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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High-Resolution Regional Wave Hindcast for Hawaii

This report summarizes modeling efforts for hindcasting of wave climate within the exclusive economic zone (EEZ) around the state of Hawaii. Specifically, the report provides detailed description of model mesh development, sensitivity analysis of the configuration of model parameters, data used for model forcing and validation, model skill assessment, and model outputs for resource characterization. The unstructured, nested-grid modeling approach incorporates a regional high-resolution SWAN (Simulating WAves Nearshore) model within the global-regional WAVEWATCH III® (WW3) wave model. The models were configured to comply with the International Electrotechnical Commission (IEC) Technical Standards for wave energy resource characterization. The SWAN model domain covers the entire EEZ with a spatial resolution of approximately 300 m in the nearshore region. Two levels of WW3 nested grids, from 0.5 arc-degree at global to 7.5 arc-minute at regional scale, were used to provide boundary conditions that drive the high-resolution nearshore SWAN model. The WW3 and SWAN models were forced by 0.5 arc-degree Climate Forecast System Reanalysis wind and 5 km regional Weather Research and Forecasting wind, respectively. Wave resource and bulk wave parameters were simulated for a 32-year period from 1979 to 2010, and were subsequently validated using wave buoy data within the model domain. Model performance was evaluated using a set of error statistics. Overall, the model shows good skills in reproducing the wave climate in the Hawaii EEZ in both spatial and temporal domains. Comparisons of time series and scatter plots for the six IEC resource parameters and the associated error statistics tables, and horizontal two-dimensional plots of annually averaged and monthly averaged IEC parameters are provided.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Seasonal Cost-Benefit Analysis of Automated Distribution Feeder Upgrades with Advanced Mitigation Technologies

The increasing deployment of distributed solar photovoltaics (DPV) to meet clean energy goals can trigger adverse grid operation issues, such as voltage excursions and the violation of thermal loading constraints of the power delivery elements (e.g., lines and transformers) on the evolving electricity infrastructure. Such integration issues would require distribution upgrades with associated costs to mitigate them and to maintain reliable and resilient grid operating conditions. Traditional distribution network upgrade approaches use a specific single snapshot analysis that is overly conservative. This study considers a multi-time point analysis to capture both moderate (probable bounds) and extreme grid operating conditions using time points such as minimum load with minimum photovoltaics (PV), maximum load with maximum PV, maximum load with minimum PV, and minimum load with maximum PV. Further, this study investigates seasonal variation impacts and associated distribution upgrade costs for a spring season case (March, representing a low load and high PV scenario) and a summer case (July, representing a high load and high PV scenario). Such seasonal analysis will allow system operators to characterize upgrade requirements and associated costs across various periods. Because the spatial distribution of DPV can impact upgrade and associated costs, this study investigates three common DPV deployment scenarios - randomly deployed, close to the substation, and far from the substation - at different penetration levels. Apart from spatial distribution impacts, this project evaluates the techno-economic impacts of the nodal photovoltaic penetration factor (NPPF) for generating the various DPV deployment scenarios at increasing penetration levels. This project investigates the impact of varying nodal PV-to-load ratios using conservative and extreme NPPF values of 3 and 10, respectively. This study investigates the deployment of traditional infrastructure upgrade strategies, such as installing new voltage regulating equipment, transformers and lines replacements, and the activation of advanced inverter functionality (e.g., autonomous volt/VAR) in expanding PV hosting capacity. Existing DPV systems are assumed to operate with the legacy unity power factor, and we considered the possibility of retrofitting such systems with the activation of volt/VAR control as integration standards and regulations continue to evolve to allow such functions. The cost-benefit analysis metrics used in study include distribution upgrade costs, average cost per watt of the upgrade cost, average marginal cost per watt of the upgrade cost, and power losses.

