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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 73 records · Page 4

Integration of the fundamental knowledge on solvent-packing interactions into the multiscale framework for column scale design and optimization

The interfacial area, also known as the effective mass transfer area, is a key factor for determining the mass transfer for carbon dioxide (CO 2 ) capture via the chemical absorption process in a packed column, and thus the overall capture efficiency of the packed column. Most of the widely used empirical and semi-empirical models for interfacial area were derived indirectly through absorption mass transfer with simplifications based on fast chemical kinetics. This report presents the comprehensive unique multiscale approach to develop a surrogate model for effective mass transfer area in structured packed columns that accounts local hydrodynamics as well as variation in physical properties, and changes in solid surface characteristics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vertically Self-Oriented, Ultrafast 1D ZnO:Li Nanorods as Scintillators for Thermal Neutron Detection

Detection of special nuclear materials (SNMs) is of vital importance in the prevention of nuclear terrorism and to secure states’ national security. Neutron detection is a particularly useful tool to identify SNM, and neutron-sensitive scintillators have many promising properties, such as ease of use, good time resolution, and high detection efficiency. In this work, we develop highly stable, self-oriented, ultrafast 1D ZnO:Li (and codoped with Al, Ga, and In) nanorods (NRs) as thermal neutron-sensitive scintillators. Lithium-6 has high thermal neutron cross section for the (n, α) reaction in ZnO:Li scintillators which have a vertical nano array design greatly increasing the effective surface area and scintillation efficiency. Cost-effective low-temperature (95 °C) hydrothermal growth is used to obtain highly crystalline ZnO:Li nano scintillators by combining nuclear range data and electron transport mechanisms. Among the studies using low-temperature hydrothermal synthesis and a relatively low annealing temperature (≈350 °C) along with optimized NRs (length ≈ 5–8 μm, mean diameter ≈ 700 nm) for thermal neutron detection, this study reports the shortest scintillation decay time (≈ 470 ps) so far to the best of our knowledge. In conclusion, this nano array scintillator combines the advantages of a low-cost growth technique with environmentally friendly and widely available materials.

Ions↗

Coherency-Constrained Spectral Clustering for Power Network Reduction

This paper presents a methodology for reducing the complexity of large-scale power network models using spectral clustering, aggregation of electrical components, and cost function approximation. Two approaches are explored using unconstrained and constrained spectral clustering to determine areas for effective system reduction. Once the system areas are determined, both loads and generators by type are aggregated, and their new cost function is approximated through polynomial curve-fitting or statistical methods. The performance of reduced networks is evaluated in terms of their ability to follow the true daily cost of the original system over a 24-hour period considering a set of several days. Two test systems are taken as test beds. Application of the methodology to a modified version of the IEEE 39-bus system reduces it from 17 generators to a 4-bus system and 9 generators with about 93% of accuracy. Similarly, the IEEE 118-bus system is reduced from 19 generators to a 3-bus system with three aggregated units achieving over 99% of accuracy. These findings address scalability challenges and enhance accuracy for high and mid-loading level conditions, and by aggregating thermal units with similar cost functions.

42 ENGINEERING↗

Numerical study of the effect of propped surface area and fracture conductivity on shale gas production: Application for multi-size proppant pumping schedule design

Hydraulic fracturing is a technique extensively used in the oil and gas industry, where water, proppant (sand) and additives are injected into unconventional reservoirs to enhance the recovery of shale hydrocarbon. Although some previous studies have developed pumping schedules that maximize gas production for a single-size proppant, there are very few studies that consider the effect of varying proppant diameters across pumping stages on shale gas production. Motivated by this, we carried out an extensive sensitivity analysis to determine the effect of different proppant diameters on the average fracture conductivity (FC), average propped surface area (PSA) and cumulative shale gas production volume. We found out that the cumulative shale gas production volume depends on both the average PSA and average FC. We also found out that small-diameter proppant resulted in higher average PSA and lower average FC, whereas large-diameter proppant resulted in lower average PSA and higher average FC. Hence, we designed a multi-size proppant pumping schedule considering both of these parameters into account for simultaneously propagating multiple fractures to maximize shale gas production from unconventional reservoirs. Since the size of injected proppant particles determines the average PSA and average FC for the propped hydraulic fractures, we developed a novel framework called Sequentially Interlinked Modeling Structure (SIMS) to predict the average PSA, average FC and cumulative shale gas production volume at the end of 10 years for a given pumping schedule. Then, we used this SIMS framework to obtain a multi-size proppant pumping schedule that maximizes shale gas production. In closing, we demonstrated that the obtained pumping schedule gives a cumulative shale gas production volume greater than the values obtained from the existing pumping schedules.

