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At least 145 records · Page 8

Multi-level adaptive finite element methods. 1: Variation problems

A general numerical strategy for solving partial differential equations and other functional problems by cycling between coarser and finer levels of discretization is described. Optimal discretization schemes are provided together with very fast general solvers. It is described in terms of finite element discretizations of general nonlinear minimization problems. The basic processes (relaxation sweeps, fine-grid-to-coarse-grid transfers of residuals, coarse-to-fine interpolations of corrections) are directly and naturally determined by the objective functional and the sequence of approximation spaces. The natural processes, however, are not always optimal. Concrete examples are given and some new techniques are reviewed. Including the local truncation extrapolation and a multilevel procedure for inexpensively solving chains of many boundary value problems, such as those arising in the solution of time-dependent problems.

Brandt, A.↗

The design and application of a Transportable Inference Engine (TIE1)

A Transportable Inference Engine (TIE1) system has been developed by the author as part of the Interactive Experimenter Planning System (IEPS) task which is involved with developing expert systems in support of the Spacecraft Control Programs Branch at Goddard Space Flight Center in Greenbelt, Maryland. Unlike traditional inference engines, TIE1 is written in the C programming language. In the TIE1 system, knowledge is represented by a hierarchical network of objects which have rule frames. The TIE1 search algorithm uses a set of strategies, including backward chaining, to obtain the values of goals. The application of TIE1 to a spacecraft scheduling problem is described. This application involves the development of a strategies interpreter which uses TIE1 to do constraint checking.

Mclean, David R.↗

The design and application of a Transportable Inference Engine (TIE1)

A Transportable Inference Engine (TIE1) system has been developed by the author as part of the Interactive Experimenter Planning System (IEPS) task which is involved with developing expert systems in support of the Spacecraft Control Programs Branch at Goddard Space Flight Center in Greenbelt, Maryland. Unlike traditional inference engines, TIE1 is written in the C programming language. In the TIE1 system, knowledge is represented by a hierarchical network of objects which have rule frames. The TIE1 search algorithm uses a set of strategies, including backward chaining, to obtain the values of goals. The application of TIE1 to a spacecraft scheduling problem is described. This application involves the development of a strategies interpreter which uses TIE1 to do constraint checking.

Mclean, David R.↗

Supply Chain for Energy Technologies

Understanding manufacturing cost implications of technologies is critical to aid adoption of next-generation energy solutions. It is important to understand not only of the manufacturing costs and value-add along the supply chain, but also gain understanding of manufacturing location decisions. By identifying a technology's competitive strengths and weaknesses, analyses give researchers and program decision makers the data and insights needed to create strategies and plans that better promote U.S. economic growth and pursue R&D activities that have the greatest long-term potential to yield significant energy savings for U.S. consumers. In this talk, we present examples of analysis from a variety of energy technologies to demonstrate how manufacturing cost analysis can be used to answer specific policy or research questions. In addition, we present case studies showing the importance of understanding trade flow, manufacturing locations, and capacity and utilization to inform economic growth and potential for technology adoption.

benchmarking↗

Geographically Dependent Sustainability Indicators for Comparison of Conventional Vegetable Production to Controlled-Environment Agriculture