14 SOLAR ENERGY↗
DOE OSTI2022

Data used in Wainwright, H.M. et al. 2021, “Watershed zonation through hillslope clustering for tractably quantifying above- and belowground watershed heterogeneity and functions”

This data package contains spatial data layers and processing scripts used in Wainwright, H.M. et al. 2021, “Watershed zonation approach for tractably quantifying above-and- belowground watershed heterogeneity and functions”. The purpose of the data and paper is to develop a watershed zonation approach for characterizing watershed organization and function in a tractable manner by applying clustering methods to multiple spatial data layers. The data package contains the geotiff files of spatial data layers, and the processed data values corresponding to the figures in the paper. The Data_description file describe each file in details. The spatial data sets (geotiff) are included in the zip files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multiscale investigation of thermomechanical and compositional developments in Ni alloy 718 under laser processing

Laser processing has been widely employed in various applications due to its exceptional spatial resolution. However, the rapid temperature gradients generated in localized areas present significant challenges for experimental characterization using conventional instruments. To characterize Ni alloy 718 during laser processing, we employed in-situ synchrotron X-ray diffraction with a high-speed detector, a method particularly well-suited for probing processes with high temporal and spatial resolution. Through a series of in-situ experiments, we investigated the local variations in the evolution of microstructures and thermomechanical behaviors within a keyhole mode melt pool. The in situ macroscopic thermomechanical behaviors were quantified using an empirical model derived from diffraction patterns, with experimental results showing reasonable agreement with finite element analysis. Various laser parameters were tested to assess their influences on the residual strains in the melt pools. The results revealed that the residual strain in the keyhole mode melt pool is relatively insensitive to variations in the parameters and is smaller than that in the melt pool created under conduction mode laser scanning. Additionally, we analyzed the shapes of individual diffraction spots, providing insights into the plastic behaviors and compositional developments in the resolidified alloy. The analysis confirmed that compositional variations in a dendritic microstructure manifest as asymmetric broadening of the diffraction spots.

Ni alloy 718↗
DOE OSTI2019

Continuum stress intensity factors from atomistic fracture simulations

Stress intensity factors (SIFs) are utilized in continuum fracture mechanics to quantify the stress fields surrounding a crack in a homogeneous material in the linear elastic regime. Critical values of the SIFs define an intrinsic measure of the resistance of a material to propagate a crack. At atomic scales, yet, fracture occurs as a series of atomic bonds breaking, differing from the continuum description. As a consequence, a formal analog of the continuum SIFs calculated from atomistic simulations can have spatially localized, microstructural contributions that originate from varying bond configurations. The ability to characterize fracture at the atomic scale in terms of the SIFs offers both an opportunity to probe the effects of chemistry, as well as how the addition of a microstructural component affects the accuracy. We present a novel numerical method to determine SIFs from molecular dynamics (MD) simulations. The accuracy of this approach is first examined for a simple model, and then applied to atomistic simulations of fracture in amorphous silica. MD simulations provide time and spatially dependent SIFs, with results that are shown to be in good agreement with experimental values for fracture toughness in silica glass.

42 ENGINEERING↗
DOE OSTI2018

Regional surname affinity: A spatial network approach

Abstract Objective We investigate surname affinities among areas of modern‐day China, by constructing a spatial network, and making community detection. It reports a geographical genealogy of the Chinese population that is result of population origins, historical migrations, and societal evolutions. Materials and methods We acquire data from the census records supplied by China's National Citizen Identity Information System, including the surname and regional information of 1.28 billion registered Chinese citizens. We propose a multilayer minimum spanning tree (MMST) to construct a spatial network based on the matrix of isonymic distances, which is often used to characterize the dissimilarity of surname structure among areas. We use the fast unfolding algorithm to detect network communities. Results We obtain a 10‐layer MMST network of 362 prefecture nodes and 3,610 edges derived from the matrix of the Euclidean distances among these areas. These prefectures are divided into eight groups in the spatial network via community detection. We measure the partition by comparing the inter‐distances and intra‐distances of the communities and obtain meaningful regional ethnicity classification. Discussion The visualization of the resulting communities on the map indicates that the prefectures in the same community are usually geographically adjacent. The formation of this partition is influenced by geographical factors, historic migrations, trade and economic factors, as well as isolation of culture and language. The MMST algorithm proves to be effective in geo‐genealogy and ethnicity classification for it retains essential information about surname affinity and highlights the geographical consanguinity of the population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Regional Relative Risk, a Physics-Based Metric for Characterizing Airborne Infectious Disease Transmission

