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NASA NTRS1997

Large Scale Turbulent Structures in Supersonic Jets

Jet noise is a major concern in the design of commercial aircraft. Studies by various researchers suggest that aerodynamic noise is a major contributor to jet noise. Some of these studies indicate that most of the aerodynamic jet noise due to turbulent mixing occurs when there is a rapid variation in turbulent structure, i.e. rapidly growing or decaying vortices. The objective of this research was to simulate a compressible round jet to study the non-linear evolution of vortices and the resulting acoustic radiations. In particular, to understand the effect of turbulence structure on the noise. An ideal technique to study this problem is Direct Numerical Simulations(DNS), because it provides precise control on the initial and boundary conditions that lead to the turbulent structures studied. It also provides complete 3-dimensional time dependent data. Since the dynamics of a temporally evolving jet are not greatly different from those, of a spatially evolving jet, a temporal jet problem was solved, using periodicity ill the direction of the jet axis. This enables the application of Fourier spectral methods in the streamwise direction. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. The DNS jet simulation helps us understand the various turbulent scales and mechanisms of turbulence generation in the evolution of a compressible round jet. These accurate flow solutions will be used in future research to estimate near-field acoustic radiation by computing the total outward flux across a surface and determine how it is related to the evolution of the turbulent solutions. Furthermore, these simulations allow us to investigate the sensitivity of acoustic radiations to inlet/boundary conditions, with possible application to active noise suppression. In addition, the data generated can be used to compute various turbulence quantities such as mean velocities, turbulent stresses, etc. which will aid in turbulence modeling. This report will be presented in two chapters. The first chapter describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. The second chapter is an extensive discussion of numerical work using the spectral method which we use to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which can be solved in O(N) steps. This is a modification of a boundary layer code developed by Robert Moser. A very accurate highly resolved Direct Numerical Simulation (DNS) of a turbulent jet flow is produced.

Rao, Ram Mohan↗
NASA NTRS1997

Large Scale Turbulent Structures in Supersonic Jets

Jet noise is a major concern in the design of commercial aircraft. Studies by various researchers suggest that aerodynamic noise is a major contributor to jet noise. Some of these studies indicate that most of the aerodynamic jet noise due to turbulent mixing occurs when there is a rapid variation in turbulent structure, i.e. rapidly growing or decaying vortices. The objective of this research was to simulate a compressible round jet to study the non-linear evolution of vortices and the resulting acoustic radiations. In particular, to understand the effect of turbulence structure on the noise. An ideal technique to study this problem is Direct Numerical Simulations (DNS), because it provides precise control on the initial and boundary conditions that lead to the turbulent structures studied. It also provides complete 3-dimensional time dependent data. Since the dynamics of a temporally evolving jet are not greatly different from those of a spatially evolving jet, a temporal jet problem was solved, using periodicity in the direction of the jet axis. This enables the application of Fourier spectral methods in the streamwise direction. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. The DNS jet simulation helps us understand the various turbulent scales and mechanisms of turbulence generation in the evolution of a compressible round jet. These accurate flow solutions will be used in future research to estimate near-field acoustic radiation by computing the total outward flux across a surface and determine how it is related to the evolution of the turbulent solutions. Furthermore, these simulations allow us to investigate the sensitivity of acoustic radiations to inlet/boundary conditions, with possible appli(,a- tion to active noise suppression. In addition, the data generated can be used to compute, various turbulence quantities such as mean velocities, turbulent stresses, etc. which will aid in turbulence modeling. This report will be presented in two chapters. The first chapter describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. The second chapter is an extensive discussion of numerical work using the spectral method which we use to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which can be solved in O(N) steps. This is a modification of a boundary layer code developed by Robert Moser. A very accurate highly resolved DNS of a turbulent jet flow is produced.

Rao, Ram Mohan↗
DOE OSTI2020

Feedback on Forty-year Long Clean-up Operations of a Contaminated Soil for Environmental Purpose - 20026

One of the CEA facilities in France is the place of miscellaneous mapping and clean-up operations since the 1980's. The final purpose of the conducted work deals with the environmental remediation of the building. In France, the absence of a regulatory framework for the management of sites polluted by radioactive substances, especially as the lack of release thresholds, has led to develop different approaches of soil radiological characterization. The geostatistical approach is part of them. Preliminary investigations are an unavoidable step prior to clearance and remediation. First, historical analysis enables to define site perimeters to investigate as well as to precisely locate expected contaminated parts. For radioactive pollutants, the media (water, soil, air) and transfer routes participate in the definition of the investigation perimeter and thus also need to be identified through a geological study. At the same time, functional analysis leads to choose the best measurement means which could provide useful information when combined with visual inspection. An equipment well adapted to easy-to-measure radionuclides as gamma emitters, such as gamma probe or on-site gamma spectrometry, is usually selected as a non-destructive assay. Coupled with spatial positions, processed on-site radiological data can be mapped. Data processing consists in mapping and kriging before a geostatistical analysis in order to identify the zones of interest to be targeted. Selected zones are not only linked to high level count rates but also to low level ones so that a pollution-free reference is known in the area. This data processing also enables to categorize waste types according to their origin and contamination levels. An expected volume of different waste then follows as well as the waste characterization equipments. In-depth investigations, e.g. core drillings and samplings, naturally ensue to aim at remediation optimization through the assessment of environmental impact. After clean-up operations, non-destructive assays as well as destructive samplings enable to check the effective clearance. Following this methodology in the present remediation work, results of the first non-destructive assay campaign highlighted a long-lived transuranic radionuclides contamination in the concrete flagstone. Successive non-destructive assays were then performed in the defined zones of interest. Count rates measured with a surface probe were first mapped. The best localization of destructive assays, i.e. core drillings at a 1 meter depth, came from this surface mapping followed by a geostatistical analysis. The concrete flagstone was totally removed. Then, the depth of soil to remove under the flagstone was optimized from the results of radiological activities measured in core drillings samples. A new surface mapping was then drawn after this partial soil excavation. The sand and demolition rubble samples, homogeneously constituted from the flagstone fragments, were analyzed by gamma spectrometry. Meanwhile, waste drums and other containers were also measured by gamma spectrometry and passive neutron measurement devices. All these results have brought miscellaneous pieces of information. In this context, major issues appear in terms of physical constraints such as the premises tininess as well as of soil sampling techniques and in terms of measurement performances assessment and the representativeness of homogeneous samples. The choice of radiological soil and waste characterization devices is described in the light of enhanced performances by keeping in mind radiation protection requirements and a willing to always optimize waste categories (very low level waste) and volume. The improvement of the characterization methods appears through this forty-year long work while sharing the feedback of encountered difficulties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2010

