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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Evolved Streptavidin Mutants Reveal Key Role of Loop Residue in High-affinity Binding

We have performed a detailed analysis of streptavidin variants with altered specificity towards desthiobiotin. In addition to changes in key residues which widen the ligand binding pocket and accommodate the more structurally flexible desthiobiotin, the data revealed the role of a key, non-active site mutation at the base of the flexible loop (S52G) which slows dissociation of this ligand by approximately sevenfold. Our data suggest that this mutation results in the loss of a stabilizing contact which keeps this loop open and accessible in the absence of ligand. When this mutation was introduced into the wild-type protein, destabilization of the opened loop conferred a {approx}10-fold decrease in both the on-rate and off-rate for the ligand biotin-4-fluoroscein. A similar effect was observed when this mutation was added to a monomeric form of this protein. Our results provide key insight into the role of the streptavidin flexible loop in ligand binding and maintaining high affinity interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Simplified Pore Network Model for Analysis of Flow Capacity and Residual Oil Saturation Distribution Based on Computerized Tomography

The pore network (connected tunnels) can be used not only to describe pore geometry inside a rock but also to calculate various fluid flow properties on a micro scale. Based on a “digital core” extracted from micro computerized tomography (μ-CT), we have developed a simplified pore network model. This study simplifies the pore structure as a lattice of cubes. Pore size, pore distribution, tunnel connectivity, fluid viscosity, interfacial tension, and the external driving pressure gradient are considered for each adjacent cube to evaluate the flow capacity of the pore network. We calculated the permeability, effective permeability, and effective sweep efficiency. The results show that fluid flow initially starts in the largest tunnel, which corresponds to the threshold pressure of the rock sample (fluid flow onset pressure). Permeability changes nonlinearly before all the tunnels are involved in the flow. Changes in the microscopic residual oil saturation and the sweep efficiency were visualized based on the three-dimensional pore distribution. Visualization shows that more oil remains in the formation, the heterogeneity is greater, and the oil viscosity is higher.

58 GEOSCIENCES↗
DOE OSTI2018

Completely Bio-based Polyol Production from Sunflower Stalk Saccharification Lignin Residue via Solvothermal Liquefaction Using Biobutanediol Solvent and Application to Biopolyurethane Synthesis

Sunflower stalk saccharification lignin residue was converted to a completely bio-based biopolyol via solvothermal liquefaction using acid catalyst. Different isomer-type biobutanediols were used to replace petroleum-derived reaction solvents. The reaction parameters were optimized according to measurement of the biomass conversion and the hydroxyl and acid numbers. The lignin-derived biopolyol with a biomass conversion of 80.1%, hydroxyl number of 819.0 mg KOH/g, and acid number of 26.5 mg KOH/g was produced in the optimal condition (reaction temperature of 120 °C, 4 wt% acid catalyst loading, reaction time of 120 min, and 25 wt% biomass loading). The lignin-derived biopolyol was neutralized to decrease the acid number. The neutralized biopolyol was used to synthesize biopolyurethane via polymerization with poly(propylene glycol), tolylene 2,4-diisocyanate terminated. Urethane bond formation was confirmed by FT-IR analysis. The biopolyurethane showed good thermal properties, such as a T{sub d5} of 273.4 °C, T{sub d10} of 305.8 °C, and a single degradation peak at 387.2 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Residual Stress Measurements in Extreme Environments for Hazardous, Layered Specimens