Airborne infectious disease transmission events occur over a wide range of spatial scales and can be an important means of disease transmission. Physics- and biology-based models can assist in predicting airborne transmission events, overall disease incidence, and disease control strategy efficacy. We describe a new theory that extends current approaches for the case in which an individual is infected by a single airborne particle, including the scenario in which numerous infectious particles are present in the air but only one causes infection. A single infectious particle can contain more than one pathogenic microorganism and be physically larger than the pathogen itself. This approach allows robust relative risk estimates even when there is wide variation in (i) individual exposures and (ii) the individual response to that exposure (the pathogen dose-response function can take any mathematical form and vary by individual). Based on this theory, we propose the regional relative risk—a new metric, distinct from the traditional relative risk metric, that compares the risk between two regions. In theory, these regions can range from individual rooms to large geographic areas. In this paper, we apply the regional relative risk metric to outdoor disease transmission events over spatial scales ranging from 50 m to 20 km, demonstrating that in many common cases minimal input information is required to use the metric. Also, we demonstrate that the model predictions are consistent with data from prior outbreaks. Future efforts could apply and validate this theory for other spatial scales, such as transmission within indoor environments. This work provides context for (i) the initial stages of an airborne disease outbreak and (ii) larger-scale disease spread, including unexpected low-probability disease “sparks” that potentially affect remote populations, a key practical issue in controlling airborne disease outbreaks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Closures and Simulation for Thermal Radiation Transport in Stochastic Media with Nonlinear Temperature Dependence

Because of the practical challenge of rendering very complex realistic spatial structures for numerical work, it is common practice to resort to characterizing such media as stochastic mixtures of materials, ideally parametrized with low order statistics such as the mean, variance, and correlation functions of the now random material properties. This enables realizations of the medium to be repeatedly generated and radiation transport computations to, in principle, be performed for a large ensemble of these realizations to obtain a statistically well-characterized radiation field. Statistical post-processing yields desired quantities such as conditional and unconditional mean radiation flux and probability distributions of transmitted radiation. However, such computations prove expensive for all but the simplest stochastic geometries and are most suited for benchmarking approximate models. The most common approximations lead to homogenized media so that transport computations are required only on a single medium realization but by construct provide only limited statistical information on the radiation field. Almost all approximate approaches to this problem attempt to develop equations for low order moments of the radiation intensity (mean, second moment, correlation function) but inevitably encounter a closure problem: the equation for any statistical moment will contain terms depending on unknown higher-order moments. Thus, the challenge shifts to one of developing closure relations that relate the unknown moments to the lower order moments. Under very special conditions, an exact closure can be derived but in general closures are heuristically stated constitutive relations. Also, closure approaches depend on whether the mixing statistics are spatially and/or temporally continuous as in fluctuating turbulent fields, or discontinuous as in randomly mixed solid chunks of material. Thus, unconditional averaging is generally applied in the former case but conditional averaging is more appropriate when the mixing is discontinuous. In this work, the emphasis is on binary statistical mixtures of immiscible fluids as as such the quantities of interest are averages (flux, temperature) conditioned on the material type.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Thick Electrode Design for Facile Electron and Ion Transport: Architectures, Advanced Characterization, and Modeling

