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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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Final Report for Project "Framework Application for Core-Edge Transport Simulations (FACETS)"

This is the final report for the Colorado State University Component of the FACETS Project. FACETS was focused on the development of a multiphysics, parallel framework application that could provide the capability to enable whole-device fusion reactor modeling and, in the process, the development of the modeling infrastructure and computational understanding needed for ITER. It was intended that FACETS be highly flexible, through the use of modern computational methods, including component technology and object oriented design, to facilitate switching from one model to another for a given aspect of the physics, and making it possible to use simplified models for rapid turnaround or high-fidelity models that will take advantage of the largest supercomputer hardware. FACETS was designed in a heterogeneous parallel context, where different parts of the application can take advantage through parallelism based on task farming, domain decomposition, and/or pipelining as needed and applicable. As with all fusion simulations, an integral part of the FACETS project was treatment of the coupling of different physical processes at different scales interacting closely. A primary example for the FACETS project is the coupling of existing core and edge simulations, with the transport and wall interactions described by reduced models. However, core and edge simulations themselves involve significant coupling of different processes with large scale differences. Numerical treatment of coupling is impacted by a number of factors including, scale differences, form of information transferred between processes, implementation of solvers for different codes, and high performance computing concerns. Operator decomposition involving the computation of the individual processes individually using appropriate simulation codes and then linking/synchronizing the component simulations at regular points in space and time, is the defacto approach to high performance simulation of multiphysics, multiscale systems. Various forms of operator decomposition are used in nearly all fusion simulations. However, operator decomposition generally has a complex effect on accuracy and stability of numerical simulations. Yet, these effects can be difficult to detect. The Colorado State University component of the FACETS team led by P.I.D. Estep was focused on analyzing the effects of operator decomposition on fusion simulations. The approach was based on a posteriori error analysis employing adjoint problems, computable residuals, and variational analysis to produce accurate computational error estimates for quantities of interest. Computable residuals are used to quantify the effects of various discretization choices. The generalized Greens function satisfying the adjoint problem quantities the effects of stability. Technical issues to be addressed included: (1) defining appropriate adjoint operators for operator decomposition discretizations; (2) determining the appropriate residuals for the multifaceted aspects involved with multiphysics discretizations; (3) producing the estimates within the computational framework of existing fusion codes; (4) carrying out the analysis for discretizations used in fusion simulations; and (5) devising efficient approaches to mitigating the effects of discretization. This report provides a summary of the accomplished research and a detailed description of personnel, activities, outcomes and achievements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High performance remote sensing data analysis using parallel computation

This paper examines the JPL/Caltech parallel processing system designed for rapid processing and transfer of large quantities of data from remote sensing instruments flown on NASA missions. Two remote sensing analysis applications that use this processing system are described: (1) an analysis system for retrieval of atmospheric parameters (such as species abundance, atmospheric temperature, and water vapor profiles) from data obtained by a Fourier transform IR spectrometer and (2) a prototype airborne SAR processing system. It is shown that a parallel processing system such as the JPL/Caltech system can offer supercomputer computational capability and high-volume data throughput and still be cost-effective.

Patterson, Jean E.↗

Orbit Transfers for Dawn's Vesta Operations : Navigation and Mission Design Experience

Dawn, a mission belonging to NASA's Discovery Program, was launched on September 27, 2007 to explore main belt asteroids in order to yield insights into important questions about the formation and evolution of the solar system. From July of 2011 to August of 2012, the Dawn spacecraft successfully returned valuable science data, collected during the four planned mapping orbits at its first target asteroid, Vesta. Each mapping orbit was designed to enable a different set of scientific observations. Such a mission would have been impossible without the low thrust ion propulsion system (IPS). Maneuvering a spacecraft using only the IPS for the transfers between the mapping orbits posed many technical challenges to Dawn's flight team at NASA's Jet Propulsion Laboratory. Each transfer needs a robust plan that accounts for uncertainties in maneuver execution, orbit determination, and physical characteristics of Vesta. This paper discusses the mission design and navigational experience during Dawn's Vesta operations. Topics include requirements and constraints from Dawn's science and spacecraft teams, orbit determination and maneuver design and building process for transfers, developing timelines for thrust sequence build cycles, and the process of scheduling very demanding coverage with ground antennae at NASA's Deep Space Network.

