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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Inferring microbial interactions with their environment from genomic and metagenomic data

Microbial communities assemble through a complex set of interactions between microbes and their environment, and the resulting metabolic impact on the host ecosystem can be profound. Microbial activity is known to impact human health, plant growth, water quality, and soil carbon storage which has lead to the development of many approaches and products meant to manipulate the microbiome. In order to understand, predict, and improve microbial community engineering, genome-scale modeling techniques have been developed to translate genomic data into inferred microbial dynamics. However, these techniques rely heavily on simulation to draw conclusions which may vary with unknown parameters or initial conditions, rather than more robust qualitative analysis. To better understand microbial community dynamics using genome-scale modeling, we provide a tool to investigate the network of interactions between microbes and environmental metabolites over time. Using our previously developed algorithm for simulating microbial communities from genome-scale metabolic models (GSMs), we infer the set of microbe-metabolite interactions within a microbial community in a particular environment. Because these interactions depend on the available environmental metabolites, we refer to the networks that we infer as metabolically contextualized , and so name our tool MetConSIN: Met abolically Con textualized S pecies I nteraction N etworks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Permanent Magnet Resiliency in Jefferson Lab’s Radiation Environment: LDRD Grant Status and Plans

As the FFA@CEBAF energy upgrade study progresses, it is important to investigate the impact of radiation exposure on the permanent magnet materials to be used in the upgraded fixed field alternating gradient (FFA) arcs. To address this, Jefferson Lab has awarded a Laboratory Directed Research and Development (LDRD) grant to study the resiliency of several permanent magnet materials placed in a radiation environment similar to that in which they are expected to operate. Samples of NeFeB and SmCo are to be placed alongside appropriate dosimetry in a variety of radiation environments in the beam enclosure and experimental halls at CEBAF. The magnet degradation will be measured, and extrapolated to the higher energies expected during operations after the energy upgrade. This document will describe the current status of the LDRD study, as well as describe the upcoming plans. It will also direct the readers to other proceedings which further detail the work thus far.

Bodenstein, R.↗
DOE OSTI2023

X-ray absorption spectroscopy study of Mn reference compounds for Mn speciation in terrestrial surface environments

Abstract X-ray absorption spectroscopy (XAS) offers great potential to identify and quantify Mn species in surface environments by means of linear combination fit (LCF), fingerprint, and shell-fit analyses of bulk Mn XAS spectra. However, these approaches are complicated by the lack of a comprehensive and accessible spectrum library. Additionally, molecular-level information on Mn coordination in some potentially important Mn species occurring in soils and sediments is missing. Therefore, we investigated a suite of 32 natural and synthetic Mn reference compounds, including Mn oxide, oxyhydroxide, carbonate, phosphate, and silicate minerals, as well as organic and adsorbed Mn species, by Mn K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy. The ability of XAS to infer the average oxidation state (AOS) of Mn was assessed by comparing XANES-derived AOS with the AOS obtained from redox titrations. All reference compounds were studied for their local (<5 Å) Mn coordination environment using EXAFS shell-fit analysis. Statistical analyses were employed to clarify how well and to what extent individual Mn species (groups) can be distinguished by XAS based on spectral uniqueness. Our results show that LCF analysis of normalized XANES spectra can reliably quantify the Mn AOS within ~0.1 v.u. in the range +2 to +4. These spectra are diagnostic for most Mn species investigated, but unsuitable to identify and quantify members of the manganate and Mn(III)-oxyhydroxide groups. First-derivative XANES fingerprinting allows the unique identification of pyrolusite, ramsdellite, and potentially lithiophorite within the manganate group. However, XANES spectra of individual Mn compounds can vary significantly depending on chemical composition and/or crystallinity, which limits the accuracy of XANES-based speciation analyses. In contrast, EXAFS spectra provide a much better discriminatory power to identify and quantify Mn species. Principal component and cluster analyses of k2-weighted EXAFS spectra of Mn reference compounds implied that EXAFS LCF analysis of environmental samples can identify and quantify at least the following primary Mn species groups: (1) Phyllo- and tectomanganates with large tunnel sizes (2 × 2 and larger; hollandite sensu stricto, romanèchite, todorokite); (2) tectomanganates with small tunnel sizes (2 × 2 and smaller; cryptomelane, pyrolusite, ramsdellite); (3) Mn(III)-dominated species (nesosilicates, oxyhydroxides, organic compounds, spinels); (4) Mn(II) species (carbonate, phosphate, and phyllosilicate minerals, adsorbed and organic species); and (5) manganosite. All Mn compounds, except for members of the manganate group (excluding pyrolusite) and adsorbed Mn(II) species, exhibit unique EXAFS spectra that would allow their identification and quantification in mixtures. Therefore, our results highlight the potential of Mn K-edge EXAFS spectroscopy to assess bulk Mn speciation in soils and sediments. A complete XAS-based speciation analysis of bulk Mn in environmental samples should preferably include the determination of Mn valences following the “Combo” method of Manceau et al. (2012), EXAFS LCF analyses based on principal component and target transformation results, as well as EXAFS shell-fit analyses for the validation of LCF results. For this purpose, all 32 XAS reference spectra are provided in the Online Materials1 for further use by the scientific community.

