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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

GlycReSoft: A Software Package for Automated Recognition of Glycans from LC/MS Data

Glycosylation modifies the physicochemical properties and protein binding functions of glycoconjugates. These modifications are biosynthesized in the endoplasmic reticulum and Golgi apparatus by a series of enzymatic transformations that are under complex control. As a result, mature glycans on a given site are heterogeneous mixtures of glycoforms. This gives rise to a spectrum of adhesive properties that strongly influences interactions with binding partners and resultant biological effects. In order to understand the roles glycosylation plays in normal and disease processes, efficient structural analysis tools are necessary. In the field of glycomics, liquid chromatography/mass spectrometry (LC/MS) is used to profile the glycans present in a given sample. This technology enables comparison of glycan compositions and abundances among different biological samples, i.e. normal versus disease, normal versus mutant, etc. Manual analysis of the glycan profiling LC/MS data is extremely time-consuming and efficient software tools are needed to eliminate this bottleneck. In this work, we have developed a tool to computationally model LC/MS data to enable efficient profiling of glycans. Using LC/MS data deconvoluted by Decon2LS/DeconTools, we built a list of unique neutral masses corresponding to candidate glycan compositions summarized over their various charge states, adducts and range of elution times. Our work aims to provide confident identification of true compounds in complex data sets that are not amenable to manual interpretation. This capability is an essential part of glycomics work flows. We demonstrate this tool, GlycReSoft, using an LC/MS dataset on tissue derived heparan sulfate oligosaccharides. The software, code and a test data set are publically archived under an open source license.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

Reaction nanoscopy of ion emission from sub-wavelength propanediol droplets

Abstract Droplets provide unique opportunities for the investigation of laser-induced surface chemistry. Chemical reactions on the surface of charged droplets are ubiquitous in nature and can provide critical insight into more efficient processes for industrial chemical production. Here, we demonstrate the application of the reaction nanoscopy technique to strong-field ionized nanodroplets of propanediol (PDO). The technique’s sensitivity to the near-field around the droplet allows for the in-situ characterization of the average droplet size and charge. The use of ultrashort laser pulses enables control of the amount of surface charge by the laser intensity. Moreover, we demonstrate the surface chemical sensitivity of reaction nanoscopy by comparing droplets of the isomers 1,2-PDO and 1,3-PDO in their ion emission and fragmentation channels. Referencing the ion yields to gas-phase data, we find an enhanced production of methyl cations from droplets of the 1,2-PDO isomer. Density functional theory simulations support that this enhancement is due to the alignment of 1,2-PDO molecules on the surface. The results pave the way towards spatio-temporal observations of charge dynamics and surface reactions on droplets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Updating Small Generator Interconnection Procedures for New Market Conditions

Federal and state regulators are faced with the challenge of keeping interconnection procedures updated against a backdrop of evolving technology, new codes and standards, and considerably transformed market conditions. This report is intended to educate policymakers and stakeholders on beneficial reforms that will keep interconnection processes efficient and cost-effective while maintaining a safe and reliable power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

Package Equivalent Reactor Networks as Reduced Order Models for Use with CAPE-OPEN Compliant Simulation

Engineering simulations of coal gasifiers are typically performed using computational fluid dynamics (CFD) software, where a 3-D representation of the gasifier equipment is used to model the fluid flow in the gasifier and source terms from the coal gasification process are captured using discrete-phase model source terms. Simulations using this approach can be very time consuming, making it difficult to imbed such models into overall system simulations for plant design and optimization. For such system-level designs, process flowsheet software is typically used, such as Aspen Plus®, where each component where each component is modeled using a reduced-order model. For advanced power-generation systems, such as integrated gasifier/gas-turbine combined-cycle systems (IGCC), the critical components determining overall process efficiency and emissions are usually the gasifier and combustor. Providing more accurate and more computationally efficient reduced-order models for these components, then, enables much more effective plant-level design optimization and design for control.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

Simulink/PARS Integration Support

The state of the art for signal processor hardware has far out-paced the development tools for placing applications on that hardware. In addition, signal processors are available in a variety of architectures, each uniquely capable of handling specific types of signal processing efficiently. With these processors becoming smaller and demanding less power, it has become possible to group multiple processors, a heterogeneous set of processors, into single systems. Different portions of the desired problem set can be assigned to different processor types as appropriate. As software development tools do not keep pace with these processors, especially when multiple processors of different types are used, a method is needed to enable software code portability among multiple processors and multiple types of processors along with their respective software environments. Sundance DSP, Inc. has developed a software toolkit called “PARS”, whose objective is to provide a framework that uses suites of tools provided by different vendors, along with modeling tools and a real time operating system, to build an application that spans different processor types. The software language used to express the behavior of the system is a very high level modeling language, “Simulink”, a MathWorks product. ORNL has used this toolkit to effectively implement several deliverables. This CRADA describes this collaboration between ORNL and Sundance DSP, Inc.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Tailoring next-generation biofuels and their combustion in next-generation engines

