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All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

JWST Mid-Infrared Spectroscopy Resolves Gas, Dust, and Ice in Young Stellar Objects in the Large Magellanic Cloud

In this work, we present spectra of 11 young stellar objects (YSOs) taken with the Mid-Infrared Instrument (MIRI) / Medium Resolution Spectroscopy (MRS) instrument onboard the James Webb Space Telescope (JWST). The YSOs are located in the N79 region of the Large Magellanic Cloud (LMC), an active star forming region with hundreds of Spitzer - and Herschel-identified YSOs and host to super star cluster (SSC) candidate H72.97-69.39. The three giant molecular clouds (GMCs) in N79 (East, West, and South) have varying star formation rates and stellar populations. MRS follow-up observations of four Spitzer -identified YSOs in N79 East, West, and South reveal that what seemed to be a single, massive YSO is actually a cluster of YSOs. We discuss the emission and absorption lines of six YSOs which have complete or almost-complete spectral coverage from 4.9 – 27.9 µm. YSO Y3, located in N79 East, is the youngest source in this study and likely to be less than 10,000 years old inferred from the prominent CH 4 , NH 3 , CH 3 OH, CH 3 OCHO, and CO 2 ice absorption features. The most luminous source is the central ionizing YSO of SSC H72.97-69.39, Y4, which has dozens of fine-structure and H 2 emission lines. Unlike the other YSOs in this work, Y4 has no polyaromatic hydrocarbon (PAH) emission lines due to the intense ionizing radiation destroying these large carbon chain molecules. The mass accretion rate based on H I (7-6) line luminosity of YSOs Y1, Y2, Y4, and Y9 range between 1.22 × 10 −4 – 1.89 × 10 −2 M ⊙ yr −1 For the first time in the mid-infrared, we are able to resolve individual high-mass protostars forming in small clusters in an extra-galactic environment like the LMC.

Omnarayni Nayak↗
DOE OSTI2011

Online Monitoring to Enable Improved Diagnostics, Prognostics and Maintenance

For both existing and new plant designs there are increasing opportunities and needs for the application of advanced online surveillance, diagnostic and prognostic techniques. These methods can continuously monitor and assess the health of nuclear power plant systems and components. The added effectiveness of such programs has the potential to enable holistic plant management, and minimize exposure to future and unknown risks. The 'NDE & On-line Monitoring' activities within the Advanced Instrumentation, Information and Control Systems (II&CS) Pathway are developing R&D to establish advanced condition monitoring and prognostics technologies to understand and predict future phenomena, derived from plant aging in systems, structures, and components (SSC). This research includes utilization of the enhanced functionality and system condition awareness that becomes available through the application of digital technologies at existing nuclear power plants for online monitoring and prognostics. The current state-of-the-art for on-line monitoring applied to active components (eg pumps, valves, motors) and passive structure (eg core internals, primary piping, pressure vessel, concrete, cables, buried pipes) is being reviewed. This includes looking at the current deployment of systems that monitor reactor noise, acoustic signals and vibration in various forms, leak monitoring, and now increasingly condition-based maintenance (CBM) for active components. The NDE and on-line monitoring projects are designed to look beyond locally monitored CBM. Current trends include centralized plant monitoring of SSC, potential fleet-based CBM and technology that will enable operation and maintenance to be performed with limited on-site staff. Attention is also moving to systems that use online monitoring to permit longer term operation (LTO), including a prognostic or predictive element that estimates a remaining useful life (RUL). Many, if not all, active components (pumps, valves, motors etc.) can be well managed, routinely diagnosed, analyzed and upgraded as needed using a combination of periodic and online CBM. The ability to successfully manage passive systems and structures is seen as the key to LTO, particularly in the USA. New approaches will be demonstrated, including prognostics for passive structures, which is critical to maintaining safety and availability and to reducing operations and maintenance costs for NPP's. To provide proactive on-line monitoring that includes estimates for RUL new projects will include advanced sensors, better understanding of stressors and challenges faced in quantification of uncertainty associated with RUL. This program area will leverage insights from past experience in other industries and seek to demonstrate the feasibility of on-line monitoring and prognostics to support NPP LTO.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

ORNL Automated-In-Motion Evaluation Environment (AIMVEE) User Training and Testing Materials - U.S. Copyright TXu 1-797-273