The demand for lithium ion batteries continues to expand for powering applications such as portable electronics, grid-scale energy storage, and electric vehicles. As the application requirements advance, the innovation of lithium ion batteries toward higher energy density and power output is required. Along with the investigation of new materials, an important strategy for increasing battery energy content is to design electrodes with high areal loading to minimize the fraction of nonactive materials such as current collectors, separators, and packaging components, resulting in significant gains in energy content and the reduction of the system-level cost. However, the adoption of thick high areal loading electrodes has been impeded by sluggish charge transport and mechanical instability. With conventional slurry cast electrodes, battery function significantly deteriorates with increases in electrode thickness due to high cell polarization and the incomplete utilization of active materials. Thus, a consideration of approaches that facilitate an understanding and eventual adoption of high-loading electrodes is warranted to enable the deliberate advancement of next-generation batteries. Herein, this Account considers three aspects critical to the science and technology of thick high-loading electrodes. The first discussion covers recent approaches to the design and fabrication of high-loading electrodes. Ensuring electrical contact throughout the electrode is accomplished through the manipulation of conductive additives or using a conductive scaffold within the electrode. Ion transport can be facilitated through electrode design and fabrication approaches that deliberately control the electrode porosity and tortuosity. Second, advanced characterization methodologies are presented as the ability to determine the origins of transport limitations provide the insight needed to deliberately approach future designs. Spectroscopic and diffraction methods have been used to characterize the 2D and 3D pore structure and composition of the electrodes. Furthermore, operando methods that yield spatially and temporally resolved information regarding the progression of the electrochemical reaction are highlighted. The third aspect considered is the utilization of modeling. Physically based continuum models linked with the results of experimental characterization have been demonstrated and then allow the rapid simulation of a variety of deliberate electrode designs and their impacts on functional electrochemistry. Variables relevant to the designs can be tested by the model under a series of use conditions to identify those of most promise for a specific application. Finally, an outlook on future opportunities for high-loading battery electrode research is provided to inform and entice practitioners in the field to pursue these important directions of inquiry.

25 ENERGY STORAGE↗
DOE OSTI2024

Structural Properties of [N1888][TFSI] Ionic Liquid: A Small Angle Neutron Scattering and Polarizable Molecular Dynamics Study

In this study, we investigate the quaternary ammonium-based ionic liquid (QAIL), methyltrioctylammonium bis(trifluoromethylsulfonyl)imide, [N 1888 ][TFSI], utilizing small angle neutron scattering (SANS) measurements and polarizable molecular dynamics (MD) simulations to characterize the shortand long-range liquid structure. Scattering structure factors show signatures of three length scales in reciprocal space indicative of alternating polarity (k ~ 0.44 Å –1 ), charge (k ~ 0.75 Å –1 ), and neighboring or adjacent (k ~ 1.46 Å –1 ) domains. Excellent agreement between simulation and experimental scattering structure factors validates various simulation analyses that provide detailed atomistic characterization of the different length scale correlations. The first solvation shell structure is illustrated by obtaining radial, angular, dihedral, and combined distribution functions, where two dominant spatial motifs, N + ···N – and N + ···O – , compete for optimal packing around the polar head of the [N 1888 ] + cation. Intermediate and long-range structures are governed by the balance between local electroneutrality and octyl chain networking, respectively. By computing the charge-correlation structure factor, S ZZ , and the spatial extent of the octyl chain network using graph theory, the bulk-phase structure of [N 1888 ][TFSI] is characterized in terms of electrostatic screening and apolar domain formation length scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

LLNL FY22 Aging and Lifetimes Exit Criteria (Milestone 8118, GC#5)

This report introduces a novel characterization tool that can rapidly collect in-situ time-dependent oxide thickness and hydride growth data together with spatial data using while-light interferometry. White-light interferometry is a non-destructive and non-contact optical surface profiling technique for materials characterization that offers excellent lateral and vertical resolution. A depleted uranium sample was used to assess the ability of white-light interferometry to provide quantitative corrosion reaction rates at metal surfaces for by hydriding and oxidation and compare this technique to existing characterization tools for capturing early-stage hydride and oxide growth kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Development of an Electrochemical Impedance Instrument for Monitoring Corrosion Formation (Oxide and Hydride) on Cladding Materials