Diamond Heat-Spreader for Submillimeter-Wave Frequency Multipliers

The planar GaAs Shottky diode frequency multiplier is a critical technology for the local oscillator (LO) for submillimeter- wave heterodyne receivers due to low mass, tenability, long lifetime, and room-temperature operation. The use of a W-band (75-100 GHz) power amplifier followed by a frequency multiplier is the most common for submillimeter-wave sources. Its greatest challenge is to provide enough input power to the LO for instruments onboard future planetary missions. Recently, JPL produced 800 mW at 92.5 GHz by combining four MMICs in parallel in a balanced configuration. As more power at W-band is available to the multipliers, their power-handling capability be comes more important. High operating temperatures can lead to degradation of conversion efficiency or catastrophic failure. The goal of this innovation is to reduce the thermal resistance by attaching diamond film as a heat-spreader on the backside of multipliers to improve their power-handling capability. Polycrystalline diamond is deposited by hot-filament chemical vapor deposition (CVD). This diamond film acts as a heat-spreader to both the existing 250- and 300-GHz triplers, and has a high thermal conductivity (1,000-1,200 W/mK). It is approximately 2.5 times greater than copper (401 W/mK) and 20 times greater than GaAs (46 W/mK). It is an electrical insulator (resistivity approx. equals 10(exp 15) Ohms-cm), and has a low relative dielectric constant of 5.7. Diamond heat-spreaders reduce by at least 200 C at 250 mW of input power, compared to the tripler without diamond, according to thermal simulation. This superior thermal management provides a 100-percent increase in power-handling capability. For example, with this innovation, 40-mW output power has been achieved from a 250-GHz tripler at 350-mW input power, while the previous triplers, without diamond, suffered catastrophic failures. This breakthrough provides a stepping-stone for frequency multipliers-based LO up to 3 THz. The future work for this design is to apply the high output power from both the 250 and 300 GHz to multiple chains in order to generate milliwatts at 2.3 THz. Using the first generation of results for this innovation, 40 mW of output power were produced from a 240-GHz tripler at 350-mW input power, and 27- mW output power was produced from a 300-GHz tripler at 408-mW input power. This is two times higher than the current state-of-the-art output power capability. A finite-element thermal simulation also shows that 30-microns thick diamond dropped the temperature of the anodes by at least 200 C.

Lin, Robert H.↗
NASA NTRS2016

The IOAG Recommendations on Spacecraft Emergency Cross Support

In 2014, the Inter-agency Operations Advisory Group (IOAG) chartered a multi-agency team effort to study how to best handle spacecraft emergency as part of cross support among network assets. The original intent is to put in place for the first time a process and guidelines to make emergency support as part of a permanent cross-support capability between space agencies. From the perspective of space communications service providers, a few key issues, common to all agencies, concerning the Spacecraft Emergency Cross Support (SECS) have been explored. They are: context of emergency support, provision of emergency support under a cross-support agreement, provision of emergency support with no cross-support agreement, legal and liability issues, response time, support priority, services provided, sustaining emergency support capabilities, and charge for the support. The positions of the various participating agencies with respect to these issues have been collected, analyzed, and finally harmonized to form the recommended IOAG positions. A central challenge most communications service providers are facing is that since the spacecraft emergency is an unplanned critical event, it typically requires fast response to the emergency call, hence lacking an international standard process for the operational interfaces seems to exacerbate the difficulty in providing SECS. For reducing the response time, i.e. from the time of accepting a request for SECS to the readiness for support, it is recommended that a “cross-support emergency system” be established by IOAG member agencies. Along with it, the IOAG core services, just-in-time ground communications line, cross support service management (CSSM), and standard operations procedures (SOP) for operational interfaces form the basic foundation of the “cross support emergency system”. Of the above, new to the cross support conducted thus far in the IOAG community is the concept of the SOP specifically for the interfaces between the service provider and service user during the SECS. Use cases, salient features, and definition of the key operational activities/tasks relevant to the interfaces are addressed by the effort. Underpinning such a system is the availability of the RF license granted by the local authority, at national and/or regional level, for a given ground station to communicate with and track the spacecraft in emergency mode at the uplink and downlink frequencies assigned to that spacecraft. That means it is critical for the IOAG member agencies to obtain a priori all-band licenses (for the entire X-band or S-band) for some, if not all, of their ground stations that are most capable of or likely to provide SECS. It is also recommended that certain prior arrangements be made with the relevant local licensing authorities for a process that will allow expedited authorization to transmit/receive signals to/from the declared spacecraft over the declared ground stations specifically and solely for the emergency case. Our analysis of the SECS has also uncovered a few fundamental programmatic issues. Recognizing any IOAG positions reached on these issues do not necessarily lead to any binding authority, it is recommended that they, along with those key attributes of the cross support emergency system, be explicitly stated as multi-agency guidelines to guide the implementation and provision of the SECS. The paper will present the results of the working group on Spacecraft Emergency Cross Support and, in particular, its findings, products and recommendations. It will also identify the next steps of this work that may include the production of some international standards as an extension of this work, or the process to make this emergency system usable by other spacecraft operators beyond the space agencies.