Many food system lifecycle analyses distill agricultural production and supply chain impacts into single-value sustainability metrics for various food categories. These studies provide an overview of the food supply system that highlight striking results such as the GHG impacts of meat production. The supply chain impacts of vegetable production occupy the middle ground; higher than average food loss and waste, lower than average overall energy use, etc. However, aggregated results obscure the sustainability implications of the location of food production, especially for vegetables. Moreover, the increasing instability of food production systems are not captured, as illustrated by a recent Washington Post article. According to a UC Merced study conducted for the state, California farmers left nearly 400,000 acres of agricultural land unplanted last year because of a lack of water. The result, the study found, was a direct economic cost to farmers of $1.1 billion and the loss of nearly 9,000 agricultural jobs. (The Washington Post, March 21, 2022.) Previous work quantified the food-energy-water nexus implications of transitioning vegetable production from large, centralized agricultural operations to smaller distributed production in controlled-environment farms (CEA). The importance of location-specific data is especially evident for water use. Water impacts of the food system are primarily local to the region where food is produced, water impacts vary significantly between locations, and water stress is a major concern in locations that currently host large agricultural operations. Location-specific data is needed to accurately assess the water impacts of transitioning to CEA. The location of farms in relation to consumers impacts transportation energy use, food loss and waste, and requirements for food processing (e.g., to reduce weight, preserve foods for long storage, and package foods to reduce damage and loss) Reducing transport is particularly relevant for agricultural products that could be grown in CEAs (fruits, vegetables, protein). Access to nutritious food is not evenly distributed in the population. Remote communities, communities in harsh environments, and economically-disadvantaged communities often have poor access to healthy foods. CEA is ideally suited to these environments. However, the energy and water use of CEA, while in many respects lower overall than conventional supply chains, are concentrated within communities and could have significant local impacts. This paper reports on development of sustainability metrics that seek to capture the tradeoffs between the current supply chain and a CEA supply chain for vegetables; focusing on the location-dependent implications of water use, the transition from largely fossil fuel based energy use to electricity, and the food access, resilience and wellbeing implications of urban versus rural food production.

controlled-environment agriculture↗

Relative Activities of the β-Ketoacyl-CoA and Acyl-CoA Reductases Influence the Product Profile and Flux in a Reversed β-Oxidation Pathway

The β-oxidation pathway, normally involved in the catabolism of fatty acids, can be functionally made to act as a fermentative, iterative, elongation pathway when driven by the activity of a trans-enoyl-CoA reductase (TER). Here, the terminal acyl-CoA reduction to alcohol can occur on substrates with varied chain lengths, leading to a broad distribution of fermentation products in vivo. Tight control of the average chain length and product profile is desirable, as the chain length greatly influences the molecular properties and the commercial value. Lacking a termination enzyme with a narrow chain length preference, we sought alternative factors that could influence the product profile and pathway flux in the iterative pathway. In this study, we reconstituted the reversed β-oxidation (R-βox) pathway in vitro with a purified tri-functional complex (FadBA) responsible for the thiolase, enoyl-CoA hydratase, and hydroxyacyl-CoA dehydrogenase activities, a TER, and an acyl-CoA reductase. Using this system, we determined the rate-limiting step of the elongation cycle and demonstrated that by controlling the ratio of these three enzymes and the ratio of NADH and NADPH, we can influence the average chain length of the alcohol product profile.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large-Volume Injection and Assessment of Reference Standards for n -Alkane δD and δ 13 C Analysis via Gas Chromatography Isotope Ratio Mass Spectrometry

Compound-specific stable isotope analysis of hydrogen (δD) and carbon (δ 13 C) in organic compounds is a valuable tool in biogeochemical research. A key limitation of this method is the relatively large amount of sample required to achieve desirable precision. We developed a large-volume (20 μL) injection method that allows for high throughput analysis of less concentrated samples and tested it for δ 13 C and δD measurements of n-alkanes. We also conducted a comparison of reference standards and assessed several methods to normalize and correct n-alkane δD and δ13C measurements. The mean precision of the δD method based on 233 environmental n-alkane samples (two to three replications per sample) is 4.0‰ (1σ, estimated from the weighted mean of the pooled unbiased standard deviations) and 0.46‰ (1σ) for δ 13 C from 37 environmental samples (two to three replications per sample). The evaluation of reference standards shows that the use of n-alkane standards with large offsets in δD values in adjacent n-alkane chains can lead to biases in measurement correction. The large-volume injection method shows good reproducibility of δ 13 C and δD measurements of n-alkanes and reduces the required sample concentration by about 80%. We propose that for δD measurements, a reference standard set should be used in which each reference standard has a limited range of δD values and no adjacent n-alkane chains, to minimize memory effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Profitability, Scalability and Optimized Siting for Waste-to-Energy Supply Chains: A Case Study on Hydrothermal Liquefaction