The objective of this work package is to develop electrochemical impedance spectroscopic (EIS) techniques for the in pile measurement of changes in cladding materials in coupling with model simulation and material characterization. This work package will involve the initial development of electrochemical sensing technologies for measuring spatial and time resolved changes in cladding chemistry. Specific attention will be paid to monitoring changes in monitor cladding corrosion including oxide and hydride formation and deformation. The planned work during this period was focused on cladding material zirconium alloy corrosion, oxide and hydride development, and to characterize samples using EIS under controlled gas atmosphere, atom probe tomography (APT), Raman Spectroscopy, and Synchrotron X-ray diffraction (XRD). The corrosion, including oxide and hydride of zirconium alloy samples, was tested in this study. The samples were treated at a gas environment containing 3% H2 (vol%) balanced with N2 gas at various temperatures (100 – 500°C) and different times (up to 60 hours) and were characterized by in situ EIS. After treatment, various characterization techniques were applied to measure the samples, including TGA, Ramen, XRD, and APT. This study found that impedance spectra can be affected significantly with (furnace/environment) temperature. Higher temperature resulted in higher overall impedance, and longer exposure time exerted similar effects. Proof of concept characterization of oxidized samples, including TGA, Raman, XRD, and APT, were accomplished on samples exposed to 700 oC gas environment containing 20% O2 and 80% N2. TGA provides observable breakaway and bulk oxide growth measurements. High-temperature, in-situ Raman provides observation of oxidation stress at the surface of the oxide. Additionally, a transition from tetragonal to monoclinic zirconia can be seen early in the oxidation experiment. Specifically, tetragonal-rich zirconia is seen at the metal/oxide interface, where a transition to monoclinic-rich zirconia is seen in the bulk of the oxide. It has also been confirmed that highly compressive residual stresses are seen near the metal/oxide interface. It is concluded that the transition from tetragonal to monoclinic zirconia is induced by massive shifts in stress as the oxide grows. APT has supplied evident differences in the distribution of zirconium and oxygen at the metal/oxide interface. On the pre-breakaway sample, the metastable Zr(O) region at the boundary is relatively thin, interfaced by Zr-rich (i.e., metal) and O-rich (i.e., ZrO2) on either side. In contrast, it has been seen on a post-breakaway sample that the Zr(O) metastable region is much greater in thickness, with evidence of four “zones” showing slightly contrasting composition between 49-54% Zr. In addition, it can be seen from the Zr-2.65Nb post-breakaway sample that secondary element concentrations are considerably different than bulk composition measurements show. Specifically, Nb concentration is much lower than expected, whereas Fe concentration is much higher than expected. These differences could play a role in each element’s contribution to oxide growth mechanisms, as well as causation for breakaway. Future work is focused on analyzing EIS spectra of hydride and its correlation with characterization features, finite element (FE) modeling of cladding materials, electrochemical sensor development, targeting cladding oxides/hydrides under thermodynamic equilibria, during transients and under irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Linking international technical specifications for acoustic characterization of marine energy converter sounds with environmental compliance criteria

As new ocean energy technologies emerge and are deployed for testing and operations, sound emissions are a potential concern for environmental effects to marine life. Consistent acoustic measurement and data analysis methods can help promote comparisons of technologies and transferability between project sites. In 2022, acoustic emissions from a prototype scale wave energy converter (WEC) were characterized for a range of environmental conditions and power generation states in the coastal waters off southern California using a set of international technical specifications. Results from the international technical specification analyses were applied to United States regulatory threshold criteria for acoustic impacts to marine mammals and examined in the context of European underwater noise monitoring guidelines. Weighted 24 hour cumulative sound exposure levels SEL24h calculated from the highest power generation state WEC sound pressure levels were often more than 20 dB below threshold criteria for temporary threshold shifts in five relevant marine mammal hearing groups. Following European Union recommendations for analyses and reporting, WEC sound characterization in third octave bands centered at 63 Hz and 125 Hz show clear spatial decay of WEC-generated noise, with more pronounced attenuation at 63 Hz, and a less marked but still detectable gradient at 125 Hz, collectively suggesting a relatively confined acoustic footprint under the observed conditions. The value of the international technical specification approach is highlighted by the isolation of WEC sounds from the surrounding soundscape. This allows for a robust characterization of acoustic emissions through a range of device power generation and sea states. Furthermore, in threshold-based regulatory contexts like the U.S., this facilitates direct evaluation of source contributions, while in broader monitoring frameworks used in the E.U. it provides a reproducible foundation for assessing the contribution of emerging ocean energy technologies to the underwater acoustic environment.

