarding aggregate, individual, site, DOE Program, transient individuals’ dose, as well as a historical review of DOE exposure data. DOE continues to be diligent in protecting its workers and the public from exposure to radiation from DOE operations as illustrated by the results contained in this report.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A zone-level occupancy counting system for commercial office spaces using low-resolution time-of-flight sensors

Understanding the locations of occupants in a commercial built environment is critical for realizing energy savings by delivering lighting, heating, and cooling only where it is needed. In this paper, we present an indoor occupancy counting system using a sparse array of inexpensive, low-resolution, and privacy-preserving time-of-flight sensors. We develop and validate an algorithm for zonal occupancy counting that can deal with multiple people walking underneath the sensors in arbitrary directions, and evaluate the system both in realistic simulations of office spaces and in a real-world installation. Finally, we found that our system has an error rate of around 0.4%, resulting in highly accurate person localization and zone counting using only a few sensors per space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Simulation, Challenge Testing and Validation of Solutions for Residential and Commercial Occupancy Sensing/Counting and CO2 Sensing (Final Report)

Carbon dioxide sensors used for monitoring and control applications in buildings are known to be sensitive to long term drift and can be affected by variations in temperature, humidity, other gas interferents, pressure and other factors that cannot be corrected through the typical auto-calibration methods often embedded in the sensor electronics. This investigation was part of the Category D defined in the ARPA-E Saving Energy Nationwide in Structures With Occupancy Recognition (SENSOR) Financial Assistance Funding Opportunity Announcement No. DE-FOA-0001737, FFDA No. 81.135, January 18, 2017. The FOA defined target criteria for the evaluation of the Category C commercial CO2 sensors selected for review and development through the ARPA-E SENSOR program and charged the Iowa State Category D team with developing an evaluation methodology for Category C sensors in accordance with these criteria. As part of the work, the Iowa State team chose to engage the standards community in the development of the evaluation methodology. Standard development work in the D22.05 Indoor Air and D22.03 Ambient Atmospheres and Source Emissions subcommittees of ASTM International Committee D22 on Air Quality on the evaluation of low cost sensors and provision of guidance for using indoor carbon dioxide concentrations to evaluate indoor air quality and ventilation is of particular relevance to the Category D efforts. To date, three draft standards with specific input by the Iowa State Category D team have passed the subcommittee balloting stage and are being balloted in December 2022 and January 2023 in the main D22 committee. In addition to the aforementioned standards to which the PI was a contributing author, intellectual property developed in this project pertaining to “An Automated System for Evaluation of the Long Term Performance of Carbon Dioxide Sensors” and “An Automated Ground Truth System for Real-Time Reliability Assessment, Capture of Control Decisions and Energy Savings Measurements for Occupancy Recognition Systems and Other Applications” are the other major deliverables of the project. These standards and the developed intellectual property are expected to benefit the public in a number of ways stemming from their provision of means to benchmark the performance of carbon dioxide and other sensor systems. In particular, there is high interest in techniques to demonstrate the performance of low-cost carbon dioxide sensors which can be used for typical HVAC applications (e.g., demand controlled ventilation, outdoor and indoor air monitoring, estimation of occupancy, etc.).

42 ENGINEERING↗

Motion tomography via occupation kernels

The goal of motion tomography is to recover a description of a vector flow field using measurements along the trajectory of a sensing unit. In this paper, we develop a predictor corrector algorithm designed to recover vector flow fields from trajectory data with the use of occupation kernels developed by Rosenfeld et al. [9,10]. Specifically, we use the occupation kernels as an adaptive basis; that is, the trajectories defining our occupation kernels are iteratively updated to improve the estimation in the next stage. Initial estimates are established, then under mild assumptions, such as relatively straight trajectories, convergence is proven using the Contraction Mapping Theorem. We then compare the developed method with the established method by Chang et al. [5] by defining a set of error metrics. Here, we found that for simulated data, where a ground truth is available, our method offers a marked improvement over [5]. For a real-world example, where ground truth is not available, our results are similar results to the established method.

97 MATHEMATICS AND COMPUTING↗

Poster Abstract: Investigating Occupancy Profiles Using Convolutional Neural Networks: Preprint

In this paper, we implement a convolutional neural networks based autoencoder to investigate occupancy profiles. We use the American time use survey data, which contains 191,558 schedules with binary occupancy information. Our results suggest that the trained filters provide an important insight of occupancy profiles (i.e., dominant and distinct patterns), and the latent space compresses the profiles with representative information.

14 SOLAR ENERGY↗

A prototype cooling blanket for mitigating occupant overheating risk in a hot indoor environment: Modeling and assessments

Conventional ways of cooling a room or an entire house for occupant thermal comfort during summer consume a significant amount of energy and are vulnerable to overheating risk during power outages that lead to loss of cooling system operations. This study investigates a low-power cooling blanket, as a Personal Cooling System (PCS), that covers the upper human body for direct cooling during a five-day heat wave in a single-family house. A modeling framework is developed for evaluating the thermal and energy performance of the cooling blanket, which builds upon the co-simulation of three models: a house energy model, a personal thermal comfort model, and a cooling blanket model. Simulation results show that under the power outage scenario, the cooling blanket can greatly reduce the occupant heat stress with a reduction of daily hours of exceedance (discomfort hours defined as TSV>2) by up to 17.2 h (a 95.3 % improvement from the baseline power outage without the blanket). The cooling blanket, equipped with an innovative electrocaloric heat pump (COP as high as 10.1) consumes 6.31 W and can be operated by a portable battery for several days. The cooling blanket consumes only 0.28 % of the electricity of a central air-conditioning system running to provide cooling for the whole house during the five-day heatwave period. The findings justify further research of electrocaloric wearable PCS as low-power effective cooling to ensure thermal survivability of occupants during extreme indoor environments.