Tai, Wallace S.↗
NASA NTRS2016

The IOAG Recommendations on Spacecraft Emergency Cross Support

In 2014, the Inter-agency Operations Advisory Group (IOAG) chartered a multi-agency team effort to study how to best handle spacecraft emergency as part of cross support among network assets. The original intent is to put in place for the first time a process and guidelines to make emergency support as part of a permanent cross-support capability between space agencies. From the perspective of space communications service providers, a few key issues, common to all agencies, concerning the Spacecraft Emergency Cross Support (SECS) have been explored. They are: context of emergency support, provision of emergency support under a cross-support agreement, provision of emergency support with no cross-support agreement, legal and liability issues, response time, support priority, services provided, sustaining emergency support capabilities, and charge for the support. The positions of the various participating agencies with respect to these issues have been collected, analyzed, and finally harmonized to form the recommended IOAG positions. A central challenge most communications service providers are facing is that since the spacecraft emergency is an unplanned critical event, it typically requires fast response to the emergency call, hence lacking an international standard process for the operational interfaces seems to exacerbate the difficulty in providing SECS. For reducing the response time, i.e. from the time of accepting a request for SECS to the readiness for support, it is recommended that a “cross-support emergency system” be established by IOAG member agencies. Along with it, the IOAG core services, just-in-time ground communications line, cross support service management (CSSM), and standard operations procedures (SOP) for operational interfaces form the basic foundation of the “cross support emergency system”. Of the above, new to the cross support conducted thus far in the IOAG community is the concept of the SOP specifically for the interfaces between the service provider and service user during the SECS. Use cases, salient features, and definition of the key operational activities/tasks relevant to the interfaces are addressed by the effort. Underpinning such a system is the availability of the RF license granted by the local authority, at national and/or regional level, for a given ground station to communicate with and track the spacecraft in emergency mode at the uplink and downlink frequencies assigned to that spacecraft. That means it is critical for the IOAG member agencies to obtain a priori all-band licenses (for the entire X-band or S-band) for some, if not all, of their ground stations that are most capable of or likely to provide SECS. It is also recommended that certain prior arrangements be made with the relevant local licensing authorities for a process that will allow expedited authorization to transmit/receive signals to/from the declared spacecraft over the declared ground stations specifically and solely for the emergency case. Our analysis of the SECS has also uncovered a few fundamental programmatic issues. Recognizing any IOAG positions reached on these issues do not necessarily lead to any binding authority, it is recommended that they, along with those key attributes of the cross support emergency system, be explicitly stated as multi-agency guidelines to guide the implementation and provision of the SECS. The paper will present the results of the working group on Spacecraft Emergency Cross Support and, in particular, its findings, products and recommendations. It will also identify the next steps of this work that may include the production of some international standards as an extension of this work, or the process to make this emergency system usable by other spacecraft operators beyond the space agencies.

Tai, Wallace S.↗
NASA NTRSDate not supplied

NASA Aeronautics Sustainable Aviation Overview

We live in challenging but exciting times for aviation as the sector continues to emerge from the unprecedented impact of a global pandemic while addressing its contribution to global warming. This perfect storm provides opportunity and the drivers that can lead to the most substantial changes the aviation sector has seen since the convergence of jet engines and swept wings over 60 years ago. The reality is we are entering the dawn of a new era of sustainable aviation full of opportunities and challenges that must economically address the health and transportation needs of society with unprecedentedly low impact on local, regional, and global environments. Today, commercial aviation physically connects countries across the globe and is an integral, critical part of today’s expanding global economy. Commercial aviation relies almost entirely on subsonic transport aircraft to constantly move people and goods from one place to another across the globe. While an effective means of transportation providing an unmatched combination of payload, speed, and range, future subsonic aircraft must continue to improve to meet efficiency, environmental, and economic goals established around the world to sustain the substantial growth projected in this well-established market. Commercial supersonic transports have come and gone in the global market, but they are on the verge of reemerging. Vertical lift vehicles leveraging breakthroughs in autonomous systems and electrified propulsion are positioned for massive growth in local and regional markets leading to daily flights within metropolitan areas that may exceed that across countries. To succeed, these new aircraft must be sustainable from day 1. NASA Aeronautics has a long history of contributions to aviation, and today it continues to address the challenge of sustainable growth of the traditional air transportation system through the research and development of systems and technologies for future aircraft and airspace operations. Research programs over the last decade have set the stage to demonstrate key technologies offering step-change performance and environmental impact. Through a Sustainable Flight National Partnership, NASA will partner with industry, academia, and other government agencies to demonstrate the most promising technologies during the 2020s to enable revolutionary systems in the early 2030s. In parallel, NASA will explore systems and technologies for further benefits approaching zero environmental impact beyond the 2030s. Similarly, NASA programs are addressing the challenges of emerging markets enabled by vertical take-off/landing and low-boom supersonic cruise. This oral-only presentation will focus on opportunities and challenges in the traditional subsonic transport while touching on emerging vertical lift and supersonic commercial aviation markets. NASA’s recent contributions, ongoing research, and plans for sustainable aviation will be discussed, including airframe, propulsion, and integrated vehicle systems and technologies.