In nuclear fuel plates of low-enriched U-10Mo (LEU) clad with aluminum by hot isostatic pressing (HIP), post-irradiation stresses arising during reactor shutdown are a major concern for safe reactor operations. Measurement of those residual stresses has not previously been possible because the high radioactivity of the plates requires handling only by remote manipulation in a hot cell. The incremental slitting method for measuring through-thickness stress profiles was modified, and a system for automated, remote operation was built and tested. Experimental modifications consisted of replacing electric-discharge machining (EDM) with a small end mill and strain-gauge measurements with cantilever displacement measurements. The inverse method used to calculate stresses was the pulse-regularization method modified to allow discontinuities across material interfaces. The new system was validated by comparing with conventional slitting on a depleted U-10Mo (DU) fuel plate. The new system was applied to two measurements each on six as-fabricated (pre-irradiation) LEU miniature fuel plates. Variations between the measurements at two locations in the same plate were strongly correlated with measured geometrical heterogeneity in the plate—a tilt in the fuel foil. Compressive stresses in the U-10Mo were shown to increase from 20 to 250 MPa as the ratio of aluminum thickness to U-10Mo thickness increased causing increased constraint during cooling. Faster cooling rates during processing also increased stress magnitudes. The measurements trends agreed with data in the literature from similar plates made with DU, which further validates the method. Because other methods are impractical in a hot cell, the modified slitting method is now poised for the first measurements of post-irradiation stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Numerical Simulation of Residual Stress for Laser Welding of Ti-6Al-4V Alloy Considering Solid-State Phase Transformation

In the present work, a thermal-metallurgical-mechanical model which considered the influence of phase transformation was used to predict the residual stress field of Ti-6Al-4V after laser welding. In this model, the Johnson–Mehl–Avrami equation was used to predict diffusional solid-state phase transformations: α phase to β phase during heating and β phase to α phase during cooling. The Koistinen–Marburger equation was used to predict diffusionless solid-state phase transformation of β phase to martensite during cooling. The properties of material were obtained using a mixing rule based on the phase fraction and the property of each pure phase. By applying this model, the effect of solid-state phase transformations of Ti-6Al-4V alloy on temperature field and stress field during laser welding was considered in the simulation. In addition, experiments were carried out for comparison, which significantly verified the accuracy of the applied model.

36 MATERIALS SCIENCE↗
DOE OSTI2012

The value of post-extracted algae residue

This paper develops a hedonic pricing model for post-extracted algae residue (PEAR), which can be used for assessing the economic feasibility of an algal production enterprise. Prices and nutritional characteristics of commonly employed livestock feed ingredients are used to estimate the value of PEAR based on its composition. We find that PEAR would have a value lower than that of soybean meal in recent years. The value of PEAR will vary substantially based on its characteristics. PEAR could have generated algal fuel co-product credits that in recent years would have ranged between $0.95 and $2.43 per gallon of fuel produced.

09 BIOMASS FUELS↗
DOE OSTI2015

Direct determination of the redox status of cysteine residues in proteins in vivo

Highlights: • A new DNA-maleimide which is cleaved by UV irradiation, DNA-PCMal, was developed. • DNA-PCMal can be used like DNA-Mal to analyze the redox state of cysteine residues. • It is useful for detecting the thiol redox status of a protein in vivo by Western blotting method. • Thus, DNA-PCMal can be a powerful tool for redox proteomics analysis. - Abstract: The redox states of proteins in cells are key factors in many cellular processes. To determine the redox status of cysteinyl thiol groups in proteins in vivo, we developed a new maleimide reagent, a photocleavable maleimide-conjugated single stranded DNA (DNA-PCMal). The DNA moiety of DNA-PCMal is easily removed by UV-irradiation, allowing DNA-PCMal to be used in Western blotting applications. Thereby the state of thiol groups in intracellular proteins can be directly evaluated. This new maleimide compound can provide information concerning redox proteins in vivo, which is important for our understanding of redox networks in the cell.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Tracking protons from respiratory chain complexes to ATP synthase c-subunit: The critical role of serine and threonine residues

F{sub 1}F{sub o}-ATP synthase is a multisubunit enzyme responsible for the synthesis of ATP. Among its multiple subunits (8 in E. coli, 17 in yeast S. cerevisiae, 16 in vertebrates), two subunits a and c are known to play a central role controlling the H{sup +} flow through the inner mitochondrial membrane which allows the subsequent synthesis of ATP, but the pathway followed by H{sup +} within the two proteins is still a matter of debate. In fact, even though the structure of ATP synthase is now well defined, the molecular mechanisms determining the function of both F{sub 1} and F{sub O} domains are still largely unknown. In this study, we propose a pathway for proton migration along the ATP synthase by hydrogen-bonded chain mechanism, with a key role of serine and threonine residues, by X-ray diffraction data on the subunit a of E. coli Fo.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Comparative net energy ratio analysis of pellet produced from steam pretreated biomass from agricultural residues and energy crops