Waste-to-Energy (WtE) conversion technologies have the potential to simultaneously reduce waste volumes, treatment-related emissions, and carbon intensity while producing valuable energy services. However, questions remain regarding under which conditions emerging WtE technologies are feasible to deploy. In this project, we develop an optimized siting method for WtE technologies to assess cost-effective WtE processor locations, throughput scales, and profitability. We apply the model using Hydrothermal Liquefaction (HTL) as an example WtE technology. We develop calibrated capital and operating expense cost curves based on literature data to study the techno-economic characteristics of WtE supply chains. Prior to solving the siting optimization, we analyze the model parameters to describe organic waste management system behavior under four different HTL deployment configurations: Co-Processing, where HTL plants send biocrude to existing conventional refineries via assumed pipelines; Co-Location, where biorefineries are co-located with HTL plants; and two alternative Standalone Biorefining cases, where distributed HTL plants transport biocrude intermediate via either assumed pipelines or trucking to centralized biorefineries. We also define and apply several feedstock gate fee calculations, representing different revenue distribution options, to investigate how bioproduct value could impact WtE supply chain economics in terms of waste producer and processor profit or cost reduction.

09 BIOMASS FUELS↗

Activated relaxation in supercooled monodisperse atomic and polymeric WCA fluids: Simulation and ECNLE theory

Here, we combine simulation and Elastically Collective Nonlinear Langevin Equation (ECNLE) theory to study the activated relaxation in monodisperse atomic and polymeric Weeks–Chandler–Andersen (WCA) liquids over a wide range of temperatures and densities in the supercooled regime under isochoric conditions. By employing novel crystal-avoiding simulations, metastable equilibrium dynamics is probed in the absence of complications associated with size polydispersity. Based on a highly accurate structural input from integral equation theory, ECNLE theory is found to describe well the simulated density and temperature dependences of the alpha relaxation time of atomic fluids using a single system-specific parameter, a c , that reflects the nonuniversal relative importance of local cage and collective elastic barriers. For polymer fluids, the explicit dynamical effect of local chain connectivity is modeled at the fundamental dynamic free energy trajectory level based on a different parameter, N c , that quantifies the degree of intramolecular correlation of bonded segment activated barrier hopping. For the flexible chain model studied, a physically intuitive value of N c ≈ 2 results in good agreement between simulation and theory. A direct comparison between atomic and polymeric systems reveals that chain connectivity can speed up activated segmental relaxation due to weakening of equilibrium packing correlations but can slow down relaxation due to local bonding constraints. The empirical thermodynamic scaling idea for the alpha time is found to work well at high densities or temperatures but fails when both density and temperature are low. The rich and subtle behaviors revealed from simulation for atomic and polymeric WCA fluids are all well captured by ECNLE theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Research note: LED lighting – A global enterprise

There is considerable focus on technology manufacturing locations and the value in funding innovation when upstream products are not manufactured within a domestic economy. Light-emitting diodes (LEDs) are such an upstream product. Here, we evaluate the value added along the supply chain of luminaires, a product that utilizes LEDs, using bottom-up cost modelling. Coupling the results with analysis of shipping cost and time, this analysis examines how advances in LEDs can incentivize LED luminaire adoption leading to the potential for significant domestic manufacturing effects even if the upstream products are produced in other economies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Numerical Approach to Estimate the Ballistic Coefficient of Space Debris from TLE Orbital Data