Haxel, Joseph H. (ORCID:0000000273864761)↗
DOE OSTI2019

The Influence of MS Imaging Parameters on UV-MALDI Desorption and Ion Yield

Ultraviolet matrix-assisted laser desorption/ionization mass spectrometry imaging (UV-MALDI MSI) is a widely used technique for imaging molecular distributions within biological systems. While much work exists concerning desorption in UV-MALDI MS, the effects of commonly varied parameters for imaging applications (repetition rate, use of continuous raster mode and raster speed), which determine spatial resolution and limits of detection for the technique, remain largely unknown. We use multiple surface characterization modalities to obtain quantitative measurements of material desorption and analyte ion yield in thin film model systems of two matrix compounds, arising from different UV-MALDI MSI sampling conditions. Observed changes in resulting ablation feature point to matrix-dependent spatial resolution and laser-induced matrix modification effects. Analyte ion yields of 10{sup −9} to 10{sup −6} are observed. Complex changes in ion yield, between spot and raster sampling and arising from varied laser repetition rate and raster speed, are observed. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis

Mineral dissolution significantly impacts many geological systems. Carbon released by diagenesis, carbon sequestration, and acid injection are examples where geochemical reactions, fluid flow, and solute transport are strongly coupled. The complexity in these systems involves interplay between various mechanisms that operate at timescales ranging from microseconds to years. Current experimental techniques characterize dissolution processes using static images that are acquired with long measurement times and/or low spatial resolution. These limitations prevent direct observation of how dissolution reactions progress within an intact rock with spatially heterogeneous mineralogy and morphology. We utilize microfluidic cells embedded with thin rock samples to visualize dissolution with significant temporal resolution (100 ms) in a large observation window (3 × 3 mm). Here we injected acidic fluid into eight shale samples ranging from 8 to 86 wt % carbonate. The pre- and postreaction microstructures are characterized at the scale of pores (0.1 to 1 µm) and fractures (1 to 1,000 µm). We observe that nonreactive particle exposure, fracture morphology, and loss of rock strength are strongly dependent on both the relative volume of reactive grains and their distribution. Time-resolved images of the rock unveil the spatiotemporal dynamics of dissolution, including two-phase flow effects in real time and illustrate the changes in the fracture interface across the range of compositions. Moreover, the dynamical data provide an approach for characterizing reactivity parameters of natural heterogeneous samples when porous media effects are not negligible. The platform and workflow provide real-time characterization of geochemical reactions and inform various subsurface engineering processes.

58 GEOSCIENCES↗
DOE OSTI2020

Characterization of organic aerosol across the global remote troposphere: a comparison of ATom measurements and global chemistry models