Geochemistry & Geophysics↗
DOE OSTI2020

Tribological Behavior of Structural Materials in High Temperature Helium Gas-Cooled Reactor Environments

The High-Temperature Gas-cooled Reactor (HTGR) is a Generation IV concept designed to produce electricity and hydrogen at high efficiencies via high operating temperatures (700 °C or higher). Helium, the primary coolant for HTGRs, contains impurities (e.g., CO, H2O and CH4) that can induce corrosion reactions at high temperatures such as oxidation and (de)carburization, which in turn can affect the tribological behavior of components. Incoloy® 800HT (Ni-Fe-Cr austenitic solid-solution alloy) and Inconel® 617 (Ni-Cr-Co-Mo solid-solution alloy) are two high-temperature superalloys currently selected as candidate structural materials for the HTGR. The objective of this study is to evaluate the high-temperature tribological performance of these two candidate alloys after conditioning them in HTGR environments. Four regimes of corrosion were considered: a non-conditioned regime (Regime I), an oxidizing regime (Regime II), a carburizing and oxidizing regime (Regime III), and a carburizing regime (Regime IV). To simulate oxidation in HTGR, samples were conditioned for 22 days at elevated temperatures in a once-through helium loop with 4 ppmv H2O. Carburization of the samples was achieved by the commercial process, Kolsterising®. In addition, two surface treatments – shot peening and aluminization – were considered as potential routes of improving the alloys’ wear resistance. Surface-treated samples were tested both before and after conditioning in Regime II. Tribological testing of the samples was performed via a pin-on-disk tribometer at elevated temperatures in ambient environment – 650 and 750°C for 800HT; 850 and 900°C for 617 – with applied loads of 1N, 2N and 5N. The wear behavior of the alloys was assessed via wear volume and friction coefficient measurements, supported by morphological, structural and compositional analyses of the wear tracks. Conditioning the samples in Regime II led to the formation of a chromium oxide on both alloys. This protective scale increased the wear resistance compared to that of as-received samples (Regime I) due to the formation of a compacted ‘glaze’ oxide layer during sliding, rendering the wear track nearly undistinguishable from the unworn background and resulting in wear volumes below the detection limits of the measurement technique. The variability of the friction coefficients of the conditioned samples was also considerably reduced compared to that of the as-received samples due to the glaze layer. Additionally, the initial friction coefficients of the samples conditioned in Regime II were reduced by 45% and 54% compared to those of as-received samples for alloys 800HT and 617, respectively. Carburizing the samples (Regime IV) hardened the surfaces of both alloys and promoted the formation of an iron oxide on 800HT during tribological testing, thereby increasing the wear resistance and decreasing the initial friction coefficient by a factor of two compared to those of as-received 800HT. Alloy 617 exhibited an enhanced wear resistance but similar initial friction coefficient compared to those of as-received samples due to the increased surface hardness. The Mn-Cr oxide developed during Regime III conditioning of 800HT did not develop a glaze layer during tribotesting, even at lower loads. Thus, it was not as protective as the oxide produced during conditioning of Regime II samples, leading to lower wear resistance of 800HT in Regime III compared to that measured in the Regime II condition. 800HT benefited from the aluminization surface treatment, particularly before conditioning in Regime II, due to the promotion of a wear-resistant aluminum oxide layer during testing and the increase in surface hardness due to the presence of a FeAl intermetallic phase. The presence of this phase caused an order-of-magnitude reduction in wear volumes compared to those of as-received 800HT. Aluminization of 617 decreased its wear resistance, particularly after conditioning in Regime II, due to significant wear of the aluminum oxide via a ceramic wear mechanism. This aluminum oxide was removed during sliding, causing the wear volumes to increase by a factor of five compared to those of 617 conditioned in Regime II. Shot-peened 800HT exhibited a tribological behavior similar to that of as-received 800HT, despite an enhancement in the rate of chromium oxide formation. Shot-peened 800HT conditioned in Regime II showed lower wear resistance compared to that of 800HT conditioned in Regime II due to the poor adhesion between the oxide and the underlying metal, preventing the formation of the glaze layer during sliding. Shot peening of 617 increased its wear resistance at higher load, reducing worn volumes by 60% compared to that measured with as-received 617. Tribotesting of shot-peened 617 in Regime II revealed that the glaze-oxide layer was formed at every load, resulting in negligible wear, similar to what was observed from testing 617 after conditioning in Regime II. Overall, alloy 617 exhibited tribologically superior behavior compared to that of alloy 800HT, as demonstrated by its lower friction coefficients and its order-of-magnitude lower wear volumes when measurable.