The AIMVEE/WIM system electronically retrieves deployment information, identifies vehicle automatically, and determines total weight, individual wheel weight, individual axle weights, axle spacing, and center-of-balance for any wheeled vehicle in motion. The AIMVEE/WIM system can also perform these functions statically for both wheel vehicles and cargo with information. The AIMVEE/WIM system incorporates digital images and applies cubing algorithms to determine length, width, height for cubic dimensions of both vehicle and cargo. Once all this information is stored, it electronically links to data collection and dissemination systems to provide actual weight and measurement information for planning, deployment, and in-transit visibility. The Static Scale Conversion (SSC) system is an unique enhancement to the AIMVEE/WIM system. It enables a SSC to weigh and measure vehicles and cargo dynamically (i.e., as they pass over the large scale and is included in the AIMVEE computer code base. The material copyrighted is the ORNL Automated-In-Motion Vehicle Evaluation Environment (AIMVEE)/Weigh-In-Motion User Training and Testing material. It includes instructional material in the set-up, operation and tear-down of the AIMVEE/WIM system. It also includes a final exam associated with the training.

Automated-in-Motion Evaluation Environment (AIMVEE↗
DOE OSTI2013

ROBUSTNESS OF DECISION INSIGHTS UNDER ALTERNATIVE ALEATORY/EPISTEMIC UNCERTAINTY CLASSIFICATIONS

The Risk-Informed Safety Margin Characterization (RISMC) pathway is a set of activities defined under the U.S. Department of Energy Light Water Reactor Sustainability Program. The overarching objective of RISMC is to support plant life-extension decision-making by providing a state-of-knowledge characterization of safety margins in key systems, structures, and components (SSCs). A key technical challenge is to establish the conceptual and technical feasibility of analyzing safety margin in a risk-informed way, which, unlike conventionally defined deterministic margin analysis, would be founded on probabilistic characterizations of SSC performance. Evaluation of probabilistic safety margins will in general entail the uncertainty characterization both of the prospective challenge to the performance of an SSC ("load") and of its "capacity" to withstand that challenge. The RISMC framework contrasts sharply with the traditional probabilistic risk assessment (PRA) structure in that the underlying models are not inherently aleatory. Rather, they are largely deterministic physical/engineering models with ambiguities about the appropriate uncertainty classification of many model parameters. The current analysis demonstrates that if the distinction between epistemic and aleatory uncertainties is to be preserved in a RISMC-like modeling environment, then it is unlikely that analysis insights supporting decision-making will in general be robust under recategorization of input uncertainties. If it is believed there is a true conceptual distinction between epistemic and aleatory uncertainty (as opposed to the distinction being primarily a legacy of the PRA paradigm) then a consistent and defensible basis must be established by which to categorize input uncertainties.

probabilistic risk assessment↗
DOE OSTI2020

STOCHASTIC OPTIMIZATION FOR LONG TERM CAPITAL STRUCTURES, SYSTEMS, AND COMPONENTS REFURBISHMENT AND REPLACEMENT

As commercial nuclear power plants (NPPs) pursue extended plant operations in the form of Second License Renewals (SLRs), opportunities exist for these plants to provide capital investments to ensure long-term, safe, and economic performance. Several utilities have already announced their intention to pursue extended operations for one or more of their NPPs via SLR2. The goal of this research is to develop a riskinformed approach to evaluate and prioritize plant capital investments made in preparation for, and during the period of, extended plant operations to support decisions in NPP operations. In order to prioritize project selection via a riskinformed approach we developed a single decision-making tool that integrates safety/reliability, cost, and stochastic optimization models to provide users with data analysis capabilities to more cost effectively manage plant assets. Both stochastic analysis methods—such as Monte Carlo-based sampling strategies—and multi-stage stochastic optimization strategies are employed to provide priority lists to decisionmakers in support of risk-informed decisions. We applied the proposed method to a trial application of projected replacement/refurbishment expenditures for plant capital assets (i.e., Structures, Systems, and Components [SSCs]). The objective is to optimize the SSC replacement/refurbishment schedule in terms of economic constraints, data uncertainties, and SSC reliability data, as well to generate a priority list for maximizing returns on investment.