low thrust↗

Process development and scale-up of value added molecules (CRADA Final Report)

In this project, a genetically modified Saccharomyces cerevisiae was used to produce Histamine via fermentation of dextrose. Zymergen provided a tech transfer document based on their 1 L studies, where they observed a titer of 0.9 g/L with this strain. The ABPDU staff performed two bench scale campaigns, with four 2 L reactors in each campaign, to carry out tech transfer and process optimization studies. Optimization was pursued by varying initial glucose concentration, feed initiation conditions, feed strategies, vitamin supplementation, inoculum size, etc. We chose a 2 L process condition, with 4% inoculum volume, continuous feed initiated after complete ethanol depletion, that yielded the most promising titers (2.41 g/L) for scale up to 300 L.

60 APPLIED LIFE SCIENCES↗

Data Transferability and Collection Consistency in Marine Renewable Energy

Concerns about the potential effects of tidal turbines and wave energy devices on the marine environment continue to slow siting and permitting/consenting of single devices and arrays worldwide. While research studies and early results from post-installation monitoring over the past decade have informed interactions between marine renewable energy (MRE) devices, marine animals, and habitats, regulators still demonstrate considerable reluctance to accelerate the permitting/consenting process for devices and arrays. Furthermore, the MRE industry is struggling with the high costs of baseline assessments and post-installation monitoring, as well as long timelines for obtaining permits, which leads to uncertainty and risk related to project financing. Regulators require assessment and monitoring information to allow them to carry out the necessary analyses to describe, permit/consent, and manage the environmental risks associated with new MRE technologies and new uses of ocean space. One way to reduce risks to the industry and the environment and to allow for acceleration of the permitting/consenting process could be to transfer learning, analyses, and data sets from one country to another, among projects, and across jurisdictional boundaries. In addition, data are collected around early-stage MRE devices using many different methods, instruments, and measurement scales. If similar parameters and accessible methods of data collection were used for baseline assessments and post-installation monitoring around all early-stage devices and MRE developments, the results would be more readily comparable. This comparability would lead to a decrease in scientific uncertainty and support a common understanding of the risk of MRE devices to the marine environment. This in turn would facilitate more efficient and shorter permitting/consenting processes, which would decrease the financial risk for MRE project development. As a means of addressing the concept of transferring data (information, learning, analyses, and data sets) among projects and collecting data consistently, Annex IV has developed a data transferability process that has been socialized with the MRE community, which includes regulators, industry, developers, consultants, and researchers. The data transferability process consists of five components: 1. A Data Transferability Framework brings together data sets in an organized fashion, compares the applicability of each data set for use on other projects, and guides the process of data transfer 2. A Data Collection Consistency Table provides preferred measurement methods or processes, reporting units, and the most common methods of analysis or interpretation and use of data 3. A Monitoring Data Sets Discoverability Matrix allows a practitioner to discover data sets based on the approach presented in the Framework 4. Best Management Practices (BMPs) include five BMPs related to data transferability and collection consistency 5. An Implementation Plan presents an approach for implementing and applying the data transferability process. This report documents the background and development of the data transferability process and associated components and summarizes the next steps needed to successfully implement and apply the data transferability process.

