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At least 973 records · Page 54

Exploring the Nature of f-Element Soft Donor Interactions Using Electronically Tunable Azolate Ionic Liquids

This project was undertaken to advance the understanding of how f-elements interact with moderately soft donors, a heavily investigated yet open question which is of prime importance in spent nuclear fuel processing and fundamental inorganic chemistry. During the course of the project, based on exciting results, a stretch goal was developed to study the hydrolysis products of transuranic actinide metals, a somewhat understudied field even with its significance in nuclear fuel cycle and impacts in environmental chemistry. The stretch goal was to take our serendipitous discovery of an easy route to isolation of crystalline multinuclear ƒ-element hydrolysis products, and apply it to gaining a mechanistic understanding of Pu(III/IV) colloid formation. The simplicity of our techniques should lend themselves to the remote handling required for study of many transuranic elements. We developed several methodologies using azolium azolate chemistry to overcome ƒ-element hydrolysis problems that prohibit the isolation of ƒ-element soft donor complexes and to build a crystallographic library of ƒ-element N-donor complexes as a means to understand the fundamental differences between actinide and lanthanide interactions with moderately soft donor ligands. Our next major endeavor will be to transfer this chemistry from 4ƒ elements to transuranic elements, particularly in the study of hydrolysis of Pu(III/IV). While our work is fundamental in nature, applications of the knowledge we are generating should be felt in such diverse fields as catalysis, separations in general, nuclear waste remediation specifically, and many other applications in f-element magnetic and luminescent properties. The potential ramifications of the consistent and robust formation of hydrolysis controlled hexanuclear lanthanide structures are enormous, with future uses being catalyst formation, higher-nuclearity structure synthesis using our hexanuclear motif as a fundamental building block, Pu waste remediation, separations, and many other potential applications resulting from characteristic magnetic and luminescent properties of lanthanide polynuclear structures. Three synthetic methodologies (direct mixing with variable stoichiometries, use of volatile solvent, metathesis) were developed starting with 7 acidic and 6 basic azoles to obtain ionic liquids suitable for f-element coordination. Proton transfer by acidic/basic azole combination led to suitable low melting salts and two cocrystals. Acid/base reaction of azoles with soft-donor permanent cations of ([X 4444 ][OH] (where [X 4444 ] + = tetrabutylammonium [N 4444 ] + or tetrabutylphosphonium [P 4444 ] + ) with weakly acidic azoles including imidazole, 1,2,3-triazole, 1,2,4-triazole, 5-aminotetrazole, 4,5-dicyanoimidazole, and 2-amino-4,5-dicyanoimidazole) revealed several suitable low-melting salts. Metathesis reactions of Na(azolate) were conducted by first using weakly acidic azoles including 4,5-dicyanoimidazole, 2-amino-4,5-dicyanoimidazole, 5-aminotetrazole, and 1,2,4-triazole to form sodium or lithium salts using group(I) hydroxides in methanolic solutions. The best results were obtained by reacting the basic and acidic azoles directly in 1:1 or 3:1 ratios at elevated temperatures. Twenty-two azole mixtures were identified which are either low melting solids or room temperature liquids. Each of the low melting solids was confirmed to be a new solid phase, each of which is being further characterized. The liquids and solids are anticipated to be ILs, eutectics, or partially ionized systems, all of which will be suitable for the dissolution of f-element salts. Five new synthetic methodologies were developed to finding suitable crystallization conditions for f-element complexation with the goal of finding simple one pot reaction syntheses and crystallization strategies that could be used under the demanding conditions of transuranic chemistries. These synthetic methods yield many new crystalline phases which were studied by single crystal X-ray diffraction.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mississippi Sound Remote Sensing Study

The Mississippi Sound Remote Sensing Study was initiated as part of the research program of the NASA Earth Resources Laboratory. The objective of this study is development of remote sensing techniques to study near-shore marine waters. Included within this general objective are the following: (1) evaluate existing techniques and instruments used for remote measurement of parameters of interest within these waters; (2) develop methods for interpretation of state-of-the-art remote sensing data which are most meaningful to an understanding of processes taking place within near-shore waters; (3) define hardware development requirements and/or system specifications; (4) develop a system combining data from remote and surface measurements which will most efficiently assess conditions in near-shore waters; (5) conduct projects in coordination with appropriate operating agencies to demonstrate applicability of this research to environmental and economic problems.

