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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MoW(SeS)2 by Materials Project

WSe2MoSe2WS2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction; one MoSe2 sheet oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and one WSe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo6+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.53 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoW(SeS)2 by Materials Project

WSe2MoSe2WS2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction; one MoSe2 sheet oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and one WSe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo6+ is bonded to six S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. There are three shorter (2.43 Å) and three longer (2.44 Å) Mo–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Mo6+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. There are three shorter (2.53 Å) and three longer (2.54 Å) Mo–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoW(SeS)2 by Materials Project

MoSe2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and two WS2 sheets oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. There are three shorter (2.53 Å) and three longer (2.54 Å) Mo–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoW by Materials Project

WMo is beta Np-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two WMo sheets oriented in the (0, 1, 0) direction. W is bonded in a 8-coordinate geometry to four equivalent Mo atoms. All W–Mo bond lengths are 2.75 Å. Mo is bonded in a 8-coordinate geometry to four equivalent W atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoW(SeS)2 by Materials Project

MoSe2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and two WS2 sheets oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.53 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Review of Landscaping Equipment Vibration Risk Exposure, LLNL Site 200 (Various Locations), Whole Body Vibration Seated and Standing Mowers

WBV (Whole-Body Vibration) for operators of seated and standing lawn mowers was conducted during landscape activities from April 2019 through August 2019 at various locations around LLNL Site 200. Mowing is generally performed by each landscaper for 2-3 days every other week with a maximum duration of 3-5 hours each day. On mowing days, other tasks are performed for the remainder of the day that do not expose the worker to WBV such as irrigation, blowing, or sweeping. The mowing terrain at LLNL is variable with typical reported conditions such as gopher holes, exposed tree roots, quick turns, normal and high growth, weeds, and mushy/wet ground that can result in jolts to the mower operator. The Larson Davis HVM200 seat pad with tri-axial accelerometer was used for monitoring workers. For the seated mowers, the HVM200 seat pad with tri-axial accelerometer was placed on the seat between the user and seat pan of the mower. For standing mowers, the seat pad with tri-axial accelerometer was wrapped with Dycem (for seat pad protection) and placed directly on top of the mower deck and underneath the end-user’s right foot. Monitoring for WBV was conducted while operators used different types, makes, and models of mowers. A total of sixteen samples were collected from the operators of seated mower and 6 samples were collected from operators of standing mower. This initial data sampling was part of a discovery phase to identify if WBV exposure met the 2016 ACGIH TLVs (Threshold Limit Values). This initial data identified that workers operating the mowers do not exceed either the TLV or Action Level (AL) for Weighted Acceleration Levels (A(8)) but typically exceed the Vibration Dose Value (VDV) lower boundary for the standing mowers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Final Evaluation Report for the Sandia National Laboratories Recorded Information Management Training Program

The Recorded Information Management (RIM) training and guidance materials were originally evaluated to determine the current status of the training program. Specifically, how and where are training materials implemented and are members of the workforce (MOWs) regularly accessing them. The evaluation highlighted that there is a breadth of training materials and guidance available; however, the materials are often outdated, point to old Sandia Policies, and/or are in outdated templates. Additionally, there is currently no single-entry point for training, meaning that training is available via the RIM homepage, TEDs, etc. This means that MOWs must search in various webpages or systems for training. To ensure RIM training materials are regularly updated and are accessible for MOWs it is recommended to assign one staff member to manage the program training materials.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal-element alloys. We present phase and property analysis of quinary (MoW) x Zr y (TaTi) 1-x-y refractory high-entropy alloys from combined Calculation of Phase Diagram (CALPHAD) and density-functional theory results, supplemented by molecular dynamics simulations. Both CALPHAD and density-functional theory analysis of phase stability indicates a Mo-W-rich region of this quinary has a stable single-phase body-centered-cubic structure. We report first quinary composition from Mo-W-Ta-Ti-Zr family of alloy with pseudo-elastic behavior, i.e., hysteresis in stress-strain. Our analysis shows that only Mo-W-rich compositions of Mo-W-Ta-Ti-Zr, i.e., Mo+W, show reproducible hysteresis in stress-strain responsible for pseudo-elastic behavior. The (MoW) 85 Zr 7.5 (TaTi) 7.5 was down-selected based on temperature-dependent phase diagram analysis and molecular dynamics simulations predicted elastic behavior that reveals twinning-assisted pseudoelastic behavior. While mostly unexplored in body-centered-cubic crystals, twinning is a fundamental deformation mechanism that competes against dislocation slip in crystalline solids. Furthermore, this alloy shows identical cyclic deformation characteristics during uniaxial < 100 > loading, i.e., the pseudoelasticity is isotropic in loading direction. Additionally, a temperature increase from 77 to 1,500 K enhances the elastic strain recovery in load-unload cycles, offering possibly control to tune the pseudoelastic behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impulse Noise Sampling at 9965 - Armag