03 NATURAL GAS↗

Effect of Blown Powder Directed Energy Deposition Angle On Overspray Contamination

Abstract Blown powder directed energy deposition (DED) hybrid machine tools are particularly beneficial when the net shape of a component is to be manufactured in an additive and machined interleaved fashion. This investigation seeks to analyze the effect of the additive head lean angle relative to the part on blown powder DED surface contamination due to overspray. These hybrid DED platforms are commonly installed on multi-axis machining systems where the lean of the deposition head relative to the component surface can be controlled by tilting the component. The blown powder DED process has a 10–50% lower catchment efficiency as compared to wire fed DED systems. This excess powder is still fed towards the deposition location where the particles are heated by the laser and rebound off the melt pool. Some of these heated particles impact the previously machined thin-wall surface. While the deposition process and tool path planning process has been evaluated, the effect of the overspray due to lean angle of the deposition head on the previously thin-wall machined surface is not yet fully understood. This investigation found that minimum lean angle coincides with minimal overspray effect with nearly no contamination. If a lean angle is required, the maximum lean angle possible should be implemented for the smallest effected overspray area on the machined surface which was found to decrease the affect zone by half compared to intermediate lean angles. A diameter divergence was also noticed as the deposition angle was increased. In this study, a thorough analysis of the surface and geometric effects when depositing thin-walled components at varying angles is completed. It has been shown that part quality can be significantly affected by lean angle and thus must be incorporated as an additional design consideration in the manufacturing process.

Heinrich, Lauren↗

Probing the role of CNTs in Pt nanoparticle/CNT/graphene nanohybrids H 2 sensors

Abstract In the carbon nanotubes film/graphene heterostructure decorated with catalytic Pt nanoparticles using atomic layer deposition (Pt-NPs/CNTs/Gr) H 2 sensors, the CNT film determines the effective sensing area and the signal transport to Gr channel. The former requires a large CNT aspect ratio for a higher sensing area while the latter demands high electric conductivity for efficient charge transport. Considering the CNT’s aspect ratio decreases, while its conductivity increases ( i.e. , bandgap decreases), with the CNT diameter, it is important to understand how quantitatively these effects impact the performance of the Pt-NPs/CNTs/Gr nanohybrids sensors. Motivated by this, this work presents a systematic study of the Pt-NPs/CNTs/Gr H 2 sensor performance with the CNT films made from different constituent CNTs of diameters ranging from 1 nm for single-wall CNTs, to 2 nm for double-wall CNTs, and to 10–30 nm for multi-wall CNTs (MWCNTs). By measuring the morphology and electric conductivity of SWCNT, DWCNT and MWCNT films, this work aims to reveal the quantitative correlation between the sensor performance and relevant CNT properties. Interestingly, the best performance is obtained on Pt-NPs/MWCNTs/Gr H 2 sensors, which can be attributed to the compromise of the effective sensing area and electric conductivity on MWCNT films and illustrates the importance of optimizing sensor design.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Differentiation of static and dynamic interfacial area in the structured packed column