Atwell, B. H.↗

Ocean Observations with EOS/MODIS: Algorithm Development and Post Launch Studies

This separation has been logical thus far; however, as launch of AM-1 approaches, it must be recognized that many of these activities will shift emphasis from algorithm development to validation. For example, the second, third, and fifth bullets will become almost totally validation-focussed activities in the post-launch era, providing the core of our experimental validation effort. Work under the first bullet will continue into the post-launch time frame, driven in part by algorithm deficiencies revealed as a result of validation activities. Prior to the start of the 1999 fiscal year (FY99) we were requested to prepare a brief plan for our FY99 activities. This plan is included as Appendix 1. The present report describes the progress made on our planned activities.

Gordon, Howard R.↗

Space-based Communications Infrastructure for Developing Countries

This study examines the potential use of satellites to augment the telecommunications infrastructure of developing countries with advanced satellites. The study investigated the potential market for using satellites in developing countries, the role of satellites in national information infractructures (NII), the technical feasibility of augmenting NIIs with satellites, and a nation's financial conditions necessary for procuring satellite systems. In addition, the study examined several technical areas including onboard processing, intersatellite links, frequency of operation, multibeam and active antennas, and advanced satellite technologies. The marketing portion of this study focused on three case studies: China, Brazil, and Mexico. These cases represent countries in various stages of telecommunication infrastructure development. The study concludes by defining the needs of developing countries for satellites, and recommends steps that both industry and NASA can take to improve the competitiveness of U.S. satellite manufacturing.

Barker, Keith↗

Skeletal muscle satellite cells cultured in simulated microgravity

Satellite cells are postnatal myoblasts responsible for providing additional nuclei to growing or regenerating muscle cells. Satellite cells retain the capacity to proliferate and differentiate in vitro and therefore provide a useful model to study postnatal muscle development. Most culture systems used to study postnatal muscle development are limited by the two-dimensional (2-D) confines of the culture dish. Limiting proliferation and differentiation of satellite cells in 2-D could potentially limit cell-cell contacts important for developing the level of organization in skeletal muscle obtained in vivo. Culturing satellite cells on microcarrier beads suspended in the High-Aspect-Ratio-Vessel (HARV) designed by NASA provides a low shear, three-dimensional (3-D) environment to study muscle development. Primary cultures established from anterior tibialis muscles of growing rats (approximately 200 gm) were used for all studies and were composed of greater than 75 % satellite cells. Different inoculation densities did not affect the proliferative potential of satellite cells in the HARV. Plating efficiency, proliferation, and glucose utilization were compared between 2-D flat culture and 3-D HARV culture. Plating efficiency (cells attached - cells plated x 100) was similar between the two culture systems. Proliferation was reduced in HARV cultures and this reduction was apparent for both satellite cells and non-satellite cells. Furthermore, reduction in proliferation within the HARV could not be attributed to reduced substrate availability since glucose levels in media from HARV and 2-D cell culture were similar. Morphologically, microcarrier beads within the HARVS were joined together by cells into three-dimensional aggregates composed of greater than 10 beads/aggregate. Aggregation of beads did not occur in the absence of cells. Myotubes were often seen on individual beads or spanning the surface of two beads. In summary, proliferation and differentiation of satellite cells on microcarrier beads within the HARV bioreactor results in a three dimensional level of organization that could provide a more suitable model to study postnatal muscle development.