36 MATERIALS SCIENCE↗
DOE OSTI2020

TRUST-EABM Sensors in Environments (SE) Report: Release FY20

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests (TRUST) project is to support the efficient and responsive development of experimental, modeling, and simulation capabilities for future systems by developing representative testbeds that can be exercised more easily and efficiently than a WR like assembly for the purposes uncertainty quantification [1][2][3]. The testbeds are intended to be experimentally exercised in current and future relevant engineering environments with complementary modeling and simulation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Ventilation in Residential Care Environments

The purpose of this study was to evaluate the effect of ventilation rate, directional airflow (e.g. pressure relationships) and airflow barriers on bioaerosol concentration and movement within assisted-living and residential care environments. Included within this report is a comprehensive literature review, field data collection test plan and, an evaluation of commercially available mitigation technologies related to the transmission of COVID-19 in LTC environments. Additionally, this report includes aerosol testing in an actual LTC facility using the test plan developed herein. Nearly 1.5 million people live in 16,000 nursing homes in the U.S. As of December 20, 2020 the Centers for Medicare and Medicaid Services (CMS) identified a total of 662,549 confirmed and suspected COVID-19 cases in these and other long-term care (LTC) facilities resulting in 92,373 deaths. At this time, COVID-19 cases in LTC facilities accounted for only 3% of the U.S. total of 21M confirmed cases yet nearly a third of the 350,000 total U.S. deaths. Preliminary studies have found little correlation between the quality of care and transmission of COVID-19 in these facilities, suggesting that even the best infection control practices may not be effective in containing the spread of this potentially airborne disease. As a result, many LTC facilities have implemented quarantine procedures and other measures to isolate infectious residents from the general population. Unfortunately, most LTC facilities were not designed for airborne infection control and guidance for retrofitting existing LTC spaces for airborne isolation is limited.

42 ENGINEERING↗
DOE OSTI2021

Ventilation in Residential Care Environments

The purpose of this study was to evaluate the effect of ventilation rate, directional airflow (e.g. pressure relationships) and airflow barriers on bioaerosol concentration and movement within assisted-living and residential care environments. Included within this report is a comprehensive literature review, field data collection test plan and, an evaluation of commercially available mitigation technologies related to the transmission of COVID-19 in LTC environments. Additionally, this report includes aerosol testing in an actual LTC facility using the test plan developed herein. Nearly 1.5 million people live in 16,000 nursing homes in the U.S. As of December 20, 2020 the Centers for Medicare and Medicaid Services (CMS) identified a total of 662,549 confirmed and suspected COVID-19 cases in these and other long-term care (LTC) facilities resulting in 92,373 deaths. At this time, COVID-19 cases in LTC facilities accounted for only 3% of the U.S. total of 21M confirmed cases yet nearly a third of the 350,000 total U.S. deaths. Preliminary studies have found little correlation between the quality of care and transmission of COVID-19 in these facilities, suggesting that even the best infection control practices may not be effective in containing the spread of this potentially airborne disease. As a result, many LTC facilities have implemented quarantine procedures and other measures to isolate infectious residents from the general population. Unfortunately, most LTC facilities were not designed for airborne infection control and guidance for retrofitting existing LTC spaces for airborne isolation is limited.