Increasing energy costs, the dependence on foreign oil supplies, and environmental concerns have emphasized the need to produce sustainable renewable fuels and chemicals. The strategy for producing next-generation biofuels must include efficient processes for biomass conversion to liquid fuels and the fuels must be compatible with current and future engines. Unfortunately, biofuel development generally takes place without any consideration of combustion characteristics, and combustion scientists typically measure biofuels properties without any feedback to the production design. We seek to optimize the fuel/engine system by bringing combustion performance, specifically for advanced next-generation engines, into the development of novel biosynthetic fuel pathways. Here we report an innovative coupling of combustion chemistry, from fundamentals to engine measurements, to the optimization of fuel production using metabolic engineering. We have established the necessary connections among the fundamental chemistry, engine science, and synthetic biology for fuel production, building a powerful framework for co-development of engines and biofuels.

09 BIOMASS FUELS↗
DOE OSTI2015

Pre-Combustion Carbon Dioxide Capture by a New Dual Phase Ceramic-Carbonate Membrane Reactor

This report documents synthesis, characterization and carbon dioxide permeation and separation properties of a new group of ceramic-carbonate dual-phase membranes and results of a laboratory study on their application for water gas shift reaction with carbon dioxide separation. A series of ceramic-carbonate dual phase membranes with various oxygen ionic or mixed ionic and electronic conducting metal oxide materials in disk, tube, symmetric, and asymmetric geometric configurations was developed. These membranes, with the thickness of 10 μm to 1.5 mm, show CO 2 permeance in the range of 0.5-5×10 -7 mol·m -2 ·s -1 ·Pa -1 in 500-900°C and measured CO 2 /N 2 selectivity of up to 3000. CO 2 permeation mechanism and factors that affect CO 2 permeation through the dual-phase membranes have been identified. A reliable CO 2 permeation model was developed. A robust method was established for the optimization of the microstructures of ceramic-carbonate membranes. The ceramic-carbonate membranes exhibit high stability for high temperature CO 2 separations and water gas shift reaction. Water gas shift reaction in the dual-phase membrane reactors was studied by both modeling and experiments. It is found that high temperature syngas water gas shift reaction in tubular ceramic-carbonate dual phase membrane reactor is feasible even without catalyst. The membrane reactor exhibits good CO 2 permeation flux, high thermal and chemical stability and high thermal shock resistance. Reaction and separation conditions in the membrane reactor to produce hydrogen of 93% purity and CO 2 stream of >95% purity, with 90% CO 2 capture have been identified. Integration of the ceramic-carbonate dual-phase membrane reactor with IGCC process for carbon dioxide capture was analyzed. A methodology was developed to identify optimum operation conditions for a membrane tube of given dimensions that would treat coal syngas with targeted performance. The calculation results show that the dual-phase membrane reactor could improve IGCC process efficiency but the cost of the membrane reactor with membranes having current CO 2 permeance is high. Further research should be directed towards improving the performance of the membranes and developing cost-effective, scalable methods for fabrication of dual-phase membranes and membrane reactors.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Preorganized and Immobilized Ligands for Metal Ion Separations

The research project, in the period 2003-2015, was focused on the discovery of fundamental new principles in f-element ion coordination chemistry and the application of the new knowledge to the development of advanced detection/separations reagents and methods for these ions. The findings relate to the Nation's efforts to safely and efficiently process nuclear materials. In addition, the project provided training for young scientists needed to maintain the Nation's preeminence in nuclear science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Manufacturing Cost Levelization Model – A User’s Guide