42 ENGINEERING↗
DOE OSTI2017

Characterizing the Benefits of Seismic Isolation of Nuclear Structures in Terms of Reduced Risk and Cost

Seismic isolation is a mature technology that has been implemented in many civil structures, including buildings, bridges, liquid natural gas tanks, and off shore oil platforms, both in the United States and other countries, to mitigate the damaging effects of earthquakes. Seismic isolation has also been used in nuclear structures in France and South Africa, but not yet in the United States: neither in the Department of Energy facilities nor in commercial nuclear power plants (NPPs). This is primarily due to a lack of guidelines, codes and standards for the analysis, design and construction specific to seismically isolated nuclear structures. However, seismic isolation of nuclear structures has seen increased research interest in the recent years and the recently published national consensus standard, America Society of Civil Engineers (ASCE) Standard 4-16 'Seismic analysis of safety related nuclear structures', now incorporates language and commentary (Chapter 12) for seismically isolating surface or near-surface-mounted nuclear facilities, including NPPs. Seismic isolation substantially reduces horizontal seismic loads (demands) on structures, systems, and components. Reduction in demand results in four potential benefits: (1) economic: reduction in capital cost, (2) increased safety: reduction in the mean annual frequency of unacceptable performance, (3) insurance: protection against increases in the known seismic hazard after construction by minimizing the effort to re-qualify and re-certify structures, systems and components, and (4) recertification: the opportunity to certify an existing NPP design for a region of higher seismic hazard. Item (2) above, an increase in safety (reduction of seismic risk), was explored in Huang et al., wherein it was demonstrated that the implementation of seismic isolation reduced seismic risk in nuclear power plant structures. Studies that assess item (1) have not been performed although the use of isolation may lead to large reductions in the capital cost of safety-related nuclear facilities. Funding provided by Nuclear Safety Research and Development in the Department of Energy (DOE) allowed the authors to develop a framework for assessing the economic benefits and reductions in seismic risk afforded by the use of seismic (base) isolation. The framework includes probabilistic risk assessment and estimation of overnight capital costs (OCC's) of a sample generic DOE nuclear facility (GDNF). The project is documented in detail in Bolisetti et al. and Yu et al., and key results are presented here. The GDNF considered in this study is based on a facility constructed at the Idaho National Laboratory. The GDNF is a two-story reinforced concrete building with an embedded basemat and is founded on soft rock at the boundary of Site Class B and Site Class C (B/C boundary) as characterized by ASCE/SEI Standard 7. The GDNF is assumed to handle radiological materials, and its structure, systems and components (SSC's) are designed to effectively confine these materials in the event of an internal failure. The GDNF is populated with components that are generic to safety-related nuclear structures. A single system, which is intended to confine a loss of materials-at-risk (MAR) to the interior of the structure, is chosen for this study. Accordingly, a hypothetical event tree and fault tree are assumed for risk assessment. The isolation system for the GDNF is designed per Chapter 12 of ASCE/SEI 4-16 but is not optimized. The isolation system consists of 38 lead rubber bearings installed in one horizontal plane below the basemat. Details of the GDNF, including the SSC's, event tree and fault tree, and isolation system, are presented in the project report and Yu et al.. This study includes seismic risk assessment and cost estimation for four cases: (1) the GDNF is located at a site of low to moderate seismic hazard and is constructed on a conventional (non-isolated) foundation; (2) the GDNF is located at the same site as case 1, but is seismically isolated; (3) the GDNF is located at a site of high seismic hazard and is constructed on a conventional foundation; and (4) the GDNF is located at the same site of high seismic hazard as case 3, but is seismically isolated. In this study, the DOE site at Idaho National Laboratory (INL) is chosen as the low to moderate seismic hazard site for cases 1 and 2, and the Los Alamos National Laboratory (LANL) is chosen as the high seismic hazard site for cases 3 and 4.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2004

New Software for Ensemble Creation in the Spitzer-Space-Telescope Operations Database

Some of the computer pipelines used to process digital astronomical images from NASA's Spitzer Space Telescope require multiple input images, in order to generate high-level science and calibration products. The images are grouped into ensembles according to well documented ensemble-creation rules by making explicit associations in the operations Informix database at the Spitzer Science Center (SSC). The advantage of this approach is that a simple database query can retrieve the required ensemble of pipeline input images. New and improved software for ensemble creation has been developed. The new software is much faster than the existing software because it uses pre-compiled database stored-procedures written in Informix SPL (SQL programming language). The new software is also more flexible because the ensemble creation rules are now stored in and read from newly defined database tables. This table-driven approach was implemented so that ensemble rules can be inserted, updated, or deleted without modifying software.