Molnar, Greg↗

Estimation of skeletal muscle mass from body creatine content

Procedures have been developed for studying the effect of changes in gravitational loading on skeletal muscle mass through measurements of the body creatine content. These procedures were developed for studies of gravitational scale effects in a four-species model, comprising the hamster, rat, guinea pig, and rabbit, which provides a sufficient range of body size for assessment of allometric parameters. Since intracellular muscle creatine concentration varies among species, and with age within a given species, the concentration values for metabolically mature individuals of these four species were established. The creatine content of the carcass, skin, viscera, smooth muscle, and skeletal muscle was determined for each species. In addition, the skeletal muscle mass of the major body components was determined, as well as the total and fat-free masses of the body and carcass, and the percent skeletal muscle in each. It is concluded that these procedures are particularly useful for studying the effect of gravitational loading on the skeletal muscle content of the animal carcass, which is the principal weight-bearing organ of the body.

Pace, N.↗

Direct broadcast satellite-radio: Portable and mobile reception trade-offs

There has been considerable international effort in the areas of system studies, system development, and regulatory work for a Direct Broadcast Satellite Radio (DBS-R). An important milestone will be the 1992 World Radio Administrative Conference (WARC 1992) consideration of frequency allocation in the 500 - 3000 MHz range for such a service. There is an interagency agreement between Voice of America and the National Aeronautics and Space Administration for a coordinated program in DBS-R. This program includes seven tasks: systems tradeoff studies, propagation measurements, satellite experiment and demonstration, receiver development, market studies, regulatory studies, and WARC preparations. The findings of ongoing work under the first task, systems tradeoff studies, are discussed. Topics covered include digital bit rate and audio quality, propagation considerations and link margin estimates for portable reception, link margin estimates for mobile reception, coverage, and satellite size and cost estimates for a regional DBS-R coverage example.

Golshan, Nasser↗

Machine learning for the redox potential prediction of molecules in organic redox flow battery

Here, organic redox flow batteries (ORFB) are recognized as an innovative technology for the large-scale storage of renewable energy. The redox potential of organic redox-active molecules plays a vital role in their performance. Advanced screening techniques like high-throughput experiment and machine learning (ML) have significantly enhanced organic material performance and transformed the field of ORFB. However, the scarcity of experimental data poses a considerable challenge for ML model development in this domain. In our study, we developed lightweight graph-based Gaussian process regression (GPR) models with GPU-accelerated marginalized graph kernel and hybrid kernel to predict the redox potentials of organic redox-active molecules for ORFBs, specifically focusing on small datasets. To evaluate model accuracy, we created a new experimental database of organic redox-active molecules by the data from hundreds of published papers and assembled previous computational datasets. We also considered some key parameters, such as pH conditions and solvent type, to assess their impact on redox potential prediction. Our GPR model predicted redox potentials with high accuracy across all datasets using minimal training data. The study provides powerful tools for molecule screening and design and delivers valuable guidance on designing training datasets for costly experiments.

25 ENERGY STORAGE↗

Human Mars EDL Pathfinder Study: Assessment of Technology Development Gaps and Mitigations

This paper presents the results of a NASA initiated Agency-wide assessment to better characterize the risks and potential mitigation approaches associated with landing human class Entry, Descent, and Landing (EDL) systems on Mars. Due to the criticality and long-lead nature of advancing EDL techniques, it is necessary to determine an appropriate strategy to improve the capability to land large payloads. A key focus of this study was to understand the key EDL risks and with a focus on determining what "must" be tested at Mars. This process identified the various risks and potential risk mitigation strategies along with the key near term technology development efforts required and in what environment those technology demonstrations were best suited. The study identified key risks along with advantages to each entry technology. In addition, it was identified that provided the EDL concept of operations (con ops) minimized large scale transition events, there was no technology requirement for a Mars pre-cursor demonstration. Instead, NASA should take a direct path to a human-scale lander.