Effective mass-transfer area plays a key role for post-combustion carbon capture. The static area, an inactive part relative to mass transfer, needs to be differentiated in the interfacial area. In the present study, CFD method is employed to investigate static and dynamic interfacial areas in Mellapak 500.Y structured packing. Here, a wide range of physical properties and loading conditions are included to understand their effects on both areas. The result shows that the relationship between interfacial area and interfacial velocity at the local scale can be described by gamma distribution with good accuracy. The influences of various physical properties derived from simulation are compared with existing experiment-based correlations for both static and interfacial areas. The result shows the dominant influence of viscosity on the static area, and the most importance of the influence of contact angle on the interfacial area. This study also highlights the importance of viscosity, which is usually ignored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

FEbeam: Cavity and electron emission data conversion, processing, and analysis. A freeware toolkit for rf injectors

FEbeam is an all-in-one field emission data processing interface with the capability to analyze the field emission cathode performance in an rf injector by extracting the field enhancement factor, local field, and effective emission area from the Fowler–Nordheim equations. It also has the capability of processing beam imaging micrographs using its sister software, FEpic. Furthermore, the current version of FEbeam was designed for the Argonne Cathode Test-stand of the Argonne Wakefield Accelerator facility switch yard. With slight modifications, FEbeam could work for many rf field emission injectors. This software is open-source and can be found at GitHub.

43 PARTICLE ACCELERATORS↗

Report Series: Evaluation, Finding Of Effect, And Mitigation Documentation For Building 23-109, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE) National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to demolish Building 23-109, the Mercury Fire Station/Maintenance/Housing Office (Nevada State Historic Preservation Office [SHPO] Resource No. B15235) at the Nevada National Security Site (NNSS) in Nye County, Nevada. The NNSA/NFO is implementing a long-term project to modernize the town of Mercury for future mission needs. The project is considered an undertaking subject to review under Title 54 of United States Code (USC) § 306108, commonly known as Section 106 of the National Historic Preservation Act, Title 54 USC § 300101, et seq., and its implementing regulations, Title 36 of the Code of Federal Regulations (36 CFR) Part 800. In 2018, Desert Research Institute (DRI) completed an architectural survey of the town of Mercury. This effort resulted in the identification, recordation, and evaluation of the Mercury Historic District (MHD, SHPO Resource No. D230), including the identification of its contributing elements (Reno et al. 2018). The MHD was recommended eligible for listing in the National Register of Historic Places (NRHP, National Register) under the Secretary of the Interior’s (SOI) Significance Criteria A and C, as defined in 36 CFR Part 60.4, as a significant concentration of buildings and structures with a direct and important association with Cold War-era nuclear testing from 1951 through 1992. It has not been evaluated under Criteria B and D to date. As part of a larger modernization program for Mercury, the NNSA/NFO and the SHPO executed the 2018 Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (Mercury PA). The Mercury PA includes streamlined Section 106 procedures for undertakings in the MHD based on contributing element categories. Building 23-109 is identified in Appendix C of the Mercury PA as a Category I contributing element, indicating that it might be individually eligible for the NRHP. It is a historic property for the purposes of Section 106 compliance and subject to the stipulations of the Mercury PA. Per Stipulation VI of the Mercury PA, when the Area of Potential Effect (APE) for an undertaking includes Category I elements, the NNSA/NFO must evaluate the Category I elements for individual NRHP eligibility under all of the SOI Significance Criteria prior to initiating any activity that may affect the elements. The purpose of this report is to evaluate Building 23-109 as a potential individually eligible historic property in fulfillment of Stipulation VI of the Mercury PA. The evaluation detailed herein concludes that Building 23-109 is not individually eligible for listing in the NRHP. Although it retains some aspects of integrity and continues to contribute to the MHD, it is not individually significant under any of the SOI Significance Criteria.