One detonation test was monitored for impulse noise at Thunder Range on November 6, 2020. The TNT equivalency for this shot was 100 lbs. Ground zero for this test was located at an open area of Range 7. The Armag, where MOW were remotely located, was just south of the east end of the TR shock tube The purpose of this sampling event was to characterize the noise attenuation provided by the Armag which will be used as the primary firing location in a future test series. To determine attenuation provided by the Armag, one sound level monitor was placed inside and a second monitor was placed outside the hardened structure at the same distance from ground zero. The Armag was located 1300 feet from ground zero. Essential personnel performing these tests were remotely located inside the Armag and wore hearing protection with a minimum NRR of 23. Members of the Workforce (MOW) who are exposed to noise levels above 140 dBC, regardless of hearing protection worn, are required to be enrolled into the SNL Hearing Conservation Program which includes audiometric testing, online training (HCP100) and wearing hearing protection.

42 ENGINEERING↗
DOE OSTI2022

Impact Noise Monitoring at Site 9940: RD-24 Shots

The purpose of this sampling event was to determine if the observation point (inside the MFCP) could be relocated from 74 feet away to 21 feet from ground zero and to determine how much attenuation is provided by the MFCP. The MFCP provides noise attenuation to ensure Members of the Workforce (MOW) exposure to impact noise is below the Occupational Exposure Limit (OEL) of 140 dBC. The MFCP will be used for future tests under similar configurations. Please note that during each test shot, MOW was located inside MFCP that was 74 feet from ground zero and donned hearing protection (e.g., ear plugs with a minimum noise reduction rating of 23).

42 ENGINEERING↗
DOE OSTI2022

Matching high resolution satellite data and flux tower footprints improves their agreement in photosynthesis estimates

Mapping canopy photosynthesis in both high spatial and temporal resolution is essential for carbon cycle monitoring in heterogeneous areas. However, well established satellites in sun-synchronous orbits such as Sentinel-2, Landsat and MODIS can only provide either high spatial or high temporal resolution but not both. Recently established CubeSat satellite constellations have created an opportunity to overcome this resolution trade-off. In particular, Planet Fusion allows full utilization of the CubeSat data resolution and coverage while maintaining high radiometric quality. In this study, we used the Planet Fusion surface reflectance product to calculate daily, 3-m resolution, gap-free maps of the near-infrared radiation reflected from vegetation (NIRvP). We then evaluated the performance of these NIRvP maps for estimating canopy photosynthesis by comparing with data from a flux tower network in Sacramento-San Joaquin Delta, California, USA. Overall, NIRvP maps captured temporal variations in canopy photosynthesis of individual sites, despite changes in water extent in the wetlands and frequent mowing in the crop fields. When combining data from all sites, however, we found that robust agreement between NIRvP maps and canopy photosynthesis could only be achieved when matching NIRvP maps to the flux tower footprints. In this case of matched footprints, NIRvP maps showed considerably better performance than in situ NIRvP in estimating canopy photosynthesis both for daily sum and data around the time of satellite overpass (R2 = 0.78 vs. 0.60, for maps vs. in situ for the satellite overpass time case). This difference in performance was mostly due to the higher degree of consistency in slopes of NIRvP-canopy photosynthesis relationships across the study sites for flux tower footprint-matched maps. Our results show the importance of matching satellite observations to the flux tower footprint and demonstrate the potential of CubeSat constellation imagery to monitor canopy photosynthesis remotely at high spatio-temporal resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Lead tolerance and bioremoval by four strains of green algae from Nigerian fish ponds