Lillard, Randolph↗

A program-level management system for the life cycle environmental and economic assessment of complex building projects

Climate change has become one of the most significant environmental issues, of which about 40% come from the building sector. In particular, complex building projects with various functions have increased, which should be managed from a program-level perspective. Therefore, this study aimed to develop a program-level management system for the life-cycle environmental and economic assessment of complex building projects. The developed system consists of three parts: (i) input part: database server and input data; (ii) analysis part: life cycle assessment and life cycle cost; and (iii) result part: microscopic analysis and macroscopic analysis. To analyze the applicability of the developed system, this study selected ‘U’ University, a complex building project consisting of research facility and residential facility. Through value engineering with experts, a total of 137 design alternatives were established. Based on these alternatives, the macroscopic analysis results were as follows: (i) at the program-level, the life-cycle environmental and economic cost in ‘U’ University were reduced by 6.22% and 2.11%, respectively; (ii) at the project-level, the life-cycle environmental and economic cost in research facility were reduced 6.01% and 1.87%, respectively; and those in residential facility, 12.01% and 3.83%, respective; and (iii) for the mechanical work at the work-type-level, the initial cost was increased 2.9%; but the operation and maintenance phase was reduced by 20.0%. As a result, the developed system can allow the facility managers to establish the operation and maintenance strategies for the environmental and economic aspects from a program-level perspective. - Highlights: • A program-level management system for complex building projects was developed. • Life-cycle environmental and economic assessment can be conducted using the system. • The design alternatives can be analyzed from the microscopic perspective. • The system can be used to establish the optimal O&M strategy at the program-level. • It can be applied to any other country or sector in the global environment.

54 ENVIRONMENTAL SCIENCES↗

Advice for emerging researchers on research program development: A personal case study

Yearly, hundreds of new scientists and engineers start their independent research programs at universities, government laboratories or other institutions. Every individual embarks on this pathway with some idea about what research directions they wish to undertake, but often, with little insight into how their research career may evolve over time. Additionally, there are relatively few descriptions of how the research programs of other scientists and engineers have developed over time. In most cases where such overviews are available, they are written towards the end of a researcher's career, at a point far from the early development of the program. In this work, I provide my personal thoughts and observations on the development and evolution of the first 16 years of my research program as a case study. This overview does not intend to suggest this particular case as an exemplar, but rather, provides a single example of how one program evolved. In the course of the description, I try to identify general observations and suggestions that might aid a new researcher in the chemical sciences or engineering in the development of their research program. Specifically, the focus is on a program where the newly independent investigator has significant autonomy to select research topics of her/his choice (e.g., many universities, some government or corporate labs), although it is recognized that in many organizations, a researcher must fit into and adapt to the specific needs of the host institution. A particular aspect of my research program is that it blends research on (1) materials chemistry, (2) catalysis and reaction engineering, and (3) separations. As such, I will draw from specific examples of my own work in these fields as part of the discussion. However, the reader should note that this perspective is not a traditional overview of the full breadth of the title research topic, although my group has written such reviews and perspectives on a variety of the subjects covered here.1-6 Instead, here I discuss how my program evolved in stages, including (1) the search for a position, (2) launching your laboratory, (3) development of research themes and finishing with (4) a summary of advice for researchers starting their independent laboratories.

36 MATERIALS SCIENCE↗

Exploiting ultra-large linear elasticity over a wide temperature range in nanocrystalline NiTi alloy

Many shape memory alloys can support large recoverable strains of a few percent by reversible stress-induced martensite transformation, yet they behave non-linear within a narrow operating temperature range. Developing the bulk metallic materials with ultra-large linear elasticity over a wide temperature range has proven to be difficult. In this work, a material design concept was proposed, that is true elastic deformation and reversible twinning-detwinning deformation run in parallel to overcome this challenge. By engineering the residual internal stress to realize the concurrency of true elastic deformation and twinning-detwinning deformation, a bulk nanocrystalline NiTi that possesses an ultra-large linear elastic strain up to 5.1 % and a high yield stress of 2.16 GPa over a wide temperature range of 270 °C was developed. This study offers a new avenue for developing the metallic materials with ultra-large linear elasticity over a wide temperature range of 270 °C (from 70 °C to -197 °C).