Spitzer Science Center (SSC)↗
DOE OSTI2017

A High-Performing Direct Carbon Fuel Cell with a 3D Architectured Anode Operated Below 600 °C

Direct carbon fuel cells (DCFCs) are highly efficient and sustainable power generators fueled by abundant and cheap solid carbons. However, the limited formation of triple phase boundaries (TPBs) within fuel electrode inhibits their performance even at very high temperatures. To address the challenges of low carbon oxidation activity and low carbon utilization simultaneously, a highly efficient anode with 3D solid-state textile framework has been developed to advance the performance of DCFCs at intermediate temperatures. The cells with the 3D textile anode, Gd:CeO 2 -Li/Na 2 CO 3 composite electrolyte, and Sm 0.5 Sr 0.5 CoO 3 (SSC) cathode have demonstrated excellent performance at intermediate temperatures with maximum power densities of 143, 196, and 325 mW cm -2 at 500, 550, and 600°C, respectively. At 500°C, the cells could be operated steadily at a constant polarization current density of 0.15Acm -2 at for approximately 2 hours with a carbon utilization reaching 86%. The significant improvement of the cell performance at low temperatures attributes to the high synergistic conduction of the composite electrolyte and the superior 3D anode structure which offers more paths for carbon catalytic oxidation. Our results indicate the feasibility of directly electrochemical oxidation of solid carbon at 500-600°C with a high carbon utilization and represent a promising strategy to develop 3D architectured electrodes for fuel cells and other electrochemical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Skeletal stem cell and bone implant interactions are enhanced by LASER titanium modification

Purpose: To evaluate the osteo-regenerative potential of Titanium (Ti) modified by Light Amplification by Stimulated Emission of Radiation (LASER) beam (Yb-YAG) upon culture with human Skeletal Stem Cells (hSSCs{sup 1}). Methods: Human skeletal cell populations were isolated from the bone marrow of haematologically normal patients undergoing primary total hip replacement following appropriate consent. STRO-1{sup +} hSSC{sup 1} function was examined for 10 days across four groups using Ti discs: i) machined Ti surface group in basal media (Mb{sup 2}), ii) machined Ti surface group in osteogenic media (Mo{sup 3}), iii) LASER-modified Ti group in basal media (Lb{sup 4}) and, iv) LASER-modified Ti group in osteogenic media (Lo{sup 5}). Molecular analysis and qRT-PCR as well as functional analysis including biochemistry (DNA, Alkaline Phosphatase (ALP{sup 6}) specific activity), live/dead immunostaining (Cell Tracker Green (CTG{sup 7})/Ethidium Homodimer-1 (EH-1{sup 8})), and fluorescence staining (for vinculin and phalloidin) were undertaken. Inverted, confocal and Scanning Electron Microscopy (SEM) approaches were used to characterise cell adherence, proliferation, and phenotype. Results: Enhanced cell spreading and morphological rearrangement, including focal adhesions were observed following culture of hSSCs{sup 1} on LASER surfaces in both basal and osteogenic conditions. Biochemical analysis demonstrated enhanced ALP{sup 6} specific activity on the hSSCs{sup 1}-seeded on LASER-modified surface in basal culture media. Molecular analysis demonstrated enhanced ALP{sup 6} and osteopontin expression on titanium LASER treated surfaces in basal conditions. SEM, inverted microscopy and confocal laser scanning microscopy confirmed extensive proliferation and migration of human bone marrow stromal cells on all surfaces evaluated. Conclusions: LASER-modified Ti surfaces modify the behaviour of hSSCs.{sup 1} In particular, SSC{sup 1} adhesion, osteogenic gene expression, cell morphology and cytoskeleton structure were affected. The current studies show Ti LASER modification can enhance the osseointegration between Ti and skeletal cells, with important implications for orthopaedic application. - Highlights: • Bone stem cells on LASER Ti surface display enhanced cell growth and viability. • Bone stem cells on LASER Ti surface exhibit marked biocompatibility. • Human bone stem cells on LASER Ti surface exhibit altered morphology. • LASER Ti enhance osteogenic differentiation of human bone skeletal stem cells. • LASER Ti provides a unique approach to enhance osseointegration with the material.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Prolyl isomerase Pin1 is required sperm production by promoting mitosis progression of spermatogonial stem cells