James A. Kenyon↗
DOE OSTI2020

Foundations of an Electric Mobility Strategy for the City of Mexicali

The Foundations of an Electric Mobility Strategy for the city of Mexicali aligns with numerous energy, environmental, and transport plans and will help Mexicali meet multiple related goals. Mexicali’s energy mix, with 28% renewables, already enables plugin electric vehicles (PEVs) to reduce the mass of greenhouse gases (GHGs) per km driven 2/3 below that of their conventional counterparts. This GHG benefit will increase should Mexicali take steps to further increase their share of renewables in their electricity supply. Beyond increasing renewables, Mexicali could possibly deploy PEVs so that electric load is added in the right location (depending on further analysis of substations and feeders) and at the right time (between 21:00 and 11:00) in order to minimize grid upgrade costs. There are a handful of charge timing control mechanisms –at various stages of development– that Mexicali could implement. Transport electrification can facilitate mass transit by powering buses, trains, and small vehicles that get people from their homes or work to the transit stations and vice versa. Mexicali could utilize fleets as early PEV adopters in order to gain acceptance and add electric vehicle supply equipment (EVSE). Recommended prioritization of different types of fleets are suggested in this report: transit buses, school buses, airport ground support equipment (GSE), refuse trucks, taxis, shuttle buses, campus vehicles, delivery trucks, utility trucks, and finally semitrailers. There are a handful of policy options that Mexicali could use to incentivize fleets to purchase PEVs, including mandates, economic incentives, energy performance contracts, waivers to access restrictions, electricity discounts, and EVSE requirements in building codes. Mexicali’s taxi fleet was an early adopter of PEVs and had experienced some challenges—mostly related to the insufficient range of the taxis due to hot weather. In this report, we strategize ways to extend the range of the current electric taxis, including ways to make charging more convenient to the drivers, and more suggestions for appropriate vehicles to purchase in the future. This report also includes the groundwork of geotracking Mexicali’s taxi fleet so that more detailed recommendations can be made in the future. Once fleets have increased PEV acceptance and EVSE installations, the market will be ready to expand to private vehicle owners. In order to do this, more EVSE needs to be installed in the right locations. This mobility strategy lays out general local areas where EVSE could be well utilized, based on traffic patterns, land use, and demographic data. Mexicali could approach businesses within these areas that would likely make suitable hosts, based on how well they can profit from the additional business that EVSE would bring. Mexicali could then adopt a series of purchase incentives (including sales tax waivers or access to high-occupancy vehicles [HOV] lanes) that would encourage private vehicle owners to purchase PEVs. Purchase incentives run the risk of creating equity issues, which can be countered by promoting electrification in mass transit, creating more HOV lanes that have PEV exemptions, and installing EVSEs in underserved communities. Private PEV ownership will require a set of experts that Mexicali can help train, including PEV repair technicians, EVSE installation electricians, and first responders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2011

Differential Processing of Low and High LET Radiation Induced DNA Damage: Investigation of Switch from ATM to ATR Signaling

The members of the phosphatidylinositol kinase-like kinase family of proteins namely ataxia-telangiectasia mutated (ATM) and ATM- and Rad3-related (ATR) are directly responsible for the maintenance of genomic integrity by mounting DDR through signaling and facilitating the recruitment of repair factors at the sites of DNA damage along with coordinating the deployment of cell cycle checkpoints to permit repair by phosphorylating Checkpoint kinase Chk1, Chk2 and p53. High LET radiation from GCR (Galactic Cosmic Rays) consisting mainly of protons and high energy and charged (HZE) particles from SPE (Solar Particle Event) pose a major health risk for astronauts on their space flight missions. The determination of these risks and the design of potential safeguards require sound knowledge of the biological consequences of lesion induction and the capability of the cells to counter them. We here strive to determine the coordination of ATM and ATR kinases at the break sites directly affecting checkpoint signaling and DNA repair and whether differential processing of breaks induced by low and high LET radiation leads to possible augmentation of swap of these damage sensors at the sites of DNA damage. Exposure of cells to IR triggers rapid autophosphorylation of serine-1981 that causes dimer dissociation and initiates monomer formation of ATM. ATM kinase activity depends on the disruption of the dimer, which allows access and phosphorylation of downstream ATM substrates like Chk2. Evidence suggests that ATM is activated by the alterations in higher-order chromatin structure although direct binding of ATM to DSB ends may be a crucial step in its activation. On the other hand, in case of ATR, RPA (replication protein A)-coated ssDNA (single-stranded DNA) generated as a result of stalled DNA replication or during processing of chromosomal lesions is crucial for the localization of ATR to sites of DNA damage in association with ATR-interacting protein (ATRIP). Although the majority of RPA-coated ssDNA is generally present only during DNA replication, ATR activation in G1 and G2-phase might still require formation of RPA-coated ssDNA, probably initiated by the MRN-CtIP complex and then extended by the Exo1- or BLM-dependent mechanisms at the sites of DSBs. Evidence accumulates that activation of ATM and ATR are oppositely regulated by the length of single stranded overhangs generated at the break sites by processes mentioned above and these stretches of single stranded overhangs hold the clue for ATM to ATR switch at broken DNA ends. We irradiated 82-6hTERT human fibroblast cells with low LET gamma-rays and high LET Fe and Si particles. Preliminary results with cells exposed to 1Gy gamma-rays show that the kinetics of pChk2-pT68 foci formation is comparable to that of gamma-H2AX although they appear to recede quicker. The number and intensity of observed foci reaches a maximum at 30 min and 60 min post IR for Chk2-pT68 and gamma-H2AX foci respectively and all Chk2-pT68 foci colocalize with gamma-H2AX foci. The kinetics of Chk1-pS345 and ATRIP are being determined. Results of Chk2-pT68 foci kinetics was also corroborated by western blot experiments, although phosphorylation was detected as early as 10 min and started receding 30 min post IR with 2Gy of gamma-rays. On the other hand, level of ATR-pS428 reached its maximum between 60 and 120 min and was maintained until the last measured time point of 4 hours post IR as determined by western blotting. Experiments performed with high LET Fe and Si particles will be reported.