42 ENGINEERING↗
DOE OSTI2021

Policy and Regulatory Environment for Utility-Scale Energy Storage: Bangladesh

Bangladesh has experienced significant economic growth and poverty reduction over the past several decades. Recognizing the central role electricity plays in economic development, the Government of Bangladesh (GOB) has established policies to accelerate the growth of the electric power sector. The Bangladesh power grid is transforming into one marked by declining reliance on domestic natural gas reserves and oil-based rental power plants, increasing renewable energy contribution, and shifting demand patterns. The GOB is now reconsidering its prior plans to increase the share of coal capacity in the generation mix to meet demand, shifting its focus instead to electricity imports from neighboring countries, nuclear generation, liquified natural gas imports, and domestic renewable resources such as wind and solar. However, investments in the transmission and distribution system, as well as ancillary services, have not kept pace with investments in generation resources over the past decade. Thus, Bangladesh electricity consumers still experience outages and poor power quality despite adequate installed capacity. On the demand side, population growth and industrialization have fueled steady growth in electricity consumption as efforts to expand access to electricity enabled near-universal electricity access by mid-2020. The combined changes in the mix of generation resources and patterns of electricity demand present new challenges and opportunities in operating and maintaining a reliable power system. Energy storage has the potential to help meet these challenges and accelerate Bangladesh’s energy transition. Declining costs for some energy storage technologies make them increasingly cost-effective solutions to provide a wide range of grid services. Previous analyses of energy storage in the region have identified several potential applications for storage at the bulk system level, including energy arbitrage, ancillary services, and transmission network support. The potential for storage to meet these needs depends on many factors, including physical characteristics of the power system and the policy and regulatory environments in which these energy storage assets would operate. This report applies an Energy Storage Readiness Assessment the National Renewable Energy Laboratory developed for policy makers and regulators to identify priority areas of focus as they continue to develop the appropriate suite of policies, programs, and regulations to enable storage deployment. This assessment uses a simple evaluation scheme to identify the barriers and opportunities for utility-scale energy storage within Bangladesh’s policy and regulatory environment.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

SNF Interim Storage Canister Corrosion and Surface Environment Investigations (FY21 Status Report)

This progress report describes work performed during FY21 at Sandia National Laboratories (SNL) to assess the localized corrosion performance of canister materials used in the interim storage of spent nuclear fuel (SNF). Of particular concern is stress corrosion cracking (SCC), by which a through-wall crack could potentially form in a canister outer wall over time intervals that are shorter than possible dry storage times. In FY21, modeling and experimental work was performed that further defined our understanding of the potential chemical and physical environment present on canister surfaces at both marine and inland sites. Research also evaluated the relationship between the environment and the rate, extent, and morphology of corrosion, as well as the corrosion processes that occur. Finally, crack growth rate testing under relevant environmental conditions was initiated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Roundtable Report: Terahertz and 6G Wireless Communications in Science and Extreme Environments

The main objective of the roundtable is to bring together computer scientists and wireless communications experts from industry, academia, and government to explore the electromagnetic spectrum in the Terahertz (THz) bands for ultra-high-speed short-distance wireless communications in extreme environments. This new generation of THz wireless communications is the key to future machine-to-machine communications critical for the mass deployment of an intelligent Internet of Things (IoT). The roundtable discussion explores THz and 6G wireless technologies along with Visible Light Communications (VLC), intelligent reflection surfaces, free-space quantum and optical communications, and nano communications. The roundtable considers the suitability of these technologies for extreme environments from the nanoscale to the mesoscale for the following: scientific facilities and associated instruments, as well as industry, and manufacturing. Such use cases are not traditionally the primary customer of commercial wireless networks which are focused on personal broadband voice and data communications. Finally, the discussion identifies high-level opportunities and challenges for leveraging THz and 6G wireless communications and related Artificial Intelligence (AI) that can catalyze the advancement of the development of hyperconnected smart scientific instruments and facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Physically rigorous reduced-order flow models of fractured subsurface environments without explosive computational cost

Fractured media models comprise discontinuities of multiple lengths (e.g. fracture lengths and apertures, wellbore area) that fall into the relatively insignificant length scales spanning millimeter-scale fractures to centimeter-scale wellbores in comparison to the extensions of the field of interest, and challenge the conventional discretization methods imposing highly-fine meshing and formidably large numerical cost. By utilizing the recent developments in the finite element analysis of electromagnetics that allow to represent material properties on a hierarchical geometry, this project develops computational capabilities to model fluid flow, heat conduction, transport and induced polarization in large-scale geologic environments that possess geometrically-complex fractures and man-made infrastructures without explosive computational cost. The computational efficiency and robustness of this multi-physics modeling tool are demonstrated by considering various highly-realistic complex geologic environments that are common in many energy and national security related engineering problems.