Highlights: • Pin1{sup −/−} mice had severe testicular atrophy. • Pin1{sup −/−} mice had less undifferentiated spermatogonia. • Pin1{sup −/−} and WT mice had similar cell counts of spermatogonial stem cells. • Pin1 promotes mitosis progression of spermatogonial stem cells. • Pin1 promotes differentiation of spermatogonial stem cell. A prolyl isomerase Pin1 deficient (Pin1{sup −/−}) male mice had severe testicular atrophy. We investigated the function of Pin1 in spermatogenesis by analyzing the Pin1{sup −/−} mice at reproductive age. Pin1{sup −/−} mice had lessαPLZF positive spermatogonia (undifferentiated spermatogonia) than wild type (WT). Nevertheless, the Pin1{sup −/−} testis contained approximately the same number of GFRα1 positive spermatogonia (SSCs in steady state) as the WT testis. Furthermore, degeneration of the spermatogenia appeared in seminiferous tubules of 10 months old Pin1{sup −/−} mouse testis, and abnormal shape GFRα1 positive spermatogonia were observed. In Pin1{sup −/−} spermatogonia, the ratio of the phospho-histone H3 positive cells (mitotic cells) in GFRα1-positive spermatogonia was higher than that of WT. These results suggest that Pin1 promotes the progression of the mitotic cell cycle of SSC in steady-state, which is required for the sperm production from SSCs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Enhancement of low-temperature solid oxide fuel cell performance and durability via surface chemistry modification

The development of active cathodes is one of the most critical challenges to lowering the operating temperature for solid oxide fuel cells (SOFCs). Here, in this work, we demonstrated that by modifying the cathode surface chemistry at a relatively low temperature, the cathode activity and durability can be simultaneously enhanced on high-performing, low-temperature cathodes such as (La 0.6 Sr 0.4 ) 0.95 Co 0.2 Fe 0.8 O 3-δ (LSCF) and Sr 0.5 Sm 0.5 CoO 3-δ (SSC). This low-temperature modification using multi-valent cations activates the highly defected surface and maintains the nanoscale electrocatalysts by bypassing the high-temperature sintering procedure for SOFC fabrication. The modified cathode at 600°C shows an order of magnitude reduction in impedance to only 0.05 Ωcm 2 with a peak power density of 1.1 W/cm 2 and increases stability over 2000 h. The combination of in situ characterization, distribution of relaxation time analysis on impedance spectroscopy, and surface chemistry analysis reveals the importance of surface chemistry control on the gas-solid reaction activity and durability and provides the design principle for numerous future solid oxide cells.

25 ENERGY STORAGE↗
DOE OSTI2021

Cascade CO 2 electroreduction enables efficient carbonate-free production of ethylene

CO 2 electroreduction provides a route to convert waste emissions into chemicals such as ethylene (C 2 H 4 ). However, the direct transformation of CO 2 -to-C 2 H 4 suffers from CO 2 loss to carbonate, consuming up to 72% of energy input. A cascade approach—coupling a solid-oxide CO 2 -to-CO electrochemical cell (SOEC) with a CO-to-C 2 H 4 membrane electrode assembly (MEA)—would eliminate CO 2 loss to carbonate. However, this approach requires a CO-to-C 2 H 4 MEA with energy efficiency well beyond demonstrations to date. Focusing on the MEA, in this study we find that an N-tolyl substituted tetrahydro-bipyridine film improves the stabilization of key reaction intermediates, while an SSC ionomer enhances CO transport to the Cu surface, enabling a C 2 H 4 faradaic efficiency of 65% at 150 mA cm –2 for 110 h. Demonstrating a cascade SOEC-MEA approach, we achieve CO 2 -to-C 2 H 4 with a ~48% reduction in energy intensity compared with the direct route. We further reduce the energy intensity by coupling CO electroreduction (CORR) with glucose electrooxidation.

10 SYNTHETIC FUELS↗
DOE OSTI2013

Phase structure in segmented polyurethanes having fatty acid-based soft segments

Abstract: Structural studies on two segmented polyurethanes prepared form the modified oleic acid soft segments and butane diol/diphenylmethane diisocyanate hard segments, were carried out. Polyurethanes were thermoplastic elastomers with soft segment concentration (SSC) of 50% (TPU-50) and 70% (TPU-70). Dynamic mechanical analysis revealed the co-continuous morphology in TPU-50 and dispersed hard domains in the soft matrix in TPU-70. AFM revealed the micron size globules in TPU-70 ascribed to hard segment-rich spherulites and alternating small soft and hard domains in TPU- 50, with lateral dimensions of about 15 nm with local modulus deviations from 40 to 50 MPa, consistent with co-continuous morphology. The dispersed hard domains in the soft matrix for TPU-70, and co-continuous phases in TPU-50 morphology was confirmed. USAXS showed the domain spacing for TPU-50 was about 13.3 nm and about 11.3 nm for TPU-70. USAXS revealed that the interface between phase-separated domains exhibit a surface-fractal-like behavior.