Low Earth Orbit (LEO) is full of space debris, which consist of spent rocket stages, old satellites and fragments from explosions and collisions. As of 2009, more than 21,000 orbital debris larger than 10 cm are known to exist], and while it is hard to track anything smaller than that, the estimated population of particles between 1 and 10 cm in diameter is approximately 500,000, whereas small as 1 cm exceeds 100 million. These objects orbit Earth with huge kinetic energies speeds usually exceed 7 kms. The shape of their orbit varies from almost circular to highly elliptical and covers all LEO, a region in space between 160 and 2,000 km above sea level. Unfortunately, LEO is also the place where most of our active satellites are situated, as well as, International Space Station (ISS) and Hubble Space Telescope, whose orbits are around 400 and 550 km above sea level, respectively.This poses a real threat as debris can collide with satellites and deal substantial damage or even destroy them.Collisions between two or more debris create clouds of smaller debris, which are harder to track and increase overall object density and collision probability. At some point, the debris density couldthen reach a critical value, which would start a chain reaction and the number of space debris would grow exponentially. This phenomenon was first described by Kessler in 1978 and he concluded that it would lead to creation of debris belt, which would vastly complicate satellite operations in LEO. The debris density is already relatively high, as seen from several necessary debris avoidance maneuvers done by Shuttle, before it was discontinued, and ISS. But not all satellites have a propulsion system to avoid collision, hence different methods need to be applied. One of the proposed collision avoidance concepts is called LightForce and it suggests using photon pressure to induce small orbital corrections to deflect debris from colliding. This method is very efficient as seen from theoretical simulations, even few continuous mode 10 kW ground-based lasers, focused by 1.5 m telescopes with adaptive optics, were enough to prevent significant amount of the debris collisions. Simulations were done by propagating all space objects in LEO by 1 year into the future and checking whether the probability of collision was high. For those space objects different ground-based lasers were used to divert them, afterwards collision probabilities were reevaluated. However, the actual accuracy of the LightForce software, which has been developed at NASA AmesResearch Center, depends on the veracity of the input parameters, one of which is the objects ballistic coefficient. It is a measure of bodys ability to overcome air resistance, which has a significant impact on the debris in LEO, and thus it is responsible for the shape of the trajectory of the debris. Having the exact values of the ballistic coefficient would make significantly better collision predictions, unfortunately, we do not know what are the values for most of the objects.In this research, we were working with part of LightForce code, which estimates the ballistic coefficient from ephemerides. Previously used method gave highly inaccurate values, when compared to known objects, and it needed to be changed. The goal of this work was to try out a different method of estimating the ballistic coefficient and to check whether or not it gives noticeable improvements.

Collisions↗

Fractionation of Lignocellulosic Biomass into High-Value Products - CRADA Report

Idaho National Laboratory (INL) has developed a process for adding value in the biomass feedstock supply chain. The key aspects of this process include: (1) anaerobic and chemical treatment of biomass during storage, (2) fractionation of biomass into conversion-ready feedstock and high-value coproducts, and (3) high-moisture pelleting to increase the bulk density and stabilize the feedstock. The purpose of the chemical treatment is to overcome the recalcitrant nature of the feedstock to improve the biochemical conversion process of breaking down the biomass into sugars. To maximize the utilization of the biomass, the feedstock can be fractionated into hemicellulose and lignin rich fractions. Finally, to increase the materials overall energy density, produce a shelf-stable material, and to facilitate transport, the feedstock is densified in a pelleting process. The first two steps of the processes have been verified at bench scale showing an improvement in theoretical glucose yield from 23.1% to 44.5% and an improvement in theoretical xylose yield from 8.9% to 23.1% from ground corn stover. It is hypothesized that densification will further increase the carbohydrate yield in the sample. The goal of this project was to evaluate the technical feasibility and process economics of the above process and to provide preliminary data to Golden Leaf Energy, Inc to access its potential commercialization for converting biomass to ethanol and renewable chemicals. Corn stover (CS), the largest available agricultural residue, and Chinese tallow (CT), an invasive wood species with no current commercial value, were chosen as feedstocks for this project.