16 TIDAL AND WAVE POWER↗

An integrated optical CO2 sensor. Phase 0: Design and fabrication of critical elements

Significant progress has been made toward all of the goals for the first phase of the project short of actual fabrication of a light path. Two alternative approaches to fabricating gold mirrors using the basic LIGA process were developed, one using electroplated solid gold mirrors and the second using gold plated over a nickel base. A new method of fabrication, the transfer mask process, was developed and demonstrated. Analysis of the projected surface roughness and beam divergence effects was completed. With gold surface with low surface roughness scattering losses are expected to be insignificant. Beam divergence due to diffraction will require a modification of the original design, but should be eliminated by fabricating mirrors 1000 mu m in height by 1000 mu m in width and using a source with an initial beam radius greater than 300 mu m. This may eliminate any need for focusing optics. Since the modified design does not affect the mask layout, ordering of the mask and fabrication of the test structures can begin immediately at the start of Phase 1.

Murphy, Michael C.↗

Waste management strategy for cost effective and environmentally friendly NPP decommissioning

Decommissioning of nuclear power plants generates large volumes of radioactive or potentially radioactive waste. The proper management of the dismantling waste plays an important role for the time needed for the dismantling phase and thus is critical to the decommissioning cost. An efficient and thorough process for inventorying, characterization and categorization of the waste provides a sound basis for the planning process. As part of comprehensive decommissioning studies for Nordic NPPs, Westinghouse has developed the decommissioning inventories that have been used for estimations of the duration of specific work packages and the corresponding costs. As part of creating the design basis for a national repository for decommissioning waste, the total production of different categories of waste packages has also been predicted. Studsvik has developed a risk based concept for categorization and handling of the generated waste using six different categories with a span from extremely small risk for radiological contamination to high level waste. The two companies have recently joined their skills in the area of decommissioning on selected market in a consortium named ndcon to further strengthen the proposed process. Depending on the risk for radiological contamination or the radiological properties and other properties of importance for waste management, treatment routes are proposed with well-defined and proven methods for on-site or off-site treatment, activity determination and conditioning. The system is based on a graded approach philosophy aiming for high confidence and sustainability, aiming for re-use and recycling where found applicable. The objective is to establish a process where all dismantled material has a pre-determined treatment route. These routes should through measurements, categorization, treatment, conditioning, intermediate storage and final disposal be designed to provide a steady, un-disturbed flow of material to avoid interruptions. Bottle-necks in the process causes increased space requirements and will have negative impact on the project schedule, which increases not only the cost but also the dose exposure to personnel. For these reasons it is critical to create a process that transfers material into conditioned waste ready for disposal as quickly as possible. To a certain extent the decommissioning program should be led by the waste management process. With the objective to reduce time for handling of dismantled material at site and to efficiently and environmental-friendly use waste management methods (clearance for re-use followed by clearance for recycling), the costs for the plant decommissioning could be reduced as well as time needed for performing the decommissioning project. Also, risks for delays would be reduced with a well-defined handling scheme which limits surprises. Delays are a major cost driver for decommissioning projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Waste Management Strategy for Dismantling Waste to Reduce Costs for Power Plant Decommissioning - 13543