The spatial distribution and properties of submicron organic aerosol (OA) are among the key sources of uncertainty in our understanding of aerosol effects on climate. Uncertainties are particularly large over remote regions of the free troposphere and Southern Ocean, where very few data have been available and where OA predictions from AeroCom Phase II global models span 2 to 3 orders of magnitude, greatly exceeding the model spread over source regions. The (nearly) pole-to-pole vertical distribution of non-refractory aerosols was measured with an aerosol mass spectrometer onboard the NASA DC-8 aircraft as part of the Atmospheric Tomography (ATom) mission during the Northern Hemisphere summer (August 2016) and winter (February 2017). This study presents the first extensive characterization of OA mass concentrations and their level of oxidation in the remote atmosphere. OA and sulfate are the major contributors by mass to submicron aerosols in the remote troposphere, together with sea salt in the marine boundary layer. Sulfate was dominant in the lower stratosphere. OA concentrations have a strong seasonal and zonal variability, with the highest levels measured in the lower troposphere in the summer and over the regions influenced by biomass burning from Africa (up to 10 µg sm -3 ). Lower concentrations (~0.1–0.3 µg sm -3 ) are observed in the northern middle and high latitudes and very low concentrations (<0.1 µg sm -3 ) in the southern middle and high latitudes. The ATom dataset is used to evaluate predictions of eight current global chemistry models that implement a variety of commonly used representations of OA sources and chemistry, as well as of the AeroCom-II ensemble. The current model ensemble captures the average vertical and spatial distribution of measured OA concentrations, and the spread of the individual models remains within a factor of 5. These results are significantly improved over the AeroCom-II model ensemble, which shows large overestimations over these regions. However, some of the improved agreement with observations occurs for the wrong reasons, as models have the tendency to greatly overestimate the primary OA fraction and underestimate the secondary fraction. Measured OA in the remote free troposphere is highly oxygenated, with organic aerosol to organic carbon (OA/OC) ratios of ~2.2–2.8, and is 30 %–60 % more oxygenated than in current models, which can lead to significant errors in OA concentrations. The model–measurement comparisons presented here support the concept of a more dynamic OA system as proposed by Hodzic et al. (2016), with enhanced removal of primary OA and a stronger production of secondary OA in global models needed to provide better agreement with observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Effect of stored strain energy heterogeneity on microstructure evolution of 90% cold rolled AISI 304L stainless steel during interrupted annealing treatment

Highlights: • Study of usefulness of stored strain energy distribution map of the material for variable temperature range. • Advantage of using stored strain energy distribution map • Variation observed in stored energy between isothermal annealing treatment and interrupted annealing treatment. - Abstract: This research work is an attempt to understand the effect of stored strain energy heterogeneity over macro-scale, induced during interrupted annealing treatment, on the micro structural evolution in a heavily cold rolled AISI 304L austenitic stainless steel. The cold rolled AISI 304L stainless steel (SS) samples were subjected to different annealing treatments. The microstructures obtained after each annealing treatment were characterized using optical and electron microscopy techniques. Further, an attempt was made to estimate the stored strain energy by a novel approach of micro hardness measurement both over small scale (area 3600 μm{sup 2}) and large scale (area ~0.25 mm{sup 2}). The stored strain energy was determined using hardness values. Using these data, spatial stored strain energy distribution contour maps were created. They were, in turn, used to characterize the local softening behavior both at micro and macro-scale levels after each interrupted annealing treatment. The results showed that, interrupted annealing treatment induces increased stored strain energy heterogeneity after each annealing interruptions. Also, it was possible to determine recrystallization kinetics of the material using stored strain energy map, which helps in designing annealing cycles for achieving ultrafine grained microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Computational Fluid Dynamics Simulations to Assess Spatial Variability and Optimal Ventilation Scenarios for Biological Laboratory Exposures

A significant amount of uncertainty exists regarding potential human exposure to laboratory biomaterials and organisms in Biosafety Level 2 (BSL-2) research laboratories. Computational fluid dynamics (CFD) modeling is proposed as a way to better understand potential impacts of different combinations of biomaterials, laboratory manipulations, and exposure routes on risks to laboratory workers. Here, in this study, we use CFD models to simulate airborne concentrations of contaminants in an actual BSL-2 laboratory under different configurations. Results show that ventilation configuration, sampling location, and contaminant source location can significantly impact airborne concentrations and exposures. Depending on the source location and airflow patterns, the transient and time-integrated concentrations varied by several orders of magnitude. Contaminant plumes from sources located near a return vent (or exhaust like a fume hood or ventilated biosafety cabinet) are likely to be more contained than sources that are further from the exhaust. Having a direct flow between the source and the exhaust (through-flow condition) may reduce potential exposures to individuals outside the air flow path. Designing a BSL-2 room with ventilation and airflow patterns that maximize through-flow conditions to the return/exhaust vents and minimize dispersion and mixing throughout the room is, therefore, recommended. CFD simulations can also be used to assist in characterizing the impacts of supply and return vent locations, room layout, and source locations on spatial and temporal contaminant concentrations. In addition, proper placement of particle sensors can also be informed by CFD simulations to provide additional characterization and monitoring of potential exposures in BSL-2 facilities.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