Saha, Janapriya↗
NASA NTRS2018

An IR Sounding-Based Analysis of the Saharan Air Layer in North Africa

Intense daytime surface heating over barren-to-sparsely vegetated surfaces results in dry convective mixing. In the absence of external forcing such as mountain waves, the dry convection can produce a deep, well-mixed, nearly isentropic boundary layer that becomes a well-mixed residual layer in the evening. These well-mixed layers (WML) retain their unique mid-tropospheric thermal and humidity structure for several days. To detect the SAL and characterize its properties, AIRS Level 2 Ver. 6 temperature and humidity products (2003-Present) are evaluated against rawinsondes and compared to model analysis at each of the 55 rawinsonde stations in northern Africa. To distinguish WML from Saharan air layers (WMLs of Saharan origin), the detection involved a two-step process: 1) algorithm-based detection of WMLs in dry environments (less than 7 g per kilogram mixing ratio) 2) identification of Sahara air layers (SAL) by applying Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) back trajectories to determine the history of each WML. WML occurrence rates from AIRS closely resemble that from rawinsondes, yet rates from model analysis were up to 30% higher than observations in the Sahara due to model errors. Despite the overly frequent occurrence of WMLs from model analysis, HYSPLIT trajectory analysis showed that SAL occurrence rates (given a WML exists) from rawinsondes, AIRS, and model analysis were nearly identical. Although the number of WMLs varied among the data sources, the proportion of WMLs which were classified as SAL was nearly the same. The analysis of SAL bulk properties showed that AIRS and model analysis exhibited a slight warm and moist bias relative to rawinsondes in non-Saharan locations, but model analysis was notably warmer than rawinsondes and AIRS within the Sahara. The latter result is likely associated with the dearth of available data assimilated by model analysis in the Sahara. The variability of SAL thicknesses was reasonably captured by both AIRS and model analysis, but the former favor layers than are thinner than observations. Finally, further analysis of HYSPLIT trajectories revealed that fewer than 10% and 33% of all SAL back trajectories passed through regions with notable precipitation (>100 mm accumulated along the trajectory path) or Aerosol Optical Depth (AOD greater than 0.4, 75th percentile of AOD) on average, respectively. Trajectory analysis indicated that only 57% of Saharan and 24% of non-Saharan WMLs are definitively of Saharan origin (Saharan requirement: Two consecutive days in Sahara and 24 or more of those hours within 72 hours of detection). Non-SAL WMLs either originate from local-to-regionally generated residual layers or from mid-latitude air streams that do not linger over the Sahara for a sufficient time period. Initial analysis shows these non-SAL WMLs tend to be both notably cooler and slightly moister than their SAL counter parts. Continuing analysis will address what role Saharan and non-Saharan air masses characteristics may play on local and regional environmental conditions.

Nicholls, Stephen D.↗
NASA NTRS1994

Steps toward determination of the size and structure of the broad-line region in active galactic nuclei. 5: Variability of the ultraviolet continuum and emission lines of NGC 3783

We report on the results of intensive ultraviolet spectral monitoring of the Seyfert 1 galaxy NGC 3783. The nucleus of NGC 3783 was observed with the International Ultraviolet Explorer satellite on a regular basis for a total of 7 months, once every 4 days for the first 172 days and once every other day for the final 50 days. Significant variability was observed in both continuum and emission-line fluxes. The light curves for the continuum fluxes exhibited two well-defined local minima or 'dips,' the first lasting is less than or approximately 20 days and the second is less than or approximately 4 days, with additional episodes of relatively rapid flickering of approximately the same amplitude. As in the case of NGC 5548 (the only other Seyfert galaxy that has been the subject of such an intensive, sustained monitoring effort), the largest continuum variations were seen at the shortest wavelengths, so that the continuum became 'harder' when brighter. The variations in the continuum occurred simultaneously at all wavelengths (delta(t) is less than 2 days). Generally, the amplitude of variability of the emission lines was lower than (or comparable to) that of the continuum. Apart from Mg II (which varied little) and N V (which is relatively weak and badly blended with Ly(alpha), the light curves of the emission lines are very similar to the continuum light curves, in each case with a small systematic delay or 'lag.' As for NGC 5548, the highest ionization lines seem to respond with shorter lags than the lower ionization lines. The lags found for NGC 3783 are considerably shorter than those obtained for NGC 5548, with values of (formally) approximately 0 days for He II + O III), and approximately 4 days for Ly(alpha) and C IV. The data further suggest lags of approximately 4 days for Si IV + O IV) and 8-30 days for Si III + C III). Mg II lagged the 1460 A continuum by approximately 9 days, although this result depends on the method of measuring the line flux and may in fact be due to variability of the underlying Fe II lines. Correlation analysis further shows that the power density spectrum contains substantial unresolved power over timescales of is less than or approximately 2 days, and that the character of the continuum variability may change with time.