Decommissioning of nuclear power plants generates large volumes of radioactive or potentially radioactive waste. The proper management of the dismantling waste plays an important role for the time needed for the dismantling phase and thus is critical to the decommissioning cost. An efficient and thorough process for inventorying, characterization and categorization of the waste provides a sound basis for the planning process. As part of comprehensive decommissioning studies for Nordic NPPs, Westinghouse has developed the decommissioning inventories that have been used for estimations of the duration of specific work packages and the corresponding costs. As part of creating the design basis for a national repository for decommissioning waste, the total production of different categories of waste packages has also been predicted. Studsvik has developed a risk based concept for categorization and handling of the generated waste using six different categories with a span from extremely small risk for radiological contamination to high level waste. The two companies have recently joined their skills in the area of decommissioning on selected market in a consortium named 'ndcon' to further strengthen the proposed process. Depending on the risk for radiological contamination or the radiological properties and other properties of importance for waste management, treatment routes are proposed with well-defined and proven methods for on-site or off-site treatment, activity determination and conditioning. The system is based on a graded approach philosophy aiming for high confidence and sustainability, aiming for re-use and recycling where found applicable. The objective is to establish a process where all dismantled material has a pre-determined treatment route. These routes should through measurements, categorization, treatment, conditioning, intermediate storage and final disposal be designed to provide a steady, un-disturbed flow of material to avoid interruptions. Bottle-necks in the process causes increased space requirements and will have negative impact on the project schedule, which increases not only the cost but also the dose exposure to personnel. For these reasons it is critical to create a process that transfers material into conditioned waste ready for disposal as quickly as possible. To a certain extent the decommissioning program should be led by the waste management process. With the objective to reduce time for handling of dismantled material at site and to efficiently and environmental-friendly use waste management methods (clearance for re-use followed by clearance for recycling), the costs for the plant decommissioning could be reduced as well as time needed for performing the decommissioning project. Also, risks for delays would be reduced with a well-defined handling scheme which limits surprises. Delays are a major cost driver for decommissioning projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Discovery of Graphene-Water Membrane Structure: Toward High-Quality Graphene Process

It is widely accepted that solid-state membranes are indispensable media for the graphene process, particularly transfer procedures. But these membranes inevitably bring contaminations and residues to the transferred graphene and consequently compromise the material quality. This study reports a newly observed free-standing graphene-water membrane structure, which replaces the conventional solid-state supporting media with liquid film to sustain the graphene integrity and continuity. Experimental observation, theoretical model, and molecular dynamics simulations consistently indicate that the high surface tension of pure water and its large contact angle with graphene are essential factors for forming such a membrane structure. More interestingly, water surface tension ensures the flatness of graphene layers and renders high transfer quality on many types of target substrates. This report enriches the understanding of the interactions on reduced dimensional material while rendering an alternative approach for scalable layered material processing with ensured quality for advanced manufacturing.

36 MATERIALS SCIENCE↗

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. In this study, we show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO 4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.

25 ENERGY STORAGE↗

Realized ecological forecast through an interactive Ecological Platform for Assimilating Data (EcoPAD, v1.0) into models

Abstract. Predicting future changes in ecosystem services is not only highly desirable but is also becoming feasible as several forces (e.g., available big data, developed data assimilation (DA) techniques, and advanced cyber-infrastructure) are converging to transform ecological research into quantitative forecasting. To realize ecological forecasting, we have developed an Ecological Platform for Assimilating Data (EcoPAD, v1.0) into models. EcoPAD (v1.0) is a web-based software system that automates data transfer and processing from sensor networks to ecological forecasting through data management, model simulation, data assimilation, forecasting, and visualization. It facilitates interactive data–model integration from which the model is recursively improved through updated data while data are systematically refined under the guidance of model. EcoPAD (v1.0) relies on data from observations, process-oriented models, DA techniques, and the web-based workflow. We applied EcoPAD (v1.0) to the Spruce and Peatland Responses Under Climatic and Environmental change (SPRUCE) experiment in northern Minnesota. The EcoPAD-SPRUCE realizes fully automated data transfer, feeds meteorological data to drive model simulations, assimilates both manually measured and automated sensor data into the Terrestrial ECOsystem (TECO) model, and recursively forecasts the responses of various biophysical and biogeochemical processes to five temperature and two CO 2 treatments in near-real time (weekly). Forecasting with EcoPAD-SPRUCE has revealed that mismatches in forecasting carbon pool dynamics are more related to model (e.g., model structure, parameter, and initial value) than forcing variables, opposite to forecasting flux variables. EcoPAD-SPRUCE quantified acclimations of methane production in response to warming treatments through shifted posterior distributions of the CH 4 :CO 2 ratio and the temperature sensitivity ( Q 10 ) of methane production towards lower values. Different case studies indicated that realistic forecasting of carbon dynamics relies on appropriate model structure, correct parameterization, and accurate external forcing. Moreover, EcoPAD-SPRUCE stimulated active feedbacks between experimenters and modelers to identify model components to be improved and additional measurements to be taken. It has become an interactive model–experiment (ModEx) system and opens a novel avenue for interactive dialogue between modelers and experimenters. Altogether, EcoPAD (v1.0) acts to integrate multiple sources of information and knowledge to best inform ecological forecasting.