54 ENVIRONMENTAL SCIENCES↗

Report Series: Evaluation, Finding Of Effect, And Mitigation Documentation For Building 23-113, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE) National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to demolish Building 23-113 in Mercury (Nevada State Historic Preservation Office [SHPO] Resource No. B15236), which is on the Nevada National Security Site (NNSS) in Nye County, Nevada. Demolition of Building 23-113 is part of the long-term project to modernize the town of Mercury on the NNSS for future mission needs. The project is considered an undertaking subject to review under Title 54 of United States Code (USC) § 306108, commonly known as Section 106 of the National Historic Preservation Act, Title 54 USC § 300101, et seq., and its implementing regulations, Title 36 of the Code of Federal Regulations (36 CFR) Part 800. In 2018, Desert Research Institute (DRI) completed an architectural survey of the town of Mercury. This effort resulted in the identification, recordation, and evaluation of the Mercury Historic District (MHD, SHPO Resource No. D230), including the identification of its contributing elements (Reno et al. 2018). The MHD was recommended eligible for listing in the National Register of Historic Places (NRHP, National Register) under the Secretary of the Interior’s (SOI) Significance Criteria A and C, as defined in 36 CFR Part 60.4, as a significant concentration of buildings and structures with a direct and important association with Cold War-era nuclear testing from 1951 through 1992. It has not been evaluated under Criteria B and D to date. As part of a larger modernization program for Mercury, the NNSA/NFO and the SHPO executed the 2018 Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (the Mercury PA). The Mercury PA includes streamlined Section 106 procedures for undertakings in the MHD based on contributing element categories. Building 23-113 is identified in Appendix C of the Mercury PA as a Category I contributing element, indicating that it might be individually eligible for the NRHP. It is a historic property for the purposes of Section 106 compliance and subject to the stipulations of the Mercury PA. Per Stipulation VI of the Mercury PA, when the Area of Potential Effect (APE) for an undertaking includes Category I elements, the NNSA/NFO must evaluate the Category I elements for individual NRHP eligibility under all of the SOI Significance Criteria prior to initiating any activity that may affect the elements. Therefore, the purpose of this report is to evaluate Building 23-113 as a potential individually eligible historic property in fulfillment of Stipulation VI of the Mercury PA. The evaluation detailed herein concludes that although Building 23-113 is significant at the local level for its important role as a recreational facility on the NNSS, the building lacks sufficient integrity to convey its significance. It is not individually eligible for listing in the NRHP at any level. The building remains eligible as a contributing element to the MHD.

54 ENVIRONMENTAL SCIENCES↗

Electrolyte-phobic Surface for the Next-Generation Nanostructured Battery Electrodes

Nanostructured electrodes are among the most important candidates rationally designed to enable high capacity battery chemistry. Nanostructures can solve issues such as the volume change and mechanical fragmentations. However, the high surface area they usually possess would decrease the Coulombic efficiencies, since the side chemical reactions scale with surface area. Moreover, electrodes comprised of nanomaterials have significant intakes of liquid electrolytes, which reduces the overall energy density and increases the cost of the battery. Here we present a new strategy of limiting effective surface area by introducing an “electrolyte-phobic surface”. In this study, a porous Si anode functions as a model material to demonstrate this concept. Silicon boasts high theoretical capacity, but experiences large volume change during its lithiation and delithiation processes. Porous Si can address this volume change problem with the buffer effect of its inner pores. However, porous silicon shows low initial Coulombic efficiencies and high irreversible lithium loss, owing to its intrinsic high surface area. In this report, a covalently linked perfluorinated surface coating layer on porous Si particles serves as an electrolyte-phobic protection layer, minimizing the accessible surface area for the electrolytes, decreasing the side reactions between the electrolyte and Si surface, and thus significantly enhancing the initial Coulombic efficiencies, up to ~88% compared to ~60% for the pristine porous silicon. Meanwhile, the electrolyte-phobic protection layer of Si particles keeps the silicon surface compatible with the conventional polyvinylidene fluoride (PVDF) binder, which helps to stabilize the Si electrode for long-term battery cycling.