Reichert, G. A.↗
DOE OSTI2024

The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems

The effective fragment molecular orbital (EFMO) method has been developed to predict the total energy of a very large molecular system accurately (with respect to the underlying quantum mechanical method) and efficiently by taking advantage of the locality of strong chemical interactions and employing a two-level hierarchical parallelism. The accuracy of the EFMO method is partly attributed to the accurate and robust intermolecular interaction prediction between distant fragments, in particular, the many-body polarization and dispersion effects, which require the generation of static and dynamic polarizability tensors by solving the coupled perturbed Hartree–Fock (CPHF) and time-dependent HF (TDHF) equations, respectively. Solving the CPHF and TDHF equations is the main EFMO computational bottleneck due to the inefficient (serial) and I/O-intensive implementation of the CPHF and TDHF solvers. In this work, the efficiency and scalability of the EFMO method are significantly improved with a new CPU memory-based implementation for solving the CPHF and TDHF equations that are parallelized by either message passing interface (MPI) or hybrid MPI/OpenMP. Here, the accuracy of the EFMO method is demonstrated for both covalently bonded systems and noncovalently bound molecular clusters by systematically examining the effects of basis sets and a key distance-related cutoff parameter, R cut . R cut determines whether a fragment pair (dimer) is treated by the chosen ab initio method or calculated using the effective fragment potential (EFP) method (separated dimers). Decreasing the value of Rcut increases the number of separated (EFP) dimers, thereby decreasing the computational effort. It is demonstrated that excellent accuracy (<1 kcal/mol error per fragment) can be achieved when using a sufficiently large basis set with diffuse functions coupled with a small R cut value. With the new parallel implementation, the total EFMO wall time is substantially reduced, especially with a high number of MPI ranks. Given a sufficient workload, nearly ideal strong scaling is achieved for the CPHF and TDHF parts of the calculation. For the first time, EFMO calculations with the inclusion of long-range polarization and dispersion interactions on a hydrated mesoporous silica nanoparticle with explicit water solvent molecules (more than 15k atoms) are achieved on a massively parallel supercomputer using nearly 1000 physical nodes. In addition, EFMO calculations on the carbinolamine formation step of an amine-catalyzed aldol reaction at the nanoscale with explicit solvent effects are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

The Discharging of Roving Objects in the Lunar Polar Regions

In 2007, the National Academy of Sciences identified the lunar polar regions as special environments: very cold locations where resources can be trapped and accumulated. These accumulated resources not only provide a natural reservoir for human explorers, but their very presence may provide a history of lunar impact events and possibly an indication of ongoing surface reactive chemistry. The recent LCROSS impacts confirm that polar crater floors are rich in material including approx 5%wt of water. An integral part of the special lunar polar environment is the solar wind plasma. Solar wind protons and electrons propagate outward from the Sun, and at the Moon's position have a nominal density of 5 el/cubic cm, flow speed of 400 km/sec, and temperature of 10 eV (approx. equal 116000K). At the sub-solar point, the flow of this plasma is effectively vertically incident at the surface. However, at the poles and along the lunar terminator region, the flow is effectively horizontal over the surface. As recently described, in these regions, local topography has a significant effect on the solar wind flow. Specifically, as the solar wind passes over topographic features like polar mountains and craters, the plasma flow is obstructed and creates a distinct plasma void in the downstream region behind the obstacle. An ion sonic wake structure forms behind the obstacle, not unlike that which forms behind a space shuttle. In the downstream region where flow is obstructed, the faster moving solar wind electrons move into the void region ahead of the more massive ions, thereby creating an ambipolar electric field pointing into the void region. This electric field then deflects ion trajectories into the void region by acting as a vertical inward force that draws ions to the surface. This solar wind 'orographic' effect is somewhat analogous to that occurring with terrestrial mountains. However, in the solar wind, the ambipolar E-field operating in the collision less plasma replaces the gradient in pressure that would act in a collisional neutral gas. Human systems (roving astronauts or robotic systems created by humans) may be required to gain access to the crater floor to collect resources such as water and other cold-trapped material. However, these human systems are also exposed to the above-described harsh thermal and electrical environments in the region. Thus, the objective of this work is to determine the nature of charging and discharging for a roving object in the cold, plasma-starved lunar polar regions. To accomplish this objective, we first define the electrical charging environment within polar craters. We then describe the subsequent charging of a moving object near and within such craters. We apply a model of an astronaut moving in periodic steps/cadence over a surface regolith. In fact the astronaut can be considered an analog for any kind of moving human system. An astronaut stepping over the surface accumulates charge via contact electrification (tribocharging) v.lith the lunar regolith. We present a model of this tribo-charge build-up. Given the environmental plasma in the region, we determine herein the dissipation time for the astronaut to bleed off its excess charge into the surrounding plasma.

Jackson, T. L.↗
DOE OSTI2024

Apollo Next Generation Sample Analysis (ANGSA): an Apollo Participating Scientist Program to Prepare the Lunar Sample Community for Artemis

As a first step in preparing for the return of samples from the Moon by the Artemis Program, NASA initiated the Apollo Next Generation Sample Analysis Program (ANGSA). ANGSA was designed to function as a low-cost sample return mission and involved the curation and analysis of samples previously returned by the Apollo 17 mission that remained unopened or stored under unique conditions for 50 years. These samples include the lower portion of a double drive tube previously sealed on the lunar surface, the upper portion of that drive tube that had remained unopened, and a variety of Apollo 17 samples that had remained stored at -27 °C for approximately 50 years. ANGSA constitutes the first preliminary examination phase of a lunar “sample return mission” in over 50 years. It also mimics that same phase of an Artemis surface exploration mission, its design included placing samples within the context of local and regional geology through new orbital observations collected since Apollo and additional new “boots-on-the-ground” observations, data synthesis, and interpretations provided by Apollo 17 astronaut Harrison Schmitt. ANGSA used new curation techniques to prepare, document, and allocate these new lunar samples, developed new tools to open and extract gases from their containers, and applied new analytical instrumentation previously unavailable during the Apollo Program to reveal new information about these samples. Most of the 90 scientists, engineers, and curators involved in this mission were not alive during the Apollo Program, and it had been 30 years since the last Apollo core sample was processed in the Apollo curation facility at NASA JSC. There are many firsts associated with ANGSA that have direct relevance to Artemis. ANGSA is the first to open a core sample previously sealed on the surface of the Moon, the first to extract and analyze lunar gases collected in situ, the first to examine a core that penetrated a lunar landslide deposit, and the first to process pristine Apollo samples in a glovebox at -20 °C. All the ANGSA activities have helped to prepare the Artemis generation for what is to come. The timing of this program, the composition of the team, and the preservation of unopened Apollo samples facilitated this generational handoff from Apollo to Artemis that sets up Artemis and the lunar sample science community for additional successes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Igiugig Site Visit Report