09 BIOMASS FUELS↗

Reactions of CH3, CH3O, and CH3O2 radicals with O3

Ozone was photolyzed at 253.7 nm at 25 and -52 degrees in the presence of CH4 and O2 to measure the reactions of O3 with CH3, CH3O, and CH3O2. The O(1D) atoms produced in the primary photochemical act react with CH4 to give CH3 radicals which in turn can react with O2 to give CH3O2 and CH3O radicals. At very high O2 to O3 concentration ratios, the quantum yield of O3 disappearance approached 1.0, indicating that O3 reactions with CH3O2 and CH3O are slow. Upper limits to the rate coefficients at 25 degrees were computed. At lower values of the concentration ratio, chain decomposition of O3 occurred which could be explained by the reaction of O3 with CH3 radicals to produce CH2O, O2, and H atoms all the time. The two routes to these products are considered, and the preferred reaction channel is found.

Simonaitis, R.↗

Structure, Hydration, and Interactions of Native and Hydrophobically Modified Phytoglycogen Nanoparticles

Phytoglycogen is a highly branched polymer of glucose produced as soft, compact nanoparticles by sweet corn. Properties such as softness, porosity, and mechanical integrity, combined with nontoxicity and biodegradability, make phytoglycogen nanoparticles ideal for applications involving the human body, ranging from skin moisturizing and rejuvenation agents in personal care formulations to functional therapeutics in biomedicine. To further broaden the range of applications, phytoglycogen nanoparticles can be chemically modified with hydrophobic species such as octenyl succinic anhydride (OSA). In this study, we present a self-consistent model of the particle structure, water content, and degree of chemical modification of the particles, as well as the emergence of well-defined interparticle spacings in concentrated dispersions, based on small-angle neutron scattering (SANS) measurements of aqueous dispersions of native phytoglycogen nanoparticles and particles that were hydrophobically modified using octenyl succinic anhydride (OSA) in both its protiated (pOSA) and deuterated (dOSA) forms. Measurements on native particles with reduced polydispersity have allowed us to refine the particle morphology, which is well described by a hairy particle (core-chain) geometry with short chains decorating the surface of the particles. The isotopic variants of OSA-modified particles enhanced the scattering contrast for neutrons, revealing lightly modified hairy chains for small degrees of substitution (DS) of OSA, and a raspberry particle geometry for the largest DS value, where the OSA-modified hairy chains collapse to form small seeds on the surface of the particles. This refined model of native and OSA-modified phytoglycogen nanoparticles establishes a quantitative basis for the development of new applications of this promising sustainable nanotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LORAN-C data reduction at the US Naval Observatory

As part of its mission and in cooperation with the U.S. Coast Guard, the U.S. Naval Observatory (USNO) monitors and reports the timing of the LORAN-C chains. The procedures for monitoring and processing the reported values have evolved with advances in monitoring equipment, computer interfaces and PCs. This paper discusses the current standardized procedures used by USNO to sort the raw data according to Group Repetition Interval (GRI) rate, to fit and smooth the data points, and, for chains remotely monitored, to tie the values to the USNO Master Clock. The results of these procedures are the LORAN time of transmission values, as references to UTC(USNO) (Universal Coordinated Time) for all LORAN chains. This information is available to users via USNO publications and the USNO Automated Data Service (ADS).