The Manufacturing Cost Levelization Model is a cost-performance techno-economic model that estimates total large-scale manufacturing costs for necessary to produce a given product. It is designed to provide production cost estimates for technology researchers to help guide technology research and development towards an eventual cost-effective product. The model presented in this user’s guide is generic and can be tailored to the manufacturing of any product, including the generation of electricity (as a product). This flexibility, however, requires the user to develop the processes and process efficiencies that represents a full-scale manufacturing facility. The generic model is comprised of several modules that estimate variable costs (material, labor, and operating), fixed costs (capital & maintenance), financing structures (debt and equity financing), and tax implications (taxable income after equipment and building depreciation, debt interest payments, and expenses) of a notional manufacturing plant. A cash-flow method is used to estimate a selling price necessary for the manufacturing plant to recover its total cost of production. A levelized unit sales price ($ per unit of product) is determined by dividing the net-present value of the manufacturing plant’s expenses ($) by the net present value of its product output. A user defined production schedule drives the cash-flow method that determines the levelized unit price. In addition, an analyst can increase the levelized unit price to include a gross profit margin to estimate a product sales price. This model allows an analyst to understand the effect that any input variables could have on the cost of manufacturing a product. In addition, the tool is able to perform sensitivity analysis, which can be used to identify the key variables and assumptions that have the greatest influence on the levelized costs. This component is intended to help technology researchers focus their research attention on tasks that offer the greatest opportunities for cost reduction early in the research and development stages of technology invention.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Method development for thermal analyses testing on Reillex HPQ resin using the advanced reactive system screening tool (ARSST)

Reillex™ HPQ resin was developed by Los Alamos Laboratory and Reilly Industries Inc. in an effort to increase safety and process efficiency during the recovery and purification of plutonium. Ionac™ A-641, another strong base macroporous anion exchange resin used in the nuclear industry, was known to undergo a runaway reaction in hot nitric acid solutions. Because of this, an extensive amount of thermal analyses testing on the Reillex™ HPQ resin in SRNL was performed in 1999-2001 prior to use. A report on the thermal stability qualification of the Reillex™ HPQ resin in 8M (35%) and 12M (53%) HNO 3 was reported in 2000. In 2001, the reactivity of Reillex™ HPQ resin in 14.4M (64%) HNO 3 was evaluated. In January of 2001, thermal stability scoping tests were performed on irradiated Reillex™ HPQ resin in 14.4M (64%) HNO 3 (as a worst case scenario) and the results sent to Fauske and Associates to calculate a rupture disk size for the HB-Line resin column. A technical report by Fauske and Associates was issued in February 2001 recommending a 2.0” vent line with a rupture disk set pressure of 60 psig. This calculation was based on ARSST thermal analyses scoping tests at SRNL in which 4 grams of dried resin and 6.0 grams of 64% nitric acid in a 10 gram test cell, produced a maximum pressure rate (dP/dt) of 720 psi/min (12 psi/sec) and a maximum temperature of 250 °C. In 2015, a new batch of Reillex™ HPQ resin was manufactured by Vertellus Industries. A test sample of the resin was sent to SRNL to perform acceptance and qualification thermal stability testing using the ARSST. During these tests, method development was performed to ensure that a representative resin to acid ratios were used while running the tests in the ARSST. Fauske and Associates recommended to either use a full test cell representative of the HB-Line column or a 10 gram sample in the test cell that was representative of the ratios of resin to nitric acid in the actual HB-Line column. An observation was made during method development testing that the 4 grams of resin to 6 grams of 64% acid ratio used in 2001 to determine the rupture disk size did not entirely wet the resin and was not representative of the actual HB-Line column. The results of this study raised questions as to whether the ratio of 4 grams of resin to 6 grams of 64% nitric acid recommended by Fauske and Associates in 2001 was the correct ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ethanol from Agriculture for Arkansas and America

The purpose of this project was to develop technology that would facilitate production of sugars from agricultural residues to enable biofuels and biobased product manufacturing. Our primary technology is to use genetic engineering to put bacterial and fungal cellulase genes into corn kernels, using the grain as the production system for the enzymes. At the beginning of this DoE funded program, we were producing two cellulases—E1 endocellulase from a bacterium found in a hot spring at Yellowstone National Park, and CBH I exocellulase from a wood rot fungus. Our team developed several new regulatory sequences (promoters) that increased enzyme protein accumulation in two kernel compartments (embryo and endosperm). We were also able to capitalize on the diverse genetics of corn to increase protein accumulation. High oil germplasm in particular was instrumental in this increase. A second task in the program was to produce enzymes and proteins that enhanced the activity of the E1 and CBH I enzymes. Our team produced CBH II, from the same wood rot fungus at a level that enabled highly enhanced deconstruction activity of E1 and CBH I in a synergistic manner. We analyzed an additional protein, expansin from cucumber that was expressed in the maize grain expression system. This protein had been previously shown to enhance cellulase activity (D. Cosgrove, Penn State University), and required a large-scale production platform. Our team showed that the corn production system allows industrial amounts of active expansin to be harvested from the grain. One of the challenges of any new production system is to maximize recovery of active ingredient from the raw materials at a cost compatible with its final use. Our team showed that low pH extraction of grain solubilized the enzymes without contamination of native corn protein and active product could be concentrated through ultrafiltration. The final outcomes of this project were the following: 3 cellulase enzymes and the synergistic protein expansin produced at high levels in corn grain, new promoters and combinations of promoters to enhance protein accumulation in grain, application of unique germplasm pools to enhance protein accumulation, and highly efficient processing enabling cost-effective production of cellulases that are highly active in biomass deconstruction.