Heavy metals from industry pose threats to human and environmental health. Microalgae are prime candidates to remove heavy metals from water and soil due to their metal-binding affinities, high growth rates, and contamination tolerance. Strain selection and composition of resulting contaminated biomass must be considered for downstream processing. In this study, we assessed the ability of four microalgae strains (Chlorophyceae) that were isolated from contaminated Nigerian fish ponds to take up dissolved lead at environmentally relevant concentrations (<0.05 mg L -1 – WHO standard). In a microplate assay, all strains grew in the presence of lead, tolerating concentrations up to 60 ppm, though the addition of dissolved lead affected the growth of the four strains. In a photobioreactor assay, all strains demonstrated the ability to take up dissolved lead, with removal efficiencies ranging from 86 to 93%. The concentrations of lead in contaminated biomass, removal efficiencies, and bioconcentration factors were greatest in one of the isolates Chlorella sp. MOW 12. Our results reinforce the fact that live microalgae have a greater biosorption capacity. Lead recovery from freeze-dried biomass using five different reagents showed that a 0.1 M hydrochloric acid solution was the most effective, with 83.4% recovery. We also showed that presence of lead in the culture medium resulted in an increase in the quantity of protein in the biomass. Elemental analysis of lead-bound biomass showed an increase in elements including boron and copper and a decrease in cobalt and sodium. Synergystic and antagonystic effect in uptake of other elements was strain specific, suggesting the possibility of tailored wastewater treatments depending on specific requirements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Optimizing bioenergy biofuel harvest: a comparative analysis of stepwise and integrated methods for economic and environmental sustainability

Switchgrass is a promising bioenergy feedstock due to its high biomass yield potential, adaptability to marginal lands, and low carbon intensity for feedstock production. However, accurate cost estimation and assessment of greenhouse gas (GHG) emissions for the energy-intensive harvesting process are essential for evaluating the sustainability of bioenergy. This study provides a comparative analysis of two harvesting methods: the Stepwise Method, which separates operations into multiple stages, and the Integrated Method, which combines mowing and raking into a single pass. The analysis was conducted under four scenarios based on field sizes and biomass yields. Using three years of field-scale switchgrass harvest data from 125 sites, GHG emissions, energy consumption, and harvesting costs were quantified using the GREET model and techno-economic analysis. Additionally, regression analysis identified key climate and operational factors affecting fuel consumption. The Stepwise method was the most cost-effective for large fields with high biomass yield, achieving the lowest harvesting costs ($37.70 per ton). In contrast, the Integrated Method performed better in small fields and low-yield conditions, reducing GHG emissions by 9 % and energy use by 5 %. Regression analysis confirmed that a larger field size reduced fuel consumption, while higher biomass yield and longer operational time increased fuel use. Maximum temperature also contributed to a slight increase in fuel consumption. Furthermore, these results provide actionable insights for optimizing harvesting strategies based on field-specific conditions and operational goals, contributing to the economic and environmental sustainability of bioenergy production.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Changing bioavailability of per- and polyfluoroalkyl substances ($\mathrm{PFAS}$) to plant in biosolids amended soil through stabilization or mobilization

Biosolids containing per- and polyfluoroalkyl substances (PFAS) could contaminate the receiving environments once they are land applied. In this report, we evaluated the feasibility of controlling the bioavailability of PFAS in biosolids to timothy-grass through stabilization or mobilization approaches. Stabilization was accomplished by adding a sorbent (i.e. granular activated carbon (GAC), RemBind, biochar) to biosolids, while mobilization was achieved by adding a surfactant, sodium dodecyl sulphate (SDS), to biosolids. The results showed that the ΣPFAS concentration in grass shoots grown in biosolids amended soil treated by GAC or RemBind at 2% was only 2.77% and 3.35% of the ΣPFAS concentration detected in shoots grown in biosolids amended soil without a sorbent, respectively, indicating the effectiveness of GAC and RemBind for stabilizing PFAS and reduce their bioavailability. On the other hand, mobilization by adding SDS to biosolids at a dose range of 10–100 mg/kg significantly increased the plant uptake of ΣPFAS by 15.48%–108.57%. Thus, mobilization by adding SDS could be a valuable approach for enhancing the PFAS removal if phytoremediation is applied. Moreover, higher rate of PFAS uptake took place after grass cutting was observed in this study. Thus, proper mowing and regrowth of timothy-grass could lead to efficient and cost-effective removal of PFAS from biosolids amended soil through phytoremediation and leave the site clean to be used for other purposes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Conceptual Design and Rationale for a New Agrivoltaics Concept: Pastured-Raised Rabbits and Solar Farming