36 MATERIALS SCIENCE↗

The interaction of edge dislocations with hydrogen-helium bubbles in tungsten

In fusion reactors, plasmas-facing components undergo degradation due to displacement damage and injection of gas impurities. Significant amounts of hydrogen (H) and helium (He) impurities can be introduced into materials through plasma exposure and nuclear transmutation, and their synergistic effects lead to the formation of mixed He/H bubbles under irradiation, changing their hardening mechanisms. In this study, molecular dynamics (MD) models were developed to study the interaction between ½<111> edge dislocations with mixed He/H-bubbles in W. The critical resolved shear stress (CRSS) that is required for dislocation breakaway increases with He/H-to-vacancy ratio at 600 K, indicating strong pinning effects of mixed He/H bubbles. However, as the temperature increases up to 1400 K, the mixed He/H bubbles become unstable as the H atoms are increasingly emitted from the mixed He/H bubbles and migrate into W matrix, which lowers bubble pressure and CRSS. Overall, these results highlight the synergistic effects of He and H on dislocation behavior in irradiated W during deformation.

36 - MATERIALS SCIENCE↗

TH-CD-207A-12: Impacts of Inter- and Intra-Fractional Organ Motion for High-Risk Prostate Cancer Stereotactic Body Radiation Therapy

Purpose: We are conducting a clinical trial on stereotactic body radiation therapy (SBRT) for high-risk prostate cancer. Doses to three targets, prostate, intra-prostatic lesion, and pelvic lymph node (PLN) region, are escalated to three different levels via simultaneous integrated boost technique. Inter-/intra-fractional organ motions deteriorate planned dose distribution. This study aims at developing a dose reconstruction system to comprehensively understand the impacts of organ motion in our clinical trial. Methods: A 4D dose reconstruction system has been developed for this study. Using a GPU-based Monte-Carlo dose engine and delivery log file, the system is able to reconstruct dose on static or dynamic anatomy. For prostate and intra-prostatic targets, intra-fractional motion is the main concern. Motion trajectory acquired from Calypso in previously treated SBRT patients were used to perform 4D dose reconstructions. For pelvic target, inter-fractional motion is one concern. Eight patients, each with four cone beam CTs, were used to derive fractional motion. The delivered dose was reconstructed on the deformed anatomy. Dosimetric parameters for delivered dose distributions of the three targets were extracted and compared with planned levels. Results: For prostate intra-fractional motion, the mean 3D motion amplitude during beam delivery ranged from 1.5mm to 5.0mm and the average among all patients was 2.61mm. Inter-fractional motion for the PLN target was more significant. The average amplitude among patients was 4mm with the largest amplitude up to 9.6mm. The D95% deviation from planned level for prostate PTVs and GTVs are on average less than<0.1% and this deviation for intra-prostatic lesion PTVs and GTVs were more prominent. The dose at PLN was significantly affected with D{sub 95}% reduced by up to 44%. Conclusion: Intra-/inter-fractional organ motion is a concern for high-risk prostate SBRT, particularly for the PLN target. Our dose reconstruction approach can also serve as the basis to guide treatment adaptation.

60 APPLIED LIFE SCIENCES↗

Sources of Uncertainty in Modeled Land Carbon Storage within and across Three MIPs: Diagnosis with Three New Techniques