The National Renewable Energy Laboratory (NREL) team conducted a site visit during January 23-25, 2019 with the Igiugig Village Council (IVC) and other stakeholders to assist the community of Igiugig in refining their long-term energy strategy. The agenda included a tour of the village, data collection, presentations, long-term visioning exercises, identification of energy scenarios, and a school presentation. Participants in the site visit activities spanned a range of local, regional, government, and industry participation. There were 24 attendees at the all-day community workshop on Thursday, January 24th, with participants from the IVC, NREL, Bristol Bay Native Association (BBNA), Bristol Bay Native Corporation (BBNC), Lake and Peninsula Borough, Alaska Energy Authority, Intergrid, ORPC, Deer Stone Consulting, the Southwest Alaska Municipal Conference, and University of Alaska Fairbanks - Alaska Center for Energy and Power. Igiugig is a well-organized rural Alaskan community, with a leadership team that appears to have broad community support. The use of consensus-based decision making is one tangible example of how the leadership team actively invokes and promotes community-focused thinking. The NREL team observed anecdotal evidence of how this approach seems to be strengthening the community: active participation in the visioning exercise, a student hosted fund-raiser dinner at the school, a clean and organized landfill, and well-maintained roads and buildings. Igiugig has wind, solar, and river hydrokinetic resources readily available within the community. Wind has shown to be a promising resource in the region, and has been integrated into microgrids around the state, but the community has had mixed success with wind technologies: some devices failed quickly and others continue to operate. The economics of solar energy are improving in Alaska, and economical solar projects are being installed around the state. Considering that economic activity in Igiugig peaks during the summer sport fishing season, solar could prove to be a valuable supplement to the electrical system. Igiugig has been a test site for two different river hydrokinetic devices, and they have began a third project to operate ORPC's RivGen device, which is delivering valuable device performance data, operations and maintenance experience, and design refinement information. Already, this device has made over 7-million revolutions, and delivered over 8 MWh of power to the community. Igiugig's river resource is fairly unique because it is available year-round and has the potential to provide reliable base-load power for months at a time. A preliminary investigation of this diverse resource mix suggests that Igiugig could achieve very high levels (70% or more) of annual renewable generation contributions. A critical step in pursuing this path is identifying the mix of energy assets (generation and storage) that best meets the community's budget, needs, and goals. The assets that a community installs early in their grid-modernization initiative can constrain the options that are economical at later stages, which may lead to sub-optimal solutions. This is where technical and economic analysis of potential scenarios (i.e., distinct mixes of energy assets) can be useful in identifying the most promising pathways so that a community can make informed and strategic decisions about the assets they install. These analyses are most accurate and informative when they are based on actual technology performance and cost data. As the RivGen project continues to operate and generate this data, we will be better prepared to evaluate the technology's long-term viability and to identify research areas that would improve it. Igiugig's energy projects are at the cutting edge of two intersecting technology areas: 1) deploying an operational river hydrokinetic turbine, and 2) integrating renewable energy sources to achieve very high percent renewables. If these projects are successful, the lessons learned and technologies developed could be valuable for other microgrids around the world. Igiugig's unique resource mix make it an ideal location for this work, and the community's organizational strength make it an ideal partner in this ground-breaking work. Ongoing support for technical assistance to manage and address technical challenges along the way will maximize the probability of project success.

13 HYDRO ENERGY↗
DOE OSTI2022

Land use-land cover gradient demonstrates the importance of perennial grasslands with intact soils for building soil carbon in the fertile Mollisols of the North Central US

The impact of land use change and agricultural management on the cycling of soil organic carbon (SOC) is not well understood, limiting our ability to manage for, and accurately model, soil carbon changes at both local and regional scales. To address this issue, here we combined long-term soil incubations with acid-hydrolysis and dry combustion to parse total SOC (C t ) into three operationally defined SOC pools (active, slow, and recalcitrant) from 9 long-term sites with varying land uses on current and former tallgrass prairie soil. Land uses represented a gradient of soil disturbance histories including remnant prairie, restored prairie, grazed pasture, annual crop rotations, and continuous maize. Dry combustion was used to estimate total carbon (C t , physical), while acid hydrolysis of both the active (C a ) and slow (C s ) pools was used to estimate a recalcitrant carbon pool (C r , chemical). Non-linear modeling of CO 2 efflux data from the long-term incubations was then used to estimate C a , and the decomposition rates of both C a and C s (k a and k r , biological). The size of the slow pools C s was then defined mathematically as C t- (C a + C r ). Remnant prairie had the highest C t , while cool-season pasture and a 35-y-old restored prairie had higher C t than the other agricultural systems. All agricultural systems, including pasture, had the highest fraction of C t as C r (~50%), whose mean residence time (MRT) in these soils is ≥500 years (Paul et al., 2001a) demonstrating that this fraction persists, while the more labile fractions were lost over the course of a few months (C a ) to a few decades (C s ) as a result of tillage-intensive agriculture. The two- to four-decade MRT time of C s indicated a pool likely to be more responsive to the 20 to 40 years of land-use practices used at some of the sites. The C s pool was largest in the remnant- and 35-y-old prairies indicating significant C accrual and stabilization compared to the agricultural ecosystems. Interestingly, the remnant prairie maintained the highest C a pool as well, demonstrating the strong connection between the quantity of fresh C inputs and the potential for long-term C stabilization and accrual. The accumulation of C in active (≈labile) pools as a first step toward long-term stabilization highlights the tenuous nature of early carbon gains, which can be quickly lost in response to climate change or poor management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