fatty acid↗
DOE OSTI2012

Design of top covers supporting aerobic in situ stabilization of old landfills - An experimental simulation in lysimeters

Highlights: Black-Right-Pointing-Pointer Tested engineered covers as surrogate to gas extraction during and after in situ aeration. Black-Right-Pointing-Pointer Examined how covers influence gas emissions, water balance and leachate generation. Black-Right-Pointing-Pointer Investigated effect of top covers on air-distribution in waste mass during aeration. Black-Right-Pointing-Pointer We suggest criteria and cover design to meet the demands during and after aeration. Black-Right-Pointing-Pointer Such cover systems may offer greenhouse gas emission reduction also after active aeration. - Abstract: Landfill aeration by means of low pressure air injection is a promising tool to reduce long term emissions from organic waste fractions through accelerated biological stabilization. Top covers that enhance methane oxidation could provide a simple and economic way to mitigate residual greenhouse gas emissions from in situ aerated landfills, and may replace off-gas extraction and treatment, particularly at smaller and older sites. In this respect the installation of a landfill cover system adjusted to the forced-aerated landfill body is of great significance. Investigations into large scale lysimeters (2 Multiplication-Sign 2 Multiplication-Sign 3 m) under field conditions have been carried out using different top covers including compost materials and natural soils as a surrogate to gas extraction during active low pressure aeration. In the present study, the emission behaviour as well as the water balance performance of the lysimeters has been investigated, both prior to and during the first months of in situ aeration. Results reveal that mature sewage sludge compost (SSC) placed in one lysimeter exhibits in principle optimal ambient conditions for methanotrophic bacteria to enhance methane oxidation. Under laboratory conditions the mature compost mitigated CH{sub 4} loadings up to 300 l CH{sub 4}/m{sup 2} d. In addition, the compost material provided high air permeability even at 100% water holding capacity (WHC). In contrast, the more cohesive, mineral soil cover was expected to cause a notably uniform distribution of the injected air within the waste layer. Laboratory results also revealed sufficient air permeability of the soil materials (TS-F and SS-Z) placed in lysimeter C. However, at higher compaction density SS-Z became impermeable at 100% WHC. Methane emissions from the reference lysimeter with the smaller substrate cover (12-52 g CH{sub 4}/m{sup 2} d) were significantly higher than fluxes from the other lysimeters (0-19 g CH{sub 4}/m{sup 2} d) during in situ aeration. Regarding water balance, lysimeters covered with compost and compost-sand mixture, showed the lowest leachate rate (18-26% of the precipitation) due to the high water holding capacity and more favourable plant growth conditions compared to the lysimeters with mineral, more cohesive, soil covers (27-45% of the precipitation). On the basis of these results, the authors suggest a layered top cover system using both compost material as well as mineral soil in order to support active low-pressure aeration. Conventional soil materials with lower permeability may be used on top of the landfill body for a more uniform aeration of the waste due to an increased resistance to vertical gas flow. A compost cover may be built on top of the soil cover underlain by a gas distribution layer to improve methane oxidation rates and minimise water infiltration. By planting vegetation with a high transpiration rate, the leachate amount emanating from the landfill could be further minimised. The suggested design may be particularly suitable in combination with intermittent in situ aeration, in the later stage of an aeration measure, or at very small sites and shallow deposits. The top cover system could further regulate water infiltration into the landfill and mitigate residual CH{sub 4} emissions, even beyond the time of active aeration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

PKS 1954–388: RadioAstron detection on 80,000 km baselines and multiwavelength observations