Terrestrial carbon cycle models have incorporated increasingly more processes as a means to achieve more-realistic representations of ecosystem carbon cycling. Despite this, there are large across-model variations in the simulation and projection of carbon cycling. Several model intercomparison projects (MIPs), for example, the fifth phase of the Coupled Model Intercomparison Project (CMIP5) (historical simulations), Trends in Net Land–Atmosphere Carbon Exchange (TRENDY), and Multiscale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP), have sought to understand intermodel differences. Here in this study, the authors developed a suite of new techniques to conduct post-MIP analysis to gain insights into uncertainty sources across 25 models in the three MIPs. First, terrestrial carbon storage dynamics were characterized by a three-dimensional (3D) model output space with coordinates of carbon residence time, net primary productivity (NPP), and carbon storage potential. The latter represents the potential of an ecosystem to lose or gain carbon. This space can be used to measure how and why model output differs. Models with a nitrogen cycle generally exhibit lower annual NPP in comparison with other models, and mostly negative carbon storage potential. Second, a transient traceability framework was used to decompose any given carbon cycle model into traceable components and identify the sources of model differences. The carbon residence time (or NPP) was traced to baseline carbon residence time (or baseline NPP related to the maximum carbon input), environmental scalars, and climate forcing. Third, by applying a variance decomposition method, the authors show that the intermodel differences in carbon storage can be mainly attributed to the baseline carbon residence time and baseline NPP (>90% in the three MIPs). The three techniques developed in this study offer a novel approach to gain more insight from existing MIPs and can point out directions for future MIPs. Finally, since this study is conducted at the global scale for an overview on intermodel differences, future studies should focus more on regional analysis to identify the sources of uncertainties and improve models at the specified mechanism level.

54 ENVIRONMENTAL SCIENCES↗

Foundational Open Source Solar System Modeling Through Improvement and Validation of the System Advisor Model and PVWatts (FY19-FY21 Final Technical Report)

Accelerating intelligent deployment of solar energy technologies demands accurate system modeling every step of the way. From project development to policy research, grid integration studies to development of novel technologies, industry and researchers alike need validated, transparent, easy-to-use, extensible, cutting-edge, and accurate models of both the performance and financing of solar systems. The System Advisor Model (SAM) and PVWatts tools provide a platform to fill that need. The overarching goal of this set of software tools is to enable accurate PV system modeling across the industry, and our usage metrics indicate that we continue to succeed in that endeavor, with a user starting SAM every 2 minutes globally, and over 17 million PVWatts hits per month. This project leveraged DOEs past investment in the SAM and PVWatts platforms to continue to provide valuable and extensible PV, battery, and financial modeling resources to the larger solar community. We pursued multiple avenues in parallel: software maintenance and technical support that are foundational to the continued usability of the SAM and PVWatts platforms; platform and PV model improvements and stakeholder engagement activities that are core to the continued relevance of the platforms; and open source activities to foster the continued creation of a vibrant open-source community around the SAM and PVWatts tools, which opens up exciting new opportunities for industry interaction.

14 SOLAR ENERGY↗

Handling and Tagging Techniques for Implanting Juvenile American Shad with a New Acoustic Microtransmitter

In this article, the use of telemetry techniques to better understand the behavior and survival of juvenile American shad (Alosa sapidissima), as they migrate through hydropower systems, has been challenging because shad are widely known to be particularly sensitive to handling. The goal of this study was to develop a tagging protocol using a new, acoustic micro transmitter that minimizes the detrimental effects of the tagging process and maximizes post-tagging survival of juvenile American shad. Limiting out-of-water handling and the use of brackish saltwater (7.5 parts per thousand) before and after tagging improved survival for shad tagged using a simple pectoral implantation method. This protocol provides a detailed, step-by-step procedure for tagging juvenile shad with acoustic transmitters. Fish tagged using this procedure and held in the laboratory for 60 days had an 81.5% survival rate, compared to 70% for their untagged counterparts. The successful tagging and handling practices developed in this study could be applied to field telemetry studies of juvenile shad and other sensitive species.

59 BASIC BIOLOGICAL SCIENCES↗

Numerical simulation of a supersonic reacting mixing layer

In order to arrive at physical models that can adequately describe supersonic combustion, and develop accurate and efficient numerical techniques for the solution of such models' governing equations, a computer program has been developed for the study of reacting flows which considers the multicomponent diffusion and convection of important chemical species, as well as their finite state reaction and the interaction of the fluid mechanics and the chemistry that occurred. The code employs a hybrid Chebyshev pseudospectral technique for integration of the models' resulting governing equations; the program is here used to study a spatially developing and reacting mixing layer.

Drummond, J. Philip↗