Qian, Chenxi↗

WORKSHOP ON URBAN SCALE PROCESSES AND THEIR REPRESENTATION IN HIGH SPATIAL RESOLUTION EARTH SYSTEM MODELS

It is essential that numerical models used to study physics, chemistry, and biology affecting the Earth system at regional and global scales represent the effects of urban areas on climate and the effects of changing the climate on urban areas. At the same time, it is essential to develop state of the art, simple and accurate urban models to better understand the relevant processes and also toaddress issues related to urban security against the spectra of chemical, biological and radiological (CBR) hazards. Towards bringing these communities together, a 2.5-day international workshop was held at Argonne National Laboratory (ANL) in the Chicago area on May 22-24, 2019. This workshop brought together national and international experts to develop a roadmap for a better understanding of the issues associated with urban areas and at enhancing the capabilities of regional and global Earth System models (ESMs) in representing the atmospheric dynamics and chemistry, unique aspects of the biosphere and land use, and human dimensions of the urban environment. This workshop was especially important to those developing very high-resolution versions of regional and global models. The workshop also discussed existing datasets, including in situ and satellite observations, and the emerging smart city sensing technologies and their possible use in model development (e.g., the NSF-funded Array of Things network currently operating in Chicago and expanding to other cities).

54 ENVIRONMENTAL SCIENCES↗

DRiFT - Release 2.1.0: Organic Scintillators and Gas Detectors

DRiFT (a Detector Response Function Toolkit) is LANL-developed software that post-processes output from the extensively validated radiation transport code, MCNP, and generates realistic nuclear instrumentation response. DRiFT is designed to be flexible, enabling users to specify detector type and many experimental settings, as well as accommodating the addition of their own desired features. The focus of this release is on organic scintillator, gas detector, and associated capabilities, while semiconductor features are still under development. Organic scintillators are widely used in the areas of nuclear safeguards and nuclear non-proliferation efforts. DRiFT has several diagnostic and detector physics features relevant to detailed scintillator simulations including: tracking source particle information, scintillation light production, the effects of PMT quantum efficiency and gain, and digitizer settings. Users can select responses from many scintillator and PMT types supported natively by DRiFT, or add their own by following the instructions in this document. DRiFT also has several diagnostic and detector physics features relevant to neutron gas detector simulations including: gas detector wall effects, inactive areas at the end of detector tubes, and effects of a preamplifier. We acknowledge that DRiFT is under active development, bug reports and general questions and comments should be directed to Madison Andrews, madison@lanl.gov. This manual is divided into four parts: I) An overview of DRiFT, including how to obtain and install the executable, II) A description of the detector physics related to scintillators available, III) a description of more general DRiFT features the user may find useful, and IV) a description of the test suite and examples made available with the code release.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Report Series: Evaluation, Finding of Effect, and Mitigation Documentation for the Main Gate (23-GS100), Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE) National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to replace the existing guard shack at the Main Gate (23-GS100, Nevada State Historic Preservation Office [SHPO] Resource No. S1758) to the Nevada National Security Site (NNSS) in Nye County, Nevada. The purpose of the project is to improve security. The project is considered an undertaking subject to review under Title 54 of United States Code (USC) § 306108, commonly known as Section 106 of the National Historic Preservation Act, Title 54 USC § 300101, et seq., and its implementing regulations, Title 36 of the Code of Federal Regulations (36 CFR) Part 800. In 2018, Desert Research Institute (DRI) completed an architectural survey of the town of Mercury. This effort resulted in the identification, recordation, and evaluation of the Mercury Historic District (MHD, SHPO Resource No. D230), including the identification of its contributing elements (Reno et al. 2018). The MHD was recommended eligible for listing in the National Register of Historic Places (NRHP, National Register) under the Secretary of the Interior’s (SOI) Significance Criteria A and C, as defined in 36 CFR Part 60.4, as a significant concentration of buildings and structures with a direct and important association with Cold War-era nuclear testing from 1951 through 1992. It has not been evaluated under Criteria B and D to date. As part of a larger modernization program for Mercury, the NNSA/NFO and the SHPO executed the 2018 Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (Mercury PA). The Mercury PA includes streamlined Section 106 procedures for undertakings in the MHD based on contributing element categories. The Main Gate is identified in Appendix C of the Mercury PA as a Category I contributing element, indicating that it might be individually eligible for the NRHP. It is a historic property for the purposes of Section 106 compliance and subject to the stipulations of the Mercury PA. Per Stipulation VI of the Mercury PA, when the Area of Potential Effect (APE) for an undertaking includes Category I elements, the NNSA/NFO must evaluate the Category I elements for individual NRHP eligibility under all of the SOI Significance Criteria, prior to initiating any activity that may affect the elements. Thus, the purpose of this report is to evaluate the Main Gate as a potential individually eligible historic property in fulfillment of Stipulation VI of the Mercury PA. The evaluation detailed herein concludes that the Main Gate is individually eligible for listing in the NRHP under SOI Significance Criterion A at the national level of significance for its direct, important association with Cold War-era nuclear testing from 1965 (the date the current Main Gate was constructed) through 1992 (when critical nuclear testing on the NNSS ceased).