Heterogeneous catalysis is at the heart of chemical industry. Being able to tune and design efficient catalysts for processes of interest is of an utmost importance, and for this, the molecular-level understanding of heterogeneous catalysts is the first step, and indeed a prime focus of the modern catalysis research. For a long time, a single most thermodynamically stable structure of the catalytic interface attained in reaction conditions had been envisioned as the reactive phase. However, some catalytic interfaces continue to undergo structural dynamics in the steady state, triggered by high temperatures, pressures, and binding and changing reagents. Among particularly dynamic interfaces are such widely-used catalysts as crystalline and amorphous surfaced supporting (sub-)nano metallic clusters. Recently, it became clear that this dynamic fluxionality causes the supported clusters to populate many distinct structural and stoichiometric states in catalytic conditions. Hence, the catalytic interface should be viewed as an evolving statistical ensemble of many (not one) structures. As such, every member in the ensemble contributes to the properties of the catalyst differently, and in proportion to its probability to be populated. This new notion flips the established paradigm and calls for new theory, modeling approaches, operando measurements, and updated design strategies. The statistical ensemble nature of surface-supported sub-nano cluster catalysts can be exemplified by oxide-supported and adsorbate-covered Pt, Pd, Cu, CuPd clusters, catalytic toward oxidative and non-oxidative dehydrogenation. They have access to a variety of 3D and quasi-2D shapes. The compositions of their thermal ensembles are dependent on the cluster size, leading to size-specific catalytic activities and the famous “every atom counts” phenomenon. The support and adsorbates affect catalyst structures, and state of the reacting species causes the ensemble to change in every reaction intermediate. The most stable member of the ensemble dominates the thermodynamic properties of the corresponding intermediate, whereas the kinetics can be determined by more active but less populated metastable catalyst states, and that suggests that many earlier studies might have overlooked the actual active sites. Both effects depend on the relative time-scales of catalyst restructuring and reaction dynamics. The catalyst may routinely operate off-equilibrium. Ensemble phenomena lead to surprising exceptions from established rules of catalysis, such as scaling relations, and Arrhenius behavior. Catalyst deactivation is also an ensemble property, and its extent of mitigation can be predicted through the new paradigm. These findings were enabled by advances in theory, such as global optimization and subsequent utilization of multiple local minima, and pathways sampling, as well as operando catalyst characterization. The fact that the per-site and per-species resolution is needed for the description and predicting of catalyst properties gives theory the central role in catalysis research, as most experiments provide ensemble-average information and cannot detect the crucial minority species that may be responsible for the catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

PheniX: A New Vision for the Hard X-ray Sky

We are proposing a mission devoted to high energy X-ray astronomy that is based on a focusing telescope operating in the 1-200 keV energy range but optimized for the hard X-ray range. The main scientific topics concern: Physics of compact objects: The proximity of compact objects provides a unique laboratory to study matter and radiation in extreme conditions of temperature and density in strong gravitational environment. The emission of high energy photons from these objects is far from being understood. The unprecedented sensitivity in the high energy domain will allow a precise determination of the non-thermal processes at work in the vicinity of compact objects. The full 1-200 keV energy coverage will be ideal to disentangle the emission processes produced in the spacetime regions most affected by strong-gravity, as well as the physical links: disk-thermal emission-iron line-comptonisation-reflection-non-thermal emission-jets. Neutron stars-magnetic field-cyclotron lines: Time resolved spectroscopy (and polarimetry) at ultra-high sensitivity of AXP, milliseconds pulsars and magnetars will give new tools to study the role of the synchrotron processes at work in these objects. Cyclotron lines-direct measurement of magnetic filed-equation of state constraints-short bursts-giant flares could all be studied with great details. AGN: The large sensitivity improvement will provide detailed spectral properties of the high energy emission of AGN's. This will give a fresh look to the connection between accretion and jet emission and will provide a new understanding of the physical processes at work. Detection of high-redshift active nuclei in this energy range will allow to introduce an evolutionary aspect to high-energy studies of AGN, probing directly the origin of the Cosmic X-ray Background also in the non-thermal range (> 20 keV). Element formation-Supernovae: The energy resolution achievable for this mission (<0.5 keV) and a large high energy effective area are ideally suited for the 44Ti line study (68 and 78 keV). This radioactive nuclei emission will give an estimate of their quantities and speed in their environment. In addition the study of the spatial structure and spectral emission of SNR will advance our knowledge of the dynamics of supernovae explosions, of particles acceleration mechanisms and how the elements are released in the interstellar medium. Instrumental design: The progress of X-ray focusing optics techniques allows a major step in the instrumental design: the collecting area becomes independent of the detection area. This drastically reduces the instrumental background and will open a new era. The optics will be based on depth-graded multi-layer mirrors in a Wolter I configuration. To obtain a significant effective area in the hundred of keV range a focal length in the 40-50 meters range (attainable with a deployable mast) is needed. In addition such a mission could benefit from recent progress made on mirror coating. We propose to cover the 1-200 keV energy range with a single detector, a double-sided Germanium strip detector operating at 80 K. The main features will be: (a) good energy resolution (.150 keV at 5 keV and <.5 keV at 100 keV), (b) 3 dimensional event localization with a low number of electronic chains, (c) background rejection by the 3D localization, (d) polarisation capabilities in the Compton regime.

PHENIX↗