54 ENVIRONMENTAL SCIENCES↗

Process-informed adsorbent design guidelines for direct air capture

Direct air capture using solid adsorbents is a proven technology critical to reducing our net greenhouse gas emissions to zero and beyond. Currently, academic research into the technology mainly focuses on the development of new adsorbents. However, there is a discord between the adsorbent design and process performance. Many materials scientists focus on maximising metrics such as the CO 2 capacity of their adsorbent. Here, we combine detailed process modelling, machine learning, and extensive global sensitivity analysis, which entails varying all of the model parameters together, on a direct air capture process to show that the dry CO 2 adsorption capacity does not influence process performance for an amine-functionalised adsorbent operating in a temperature vacuum swing adsorption (TVSA) process, while it is important in a steam-assisted TVSA (S-TVSA) process. In fact, adsorption kinetics, density, and thermal conductivity are all critical attributes to obtaining a low energy penalty and reduced costs. The analysis also highlights the importance of heat transfer, directing process engineers to (alternative) adsorber designs that maximise this. By an in-depth evaluation of how process performance indicators are affected by materials properties and process operating parameters, this work provides guidance to both material scientists and process engineers towards the design of a “unicorn adsorbent” and intensified DAC processes. This will improve the performance of solid adsorbent direct air capture and help drive down the costs of this vital technology to avert the worst impacts of climate change.

42 ENGINEERING↗

Spectroscopic Studies of Photosynthetic Systems and Their Application in Photovoltaic Devices - Equipment Only: Cooperative Research and Development Final Report, CRADA Number CRD-06-175

Spectral hole-burning (SHB) and single photosynthetic complex spectroscopy (SPCS) will be used to study the excitonic structure and excitation energy transfer (EET) processes of several photosynthetic protein complexes at low temperatures. The combination of SHB on bulk samples and SPCS is a powerful frequency domain approach for obtaining data that will address a number of issues that are key to understanding excitonic structure and energy transfer dynamics. The long-term goal is to reach a better understanding of the ultrafast solar energy driven primary events of photosynthesis as they occur in higher plants, cyanobacteria, purple bacteria, and green algae. A better understanding of the EET and charge separation (CS) processes taking place in photosynthetic complexes is of great interest, since photosynthetic complexes might offer attractive architectures for a future generation of circuitry in which proteins are crystallized.

09 BIOMASS FUELS↗

Training, Retention, and Transfer of Data Entry Perceptual and Motor Processes Over Short and Long Retention Intervals

In 2 experiments, subjects trained in a standard data entry task, which involved typing numbers (e.g., 2147) using their right hands. At an initial test (20 min or 6 months after training), subjects completed the standard task, followed by a left-hand variant (typing with their left hands) that involved the same perceptual, but different motoric, processes as the standard task. At a second test (2 days or 8 months after training), subjects completed the standard task, followed by a code variant (translating letters into digits, then typing the digits with their right hands) that involved different perceptual, but the same motoric, processes as the standard task. At test, for each of the three tasks, half the trials were trained numbers (old) and half were new. Repetition priming (faster response times to old than new numbers) was found for each task, with extended delays only slightly decreasing the magnitude of the effect. Repetition priming for the standard task reflects retention of trained numbers, for the left-hand variant reflects transfer of perceptual processes, and for the code variant reflects transfer of motoric processes. There was, thus, evidence for both specificity and generalizability of training data entry perceptual and motoric processes even over very long retention intervals.

transfer↗

Training, Retention, and Transfer of Data Entry Perceptual and Motoric Processes Over Long Retention Intervals