23-GS100↗

Stream Temperature Responses to Summer Urban Rain Events Along the Savannah River

The hydrological urban heat island (HUHI) is a recent facet of the urban heat island (UHI), describing thermal enhancement of bodies of water in response to urbanization. Although the forefront of this work has been studied for large Metropolitan areas, this effect on developing cities is currently unknown. To locally measure and quantify HUHI effects in a developing city, we utilized Multi-Radar Multi Sensor (MRMS) radar-derived rainfall data to estimate rainfall in the Augusta Metropolitan Area (AMA) and the Savannah Metropolitan Area (SMA), two developing communities adjacent to the Savannah River. We analyzed mean temperature trends of two stream gauges measuring temperature at, and downstream of the central AMA and the SMA. Results show overall peak stream temperatures within AMA are reached within a 2hr timeframe with surge temperatures between 1-2 K, perhaps assisted by the presence of the Augusta Shoals further upstream. The SMA appears to have little HUHI effects due to urban greening and impacts to coastal meteorology. It is suggested that Moderate rainfall events (10-25mm of rainfall) have a significant correlation (~0.1 correlation coefficient with a significance level of 0.05) between stream temperature and rainfall, indicating potential warmer runoff input into the Savannah River. Although results seem promising, further research into moderate rainfall events are needed to determine the extent of the HUHI for AMA.

Wermter, Joseph E. [Savannah River National Labora↗

Ionization of Free and Confined Atoms and Ions (Final Technical Report)

Over the almost 22-year duration of this theoretical research project, a great deal of progress has been made in the understanding of the ionization of free and confined atomic and molecular systems along with a recent particular emphasis upon studies of the ultrafast time-delay phenomenon in the photoemission process. Our methods have emphasized the role of many-body interactions and relativistic effects in the various processes we have studied. The advances that we have made over the course of this project have been in the areas nondipole effects in the photoionization process, inner-shell photoemission from negative atomic ions, excited state photoionization of neutral atoms and positive atomic ions, Cooper minima in quadrupole photoionization, relativistic interaction in the photoionization of atoms and negative atomic ions, photoionization of the fullerene molecule C 60 along with the photoionization of atomic and molecular systems confined in the C 60 molecule, confinement resonances in endohedral atom photoemission, interchannel coupling effects in photoionization, Wigner time delay in free and confined atoms and ions, angular effects in Wigner time delay in atomic photoionization, photoionization of superheavy atoms and the influence of core relaxation on the photoionization of atomic systems, among others. In the course of this project, we have had extensive collaboration with experimentalists where we have explained the physics of numerous measurements and pointed the way to new laboratory investigations with our calculations. We have also collaborated with a number of theorists as well. Thus, owing to these many collaborations with scientists not funded by DOE, we have leveraged the DOE support rather considerably. To illustrate the depth and breadth of the theoretical investigations, listed below are the 138 refereed and invited publications that cite DOE support. These publications detail the many contributions made over the period of this project.

74 ATOMIC AND MOLECULAR PHYSICS↗