Harold Chadsey↗

Supply Chain Research and Analysis for Space Systems

The implementation of NASA GSFC's portfolio of mission projects relies upon inter-connected, multi-tiered supply chains of organizations operating under direct and indirect contracts and other agreements throughout the U.S. and around the world. These supply chains are subject to an inter-related array of technical/production, business, market and security risks that are amplified by the ongoing globalization of industry and technology and which can disrupt or threaten the production and delivery of products and services when needed and in conformance with requirements. In recognition of such risks and associated challenges, GSFC's SMA directorate launched an innovative Supply Chain Research and Analysis capability three years ago to gain greater insight into the operating environment, performance, capabilities and viability of current and prospective suppliers for GSFC projects and proposals. The capability uses business intelligence techniques and primarily open source information resources as part of a cost-effective, non-intrusive methodology to produce several types of research and analysis reports. The reports are based on a holistic analytical framework encompassing key technical/production, business enterprise management, market and security factors, and feature in-depth information, summary information profiles, SWOT (Strengths, Weaknesses, Opportunities, Threats) analysis, and candidate risk concerns in order to pro-actively support SMA and project management needs. The SRA capability, which is designed to complement and support ongoing SMA/project management activities and practices, has produced over 105 reports since its start-up in early 2015.This presentation addresses the approach, methodology and performance of the Supply Chain Research and Analysiscapability and its value in assuring the success of NASA mission projects. In doing so, the presentation provides lessons-learned, best practices, case examples and address how it fits into the development of an enterprise-level Supply Chain Risk Management capability.

supply chain risk management↗

Topological Effects Near Order–Disorder Transitions in Symmetric Diblock Copolymer Melts

The effects of polymer chain topology on the order–disorder transition of symmetric AB diblock copolymer melts are studied using coarse-grained molecular dynamics simulations. Specifically, we compared chain conformations near the lamellar-disordered transition in melts of symmetric (i.e., 50–50) AB diblock copolymers of linear chains, rings, and trefoil knots at the same chain lengths. The order (lamellar)–disorder transition temperature and the domain sizes both shifted to lower values with the introduction of topological constraints, leading to the following sequence: linear chains > rings > trefoil knots. Furthermore, investigation of the polymer chain conformations in terms of their radii of gyration, their writhe values (a measure for the degree of intertwining of a chain around itself), and their Jones polynomials (a method to measure entanglement of curves) showed that linear chains and rings remained stretched, while knots were stretched and tightened in disordered melts close to the lamellar-disorder transition. This work highlights chain topology as an important factor in affecting microphase separation in block copolymers.

36 MATERIALS SCIENCE↗

Fuel Properties of Oxymethylene Ethers with Terminating Groups from Methyl to Butyl

Oxymethylene ethers (OMEs) have been studied as possible additives or replacements for diesel fuels. Typically, studies have considered only methyl-terminated OMEs. Recent structure-property relationship models suggest that extended-alkyl OMEs may provide improvements to many of the properties of methyl-terminated OMEs that make them less suitable as diesel fuel blendstocks. In this work, we describe the synthesis and characterization of 16 different OMEs with methyl, ethyl, propyl, butyl, isopropyl, and isobutyl terminating alkyl groups with varying oxymethylene chain length. Indicated Cetane Number, Lower Heating Value, Flash Point, Density, Viscosity, Vapor Pressure, and Oxidative Stability are tested via ASTM standard methods. Additionally, Water Solubility, Boiling Point, seal material compatibility, and sooting propensity (via the Yield Sooting Index) are measured for these fuels. For diesel compatibility, all tested OMEs except smaller methyl and ethyl OMEs, and the branched isopropyl OME, meet cetane number requirements. Further, extending the alkyl end group increases the heating value, but all OMEs, due to their oxygen content, have heating values less than diesel; despite this, all OMEs show significant reductions in soot production per unit heating value. Only the heaviest OMEs meet diesel viscosity requirements, and most are higher density than diesel. OMEs with larger alkyl groups show the highest stability under accelerated auto-oxidation conditions. Increases in alkyl group length cause order of magnitude reduction in water solubility, from hundreds of g/L for methyl terminated OMEs to hundreds of mg/L for butyl terminated OMEs. Limited seal material testing indicates that PEEK polymers are unaffected by OMEs; while extended alkyl groups may improve compatibility with FKM (Viton), other common elastomers (NBR, silicone) remain incompatible with all tested OMEs. Overall, it is found that methyl-terminated OMEs exhibit the most potential for soot reduction, but OMEs with larger propyl and butyl terminating alkyl groups show improved compatibility with existing diesel systems.

09 BIOMASS FUELS↗