09 BIOMASS FUELS↗
DOE OSTI2016

High power ring methods and accelerator driven subcritical reactor application

High power proton accelerators allow providing, by spallation reaction, the neutron fluxes necessary in the synthesis of fissile material, starting from Uranium 238 or Thorium 232. This is the basis of the concept of sub-critical operation of a reactor, for energy production or nuclear waste transmutation, with the objective of achieving cleaner, safer and more efficient process than today’s technologies allow. Designing, building and operating a proton accelerator in the 500-1000 MeV energy range, CW regime, MW power class still remains a challenge nowadays. There is a limited number of installations at present achieving beam characteristics in that class, e.g., PSI in Villigen, 590 MeV CW beam from a cyclotron, SNS in Oakland, 1 GeV pulsed beam from a linear accelerator, in addition to projects as the ESS in Europe, a 5 MW beam from a linear accelerator. Furthermore, coupling an accelerator to a sub-critical nuclear reactor is a challenging proposition: some of the key issues/requirements are the design of a spallation target to withstand high power densities as well as ensure the safety of the installation. These two domains are the grounds of the PhD work: the focus is on the high power ring methods in the frame of the KURRI FFAG collaboration in Japan: upgrade of the installation towards high intensity is crucial to demonstrate the high beam power capability of FFAG. Thus, modeling of the beam dynamics and benchmarking of different codes was undertaken to validate the simulation results. Experimental results revealed some major losses that need to be understood and eventually overcome. By developing analytical models that account for the field defects, one identified major sources of imperfection in the design of scaling FFAG that explain the important tune variations resulting in the crossing of several betatron resonances. A new formula is derived to compute the tunes and properties established that characterize the effect of the field imperfections on the transverse beam dynamics. The results obtained allow to develop a correction scheme to minimize the tune variations of the FFAG. This is the cornerstone of a new fixed tune non-scaling FFAG that represents a potential candidate for high power applications. As part of the developments towards high power at the KURRI FFAG, beam dynamics studies have to account for space charge effects. In that framework, models have been installed in the tracking code ZGOUBI to account for the self-interaction of the particles in the accelerator. Application to the FFAG studies is shown. Finally, one focused on the ADSR concept as a candidate to solve the problem of nuclear waste. In order to establish the accelerator requirements, one compared the performance of ADSR with other conventional critical reactors by means of the levelized cost of energy. A general comparison between the different accelerator technologies that can satisfy these requirements is finally presented. In summary, the main drawback of the ADSR technology is the high Levelized Cost Of Energy compared to other advanced reactor concepts that do not employ an accelerator. Nowadays, this is a show-stopper for any industrial application aiming at producing energy (without dealing with the waste problem). Besides, the reactor is not intrinsically safer than critical reactor concepts, given the complexity of managing the target interface between the accelerator and the reactor core.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Manufacturing Technology Development for Visible Color Filters

Sandia National Laboratories (SNL) and Rockwell Collins Inc. (RCI) developed new metallic filters for separating red, green, and blue channels. These designs were not based on traditional absorptive dye layers. This technology is well-established, but difficult to change from pixel to pixel as pixels shrink in size and increase in number. These films are also quite lossy: throwing away needed light in low-light applications. The SNL-RCI technology investigated metal plasmonic filters. These patterns are a single thin layer and the metal pattern may be changed from one pixel to the next simply by varying the metal pattern shape or dimensions. This allows adjacent pixels to view different colors with an efficient processing method and without loss of as much loss as the dye technology.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Big Area Additive Manufacturing (BAAM) Materials Development and Reinforcement with Advanced Composites

Additive manufacturing (AM) by extrusion deposition is rapidly developing as an energy efficient process that greatly reduces development time for new products including vehicle structures. Development of reinforced thermoplastic compounds that are specifically tailored to the AM process and possess the properties necessary for engineering structures is currently underway. This project focused on developing a fundamental understanding of printability by performing a number of polymer characterization tests, initial printability screenings, and basic mechanical property determinations for a number of compounds. Structural evaluations of more complex printed articles were also performed in order to build a database of mechanical performance for validation of structural simulations planned for Phase II. Included in the structural tests were components that were reinforced using a number of methods including over-wrapping with dry fabric and resin infusing to form an advanced composite having the shape of the 3D printed structure. The results indicate a number of factors that affect printability of materials, and initial structural analysis shows that the data generated will be useful for model validation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Weapon Systems Risk-Assessment Tool Review