Electrocaloric heat pump↗

A practical control strategy for demand flexibility with ensured occupant comfort in grid-interactive efficient buildings

This study proposes a practical and simplified demand response (DR) control strategy from the perspective of grid-interactive efficient buildings (GEBs), aiming to secure demand flexibility while ensuring occupant thermal comfort. Focusing on summer on-peak periods, a linear demand response (LDR) strategy that integrates cooling setpoint adjustment and lighting dimming was designed, and its performance was quantitatively evaluated. A case study was conducted using EnergyPlus-based simulations for a U.S. DOE small office prototype building under summer on-peak weather conditions. Compared with a conventional rapid demand response (RDR) strategy, the proposed LDR approach gradually reduced electrical loads while maintaining occupant thermal comfort indices, including predicted mean vote (PMV) and predicted percentage of dissatisfied (PPD), within acceptable comfort ranges. Quantitative analysis of demand flexibility using the grid-interactive impact index (GII) and the flexibility strength index (FSI) showed that the LDR strategy provided approximately 12.5% demand flexibility during DR periods and achieved an electricity cost reduction of about 8.8%. In addition, the results of the part-load ratio (PLR)-based cooling system performance analysis showed that, in the on-peak period, the LDR strategy exhibited improved cooling performance compared with the baseline. Overall, this study shows the potential of a practical DR control strategy that can simultaneously achieve occupant comfort and demand flexibility without relying on complex advanced control technologies.

Jung, Dong Eun↗

Translating nanoparticle dosimetry from conventional in vitro systems to occupational inhalation exposures

As encouraged by Toxicity Testing in the 21st Century, researchers increasingly apply high-throughput in vitro approaches to identify and characterize nanoparticle hazards, including conventional aqueous cell culture systems to assess respiratory hazards. Translating nanoparticle dose from conventional toxicity testing systems to relevant human exposures remains a major challenge for assessing occupational risk of nanoparticle exposures. Here, we explored existing computational tools and data available to translate nanoparticle dose metrics from cellular test systems to inhalation exposures of silver nanoparticles in humans. We used the Multiple-Path Particle Dosimetry (MPPD) Model to predict deposition of humans exposed to 20 and 110 nm silver nanoparticles at 0.9 µg/m3 over an 8 hr period, the proposed a National Institute of Occupational Safety and Health (NIOSH) recommended exposure limit (REL). MPPD predicts 1.88 and 0.98 µg of silver deposited in an 8 hr period for 20 and 110 nm nanoparticles, respectively, with 20 nm particles displaying nearly 11-fold higher total surface area deposited. Peak nanoparticle concentrations occurred more proximal in the pulmonary tract compared to mass deposition patterns (generation 5 vs. generations 20-21, respectively) due to regional differences in lung lining fluid volumes. Assuming 0.4% nanoparticle dissolution by mass as previously measured, we predict peak concentrations of silver ions in cells of 0.24 and 0.17 µg/mL for 20 and 110 nm particles, respectively. Both predicted concentrations are below the measured toxic threshold of 1.7 µg/mL of silver ions in cells from in vitro assessments. Assuming 4% dissolution by mass, we predict 10-fold higher silver concentrations in tissues, peaking at 2.4 and 1.7 µg/mL, for 20 and 110 nm nanoparticles respectively, exceeding the observed in vitro toxic threshold and highlighting the importance and sensitivity of dissolution rates. Overall, this approach offers a framework for extrapolating nanotoxicity results from in vitro cell culture systems to human exposures. Aligning appropriate dose metrics from in vitro and in vivo hazard characterizations and human pulmonary doses from occupational exposures are critical components for successful nanoparticle risk assessment and worker protection and provide guidance for designing future in vitro studies aimed at relevant human exposures.

Smith, Jordan N.↗

Strain-Induced Anion-Site Occupancy in Perovskite Oxyfluoride Films

Anion ordering is a promising route to engineer physical properties in functional heteroanionic materials. A central challenge in the study of anion-ordered compounds lies in developing robust synthetic strategies to control anion occupation and in understanding the resultant implications for electronic structure. Here, we show that epitaxial strain induces preferential occupation of F and O on the anion sites in perovskite oxyfluorides SrMn O2.5-δ F γ films grown on different substrates. Under compressive strain, F tends to occupy the apical-like sites, which was revealed by F and O K-edge linearly polarized x-ray absorption spectroscopy and density functional theory calculations, resulting in an enhanced c-axis expansion. Under tensile strain, F tends to occupy the equatorial-like sites, enabling the longer Mn-F bonds to lie within the plane. The oxyfluoride films exhibit a significant orbital polarization of the 3d electrons, distinct F-site dependence to their valence band density of states, and an enhanced resistivity when F occupies the apical-like anion site compared to the equatorial-like site. By demonstrating a general strategy for inducing preferential anion-site occupancy in oxyfluoride perovskites, this work lays the foundation for future materials design and synthesis efforts that leverage this greater degree of atomic control to realize new polar or quasi-two-dimensional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