Here, we present results from a multiwavelength study of the blazar PKS 1954–388 at radio, UV, X-ray, and gamma-ray energies. A RadioAstron observation at 1.66 GHz in June 2012 resulted in the detection of interferometric fringes on baselines of 6.2 Earth-diameters. This suggests a source frame brightness temperature of greater than 2 × 10 12 K, well in excess of both equipartition and inverse Compton limits and implying the existence of Doppler boosting in the core. An 8.4-GHz TANAMI VLBI image, made less than a month after the RadioAstron observations, is consistent with a previously reported superluminal motion for a jet component. Flux density monitoring with the Australia Telescope Compact Array confirms previous evidence for long-term variability that increases with observing frequency. A search for more rapid variability revealed no evidence for significant day-scale flux density variation. The ATCA light-curve reveals a strong radio flare beginning in late 2013, which peaks higher, and earlier, at higher frequencies. Comparison with the Fermi gamma-ray light-curve indicates this followed ~ 9 months after the start of a prolonged gamma-ray high-state—a radio lag comparable to that seen in other blazars. The multiwavelength data are combined to derive a Spectral Energy Distribution, which is fitted by a one-zone synchrotron-self-Compton (SSC) model with the addition of external Compton (EC) emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Dry Reforming of Methane on Single-Site Ni/MgO Catalysts: Importance of Site Confinement

Single-site catalysts (SSCs) have drawn considerable attention, because of their superior behaviors in catalysis. However, the origin of promoting the effect of a single site is not well understood. Here in this paper, we take the single-atom Ni1/Mg(100) and single-site Ni4/Mg(100) catalysts as a case study to elucidate their behaviors under the complex dry reforming of methane (DRM, CO 2 + CH 4 → 2CO + 2H 2 ) reaction by combining theoretical modeling (density functional theory and kinetic Monte Carlo simulation) and experimental studies. The synergy between single Ni atom and MgO is found to improve the binding property of MgO; yet, it is not enough to dissociate CO 2 and CH 4 . It can be achieved by the single-site Ni 4 /MgO(100) catalyst, enabling the formations of CO, H 2 , and H 2 O under the DRM conditions. During this process, coking, as observed for bulklike Ni particles, is eliminated. By confining the reaction to occur at the isolated Ni sites in the SSC, the Ni 4 /MgO(100) catalyst is able to balance the CO 2 and CH 4 activations, which is identified as the key for tuning the DRM activity and selectivity of Ni/MgO catalysts. The theory-identified promotion introduced by increasing the size of MgO-supported Ni clusters from Ni 1 to Ni 4 and the MgO-introduced site confinement of single-site catalysts are verified by corresponding experimental studies, highlighting the essential roles of confined sites in tuning the performance of SSCs during complex catalytic processes.

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

Atomically Precise Single-Site Catalysts via Exsolution in a Polyoxometalate–Metal–Organic-Framework Architecture

Single-site catalysts (SSCs) achieve a high catalytic performance through atomically dispersed active sites. A challenge facing the development of SSCs is aggregation of active catalytic species. Reducing the loading of these sites to very low levels is a common strategy to mitigate aggregation and sintering; however, this limits the tools that can be used to characterize the SSCs. Here we report a sintering-resistant SSC with high loading that is achieved by incorporating Anderson–Evans polyoxometalate clusters (POMs, MMo 6 O 24 , M = Rh/Pt) within NU-1000, a Zr-based metal–organic framework (MOF). The dual confinement provided by isolating the active site within the POM, then isolating the POMs within the MOF, facilitates the formation of isolated noble metal sites with low coordination numbers via exsolution from the POM during activation. The high loading (up to 3.2 wt %) that can be achieved without sintering allowed the local structure transformation in the POM cluster and the surrounding MOF to be evaluated using in situ X-ray scattering with pair distribution function (PDF) analysis. Notably, the Rh/Pt···Mo distance in the active catalyst is shorter than the M···M bond lengths in the respective bulk metals. Furthermore, models of the active cluster structure were identified based on the PDF data with complementary computation and X-ray absorption spectroscopy analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes

Molecular dynamics simulations were performed to investigate the relationship between the molecular structure of perfluorosulfonic acid (PFSA) ionomers and the nanoscale morphology of the hydrated membranes. Three structural features are examined including (i) the length of the side chain to which the sulfonic acid group is attached, (ii) the equivalent weight (EW) of the electrolyte ionomer, and (iii) the molecular weight (MW) of the polymer electrolyte. Membrane morphologies are studied from the water content λ = 3 (λ represents number of water molecules per sulfonate group) to saturation (λ = 22). We find that with the longer side chain, there is more clustering of the sulfonate groups and more local water-water clustering, but a more poorly connected aqueous domain. When one decreases the equivalent weight (EW) in either the short side chain (SSC) PFSA or Nafion, there is more clustering of the sulfonate groups and more local water-water clustering and a better connected aqueous domain. Because connec... LESS

Chemistry↗