To anticipate, and potentially mitigate, future problems in aging weapon systems, four unique riskassessment techniques were analyzed, including root-cause analysis tools, six-sigma problemsolving approaches, and lean six-sigma tools. Identifying the most efficient process, or tool, is crucial for successful application to current and future weapon systems, subsystems, and components. The following processes were reviewed: Fault Tree Analysis, Failure Modes and Effects Analysis, Bow-Tie Analysis, and Hazard and Operability Study. A systematic assessment was performed to determine the most desirable method, and included investigating qualitative versus quantitative characteristics, scope, process durations, advantages, and limitations. Presented results will outline the study findings and further illustrate a capacity to identify future issues and/or concerns, and ultimately, reduce risk.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Residential Solar Adoption Timelines and Impacts from the COVID-19 Pandemic

In this study we evaluate PII and other PV adoption timelines from 2017-2021. We use project-level data collected by the National Renewable Energy Laboratory (NREL) for the Solar Time-Based Residential Analytics and Cycle Time Estimator (SolarTRACE). Additionally, we conducted a survey of 171 AHJs about their experiences, challenges, and process changes during the first 18 months of the COVID-19 pandemic. The survey findings were supplemented with follow up interviews with 5 AHJs from 4 states. We find that the pandemic moderately increased the duration and variability of pre-install timelines (contract signing to install), particularly in the permit review phase (permit submit to approval). In contrast, post-install timelines (install to final utility interconnection) continued to decline during the pandemic. The net result is that overall project timelines (contract signing to final interconnection) continued to decline during the pandemic. Our findings suggest that AHJs and installers faced challenges throughout the pandemic but ongoing improvements in PII processes - particularly post-install processes - more than offset these challenges. Furthermore, the pandemic may have catalyzed or accelerated a widespread adoption of online/electronic permitting, among other process efficiency improvements.

14 SOLAR ENERGY↗
DOE OSTI2023

Challenges and Advances in Aqueous Processing of Corn Stover Pellets into High Concentration Slurries

Significant progress has occurred in developing combined enzyme hydrolysis and fermentation technologies for transforming lignocellulosic feedstocks into ethanol and other bioproducts. Various routes described in the literature show that low carbon footprint processes efficiently convert the cellulose and hemicellulose fractions of pretreated corn stover, wood chips, and sugarcane bagasse to sugars and to ethanol.Combinations of different pretreatments at high or low pH or in liquid hot water, followed by enzyme hydrolysis and fermentation or direct conversion of cellulose to ethanol (i.e., by consolidated bioprocessing)have been demonstrated. These successes have brought the need to preparing the feedstock – before it enters the biorefinery – into focus. This paper summarizes recent developments in liquefying corn stover,before pretreatment, so that slurries with yield stresses below 200 Pa are obtained and a “pumpable” corn stover slurry results at initial solids loadings of up to 300 g/L. The manner in which corn stover pellets are combined with water and enzyme in an agitated bioreactor is described, and properties that define slurry behavior are presented. Implications on biorefinery operations are explained in terms of particle properties and the preprocessing of corn stover as well as the team approach used to obtain these results.

Wassgren, Carl↗
DOE OSTI2022

Laser 3D printing of highly compacted protonic ceramic electrolyzer stack

Solid oxide electrolysis cells (SOECs) for H 2 production is a core technology for H2@scale. However, its conventional manufacturing methods adapted from the manufacture of solid oxide fuel cells (SOFC) need high cost, especially for small-volume production. The emerging laser 3D printing (L3DP) technology with computer-aided 3D printing and computer-controlled laser processing can fulfill layer-by-layer digital shaping and rapid in-situ consolidating feedstock into complicated geometries. L3DP, a promising additive manufacturing (AM) technology, has achieved significant success in manufacturing plastic and metal parts, which is currently attracting considerable attention for the cost-effective, rapid, and flexible manufacturing of heterogeneous multilayered ceramic devices (e.g., SOECs, SOFCs, and solid-state batteries). It is believed that the L3DP can integrate the advantages of selective consolidation of heterogeneous layers, accurate control of layer microstructures, high processing heat efficiency, high processing speed, high stack compactness, high stack design flexibility, and low stack sealing area for cost-effective, rapid, and flexible manufacturing of SOECs to meet DOE’s electrolyzer target.

08 HYDROGEN↗