42 ENGINEERING↗
DOE OSTI2022

Radiation Characterization Summary: NETL Beam Port 1/5 Free-Field Environment at the 128-inch Core Centerline Adjacent (NETL-FF-BP1/5-128-cca)

This document presents the facility-recommended characterization of the neutron, prompt gamma ray, and delayed gamma ray radiation fields in the University of Texas at Austin Nuclear Engineering Teaching Laboratory (NETL) TRIGA reactor for the beam port 1/5 free-field environment at the 128-inch location adjacent to the core centerline. The designation for this environment is NETL-FF-BP1/5-128-cca. The neutron, prompt gamma ray, and delayed gamma ray energy spectra, uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma ray fluence profiles within the experiment area of the cavity. Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

In-situ optical monitoring of gas turbine blade coatings under operational extreme environments

High temperature material systems consisting of thermal barrier coatings and the underlying superalloys are key to achieving higher gas temperatures which in turn control engine efficiencies and reduce emissions. With engine temperatures in excess of the limits that metallic blades and vanes can endure, advanced monitoring techniques that ensure the integrity and durability of these coatings are paramount to continuous and safe operation. Optical methods have the benefit of being non-invasive and are able to capture data under limited access available for monitoring the hot-section of turbines. Addressing Topic 5 on Advanced Instrumentation, the research and development effort for this project titled “In situ optical monitoring of gas turbine blade coatings under operational extreme environments” was completed by University of Central Florida researchers, including Raghavan (PI) and Ghosh (co-PI). In this project, the research team leveraged intrinsic properties of coatings and rare-earth dopants as active and intelligent “sensors” through their optical properties. The outcomes of this project pave the way for diagnostics of turbine blade coatings, under operating environments, through the development of the sensing thermal barrier coating configurations, calibration and associated instrumentation while ensuring coating integrity and durability goals are concurrently met.

42 ENGINEERING↗
DOE OSTI2023

Photogrammetry: Develop methods for detecting deviations from expected geometry of components in a glovebox environment (Lawrence Livermore National Laboratory Aging and Lifetimes Program FY23, Milestone 8651, Grading Criterion #4)

Measurements in glovebox environments are challenging to conduct. Currently deployed techniques are time consuming and provide limited information. These limitations make current disposition and future assessments of products challenging. In FY23 we developed methods for detecting deviations of components in a glovebox environment that address these shortcomings by rapidly collecting information-dense measurements. Conducted tests demonstrate that camera pose (position and orientation) can be derived for images utilized in the photogrammetry process. This information, in conjunction with common image processing techniques, enables automated detection and size estimation of surface features. First, image processing is used to identify marks, or localized regions, that standout from the surrounding area. Then, the physical size of the region can be estimated because scale can be determined for photogrammetry images. Development of this methods shows that photogrammetry can identify measurable deviations from expected geometries. Although measurement error when using this technique through a glovebox window still needs to be reduced, this capability shows promise for eliminating or reducing the use of tedious manual measurements.

42 ENGINEERING↗
DOE OSTI2023

2022 Annual Site Environment Report, Princeton Plasma Physics Laboratory

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2022 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2022. PPPL’s on-site operations started to be restored in 2022, following curtailments in 2020 and 2021 for the global coronavirus (COVID-19) pandemic. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2022. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2022, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2022, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

TRUST Sensors in Environments: Fiber Optic Displacement (SEFOD) Report

The sensors in environments for fiber optic displacement gages (SEFOD) testbed is a collaboration between W-13, and E-14. Testbeds in this project are focused on characterization and propagation of the uncertainty in experimental techniques used by E-14 in WR-like environments. Discussions with SMEs identified instrumentation as the best candidates for single feature testbeds addressing experimental uncertainty sources. Previous work and student projects have addressed instrumentation uncertainty quantification of thermocouples, load cells, and accelerometers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

FY23 Status Report: SNF Interim Storage Canister Corrosion and Surface Environment Investigations

Work evaluating spent nuclear fuel (SNF) dry storage canister surface environments and canister corrosion progressed significantly in FY23, with the goal of developing a scientific understanding of the processes controlling initiation and growth of stress corrosion cracking (SCC) cracks in stainless steel canisters in relevant storage environments. The results of the work performed at Sandia National Laboratories (SNL) will guide future work and will contribute to the development of better tools for predicting potential canister penetration by SCC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