Subjects trained in a standard data entry task, which involved typing numbers (e.g., 5421) using their right hands. At test (6 months post-training), subjects completed the standard task, followed by a left-hand variant (typing with their left hands) that involved the same perceptual, but different motoric, processes as the standard task. At a second test (8 months post-training), subjects completed the standard task, followed by a code variant (translating letters into digits, then typing the digits with their right hands) that involved different perceptual, but the same motoric, processes as the standard task. For each of the three tasks, half the trials were trained numbers (old) and half were new. Repetition priming (faster response times to old than new numbers) was found for each task. Repetition priming for the standard task reflects retention of trained numbers; for the left-hand variant reflects transfer of perceptual processes; and for the code variant reflects transfer of motoric processes. There was thus evidence for both specificity and generalizability of training data entry perceptual and motoric processes over very long retention intervals.

dat↗

Lignin to liquid fuels and polyols using biomass-derived solvents

A process of producing a distillate fuel from lignin includes: preparing a biomass-derived lignin solvent; dissolving the lignin in the biomass-derived solvent; and separating undissolved lignin and mineral matter to produce a syncrude. In certain embodiments, the process further includes subjecting the syncrude to a hydrotreatment/hydrogenation process to produce a distillate fuel. A process to improve direct lignin liquefaction includes: using a non-hydrogenated lipid in a direct lignin liquefaction process to facilitate lignin depolymerization. A process for using a biomass-derived feedstock as a hydrogen donor includes: providing a biomass-derived feedstock; modifying the feedstock to improve its usefulness as a hydrogen donor; and conducting a transfer hydrogenation process using the modified feedstock as a hydrogen donor.

Chauhan, Satya P.↗

The Effects of Low Frequency on the Microstructure and Mechanical Properties of High-Strength Al-Mg Aluminum Alloys by Wire and Double-Pulsed Arc Additive Manufacturing

An innovative and high deposition efficiency process, the double-pulsed arc additive manufacturing process, is used to produce high-strength Al-Mg wall components. This dissertation investigates the electrical parameter acquisition, bead appearance, porosity morphology, microstructure and mechanical properties of additively manufactured high-strength Al-Mg wall components and how these are affected by the low frequency of the double-pulsed arc additive manufacturing process. Then, using this process at different low frequencies of 0, 1, 3, 5, 7 and 9 Hz, multilayer deposition experiments were performed. It can be observed that the deposit porosity is obviously eliminated compared with cold metal transfer (CMT) process. The bead appearance of the deposited aluminum wall varies clearly with low frequencies, and at a low frequency of 3 Hz, its appearance is the best of all. The optical observation of microstructure proves that the average grain size varies significantly with low frequency, and at a low frequency of 1 Hz, it is the smallest. In addition, the deposited wall showed maximum mean microhardness and maximum ultimate tensile strength at a low frequency of 3 Hz. Considering the deposited porosity and mechanical priorities, double-pulsed arc additive manufacturing with a frequency of 3 Hz is more suitable for making high-strength Al-Mg wall components than at other low frequencies.

36 MATERIALS SCIENCE↗

Electrolytic Etching of Germanium Substrates with Hydrogen Peroxide

Anodic electrolytic etching of germanium has been performed in hydrogen peroxide etchants with controlled external conditions. In-situ current and ex-situ etch-depths were measured and tracked with respect to etchant composition and stir rates. Gas bubbles formed during the etching process were found to cause non-uniformity in etch-current and surface quality. The effects were minimized in specific composition spaces. Quantitative analysis revealed a linear correlation of the number of electrons transferred during germanium oxidation with the number of surface atoms removed. Experimental results of 2.77 electrons/atom deviate significantly from 4 electrons/atom previously reported for silicon. The conclusion is that etching mechanisms for germanium are sufficiently different from those for silicon which invalidates the direct transfer of processing techniques between the two materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