Land-use conflicts created by the growth of solar photovoltaics (PV) can be mitigated by applying the concept of agrivoltaics, that is, the co-development of land for both PV and agricultural purposes, to commercial-scale solar installations. In this study, we present a conceptual design for a novel agrivoltaic system based on pasture-fed rabbit farming and provide the technical, environmental and economic analyses to demonstrate the viability of the concept. Included in our analysis are the economic advantages to the PV operator of grazing rabbits at a density sufficient to control vegetative growth, thus reducing the economic and environmental costs of mowing; the dual-revenue stream from the sale of both rabbits and electricity, contrasted with estimates of the capital-investment costs for rabbits co-located with, and also independent of, PV; and the economic value to the rabbit farmer of higher colony-growth rates (made possible by the shading and predator protection provided by the PV arrays and of reduced fencing costs, which are the largest capital cost, by being able to leverage the PV systems for rabbit fencing. We also provide an environmental analysis that suggests that rabbit-PV farming is a pathway to a measurable reduction in agriculturally-generated greenhouse-gas emissions. Here, our calculations indicate that the co-location of solar and rabbit farms is a viable form of agrivoltaics, increasing overall site revenue by 2.5%-24.0% above projected electricity revenue depending on location and rental/ownership of rabbits, while providing a high-value agricultural product that, on a per weight basis, has significantly less environmental impact than cattle.

14 SOLAR ENERGY↗
DOE OSTI2025

Electroreduction-Driven Formation and Connectivity of Polyoxometalate Coordination Networks

We present the synthesis of metal oxide coordination networks based on Preyssler-type polyoxoanions ([NaP 5 W 30 O 110 ] 14– and [NaP 5 MoW 29 O 110 ] 14– ) bridged with metal–aquo complexes ([M(H 2 O) n ] m+ , M m+ = Co 2+ , Ni 2+ , Zn 2+ , Y 3+ ), induced by electrochemical reduction. Networks bridged with first-row transition metals are isostructural with a previously reported Co-bridged structure, while the Y 3+ -bridged structure is new. All networks feature an uncommon binding motif of the metal cation to the oxygen atoms at cap positions, which we hypothesize is due to increased electron density at the cap upon reduction. Oxidation of a Zn 2+ -bridged network resulted in a new structure in which Zn 2+ –O cap bonds are lost, indicating the importance of reduction in the connectivity of these polyoxometalate-based coordination networks.

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

Survival and Age at Maturity in Head-Started Wood Turtles ( Glyptemys insculpta ) with Implications for Population Recovery

A small relict population of Glyptemys insculpta (Wood Turtle) was discovered on a protected area in New Jersey in 2006. Marking and radio-tracking of the old founder individuals helped to determine movement patterns and habitat use. Monitoring of nesting females revealed that nesting habitat and nest success was limited due to invasive plants, human landscape alteration, and Procyon lotor (Raccoon) depredation. We initiated habitat restoration including creation of protected nesting areas, mowing in winter, invasive plant removal, and adjacent landowner education. Here, we direct-released hatchlings from protected nests from 2006 to 2015, yet only a few were detected in subsequent years. Between 2011 and 2023, some or all of each hatchling cohort were head-started indoors at a high school for 9 months. We have continuously radio-tracked all head-starts from the 2011 cohort and portions of the 2012–2014 cohorts. Head-started turtles found their own food, established home ranges, and hibernated communally with founder adults. Subsidized Raccoons, mowers, automobiles, and flooding events—all human-instigated—were the causes of mortality. The first males and first females from the 2011 head-start cohort reached maturity in 2017 and 2019, respectively, at ages 6–8, younger than expected by 4–5 years. Successful reproduction by head-starts was confirmed by viable hatchlings produced in 2019, 2020, and 2023. Head-starting can pull a relict population out of the nose-dive to extirpation when used in conjunction with habitat-restoration practices, but it must be conducted with persistence and continuity over at least the number of years it takes for the earliest cohorts to reach maturity and begin producing offspring of their own.

59 BASIC BIOLOGICAL SCIENCES↗