Here, a process model was developed to determine the net energy ratio (NER) for production of pellets from steam pretreated agricultural residue (AR) and energy crop (i.e. switchgrass in this case). The NER is a ratio of the net energy output to the total net energy input from non-renewable energy sources into a system. Scenarios were developed to measure the effects of temperature and level of steam pretreatment on the NER of steam pretreated AR- and switch grass-based pellets. The NER for the base case at 6 kg h -1 is 1.76 and 1.37 for steam-pretreated AR- and switchgrass-based pellets, respectively. The reason behind the difference is that more energy is required to dry switchgrass pellets than AR pellets. The sensitivity analysis for the model shows that the optimum temperature for steam pretreatment is 160 C with 50% pretreatment (half the feedstock is pretreated, while the rest is undergoes regular pelletization). The uncertainty results for NER for steam pretreated AR and switch grass pellets are 1.62 ± 0.10 and 1.42 ± 0.11, respectively.

09 BIOMASS FUELS↗
DOE OSTI2017

Co-production of bio-ethanol, xylonic acid and slow-release nitrogen fertilizer from low-cost straw pulping solid residue

In this paper, a novel bio-refinery sequence yielding varieties of co-products was developed using straw pulping solid residue. This process utilizes neutral sulfite pretreatment which under optimal conditions (160 °C and 3% (w/v) sulfite charge) provides 64.3% delignification while retaining 90% of cellulose and 67.3% of xylan. The pretreated solids exhibited excellent enzymatic digestibility, with saccharification yields of 86.9% and 81.1% for cellulose and xylan, respectively. After pretreatment, the process of semi-simultaneous saccharification and fermentation (S-SSF) and bio-catalysis was investigated. The results revealed that decreased ethanol yields were achieved when solid loading increased from 5% to 30%. An acceptable ethanol yield of 76.8% was obtained at 20% solid loading. After fermentation, bio-catalysis of xylose remaining in fermentation broth resulted in near 100% xylonic acid (XA) yield at varied solid loadings. Finally, to complete the co-product portfolio, oxidation ammoniation of the dissolved lignin successfully transformed it into biodegradable slow-release nitrogen fertilizer with excellent agricultural properties.

09 BIOMASS FUELS↗
DOE OSTI2022

Coupling AFEX and steam-exploded sugarcane residue pellets with a room temperature CIIII-activation step lowered enzyme dosage requirements for sugar conversion

In this study, the potential integration of steam explosion (StEx) and ammonia fiber expansion (AFEX) with existing sugar/ethanol mills to form decentralized pre-processing depots was explored. Both StEx and AFEX pretreatment facilitated the production of sugarcane bagasse (SCB) and cane leaf matter (CLM) pellets with significantly higher bulk density, mechanical durability, and hydrophobicity relative to their untreated biomass pellet controls. However, ethanol production from standalone StEx and AFEX-treated SCB and CLM pellets required enzyme dosages greater than 21 mg/g glucan to achieve enzymatic hydrolysis sugar yields of 75% and ethanol titres greater than 40 g.L -1 . Coupling AFEX-treated SCB or CLM pellets with a room temperature CIII I -activation step using liquid ammonia lowered enzyme dosage requirements by more than 50% without affecting ethanol titers and production yields (greater than300 L per Mg residual dry matter raw dry biomass (RDM)). In contrast, treating StEx-treated pellets with CIIII-activation using liquid ammonia did not result in similar enzyme dosage reductions, due to pseudo-lignin formation, leading to enzyme deactivation and/or lignin blockage that retarded enzymatic hydrolysis at low enzyme dosages. A gross energy conversion assessment revealed that low enzyme dosage (3-4 mg enzyme/g RDM) ethanol and electricity co-production from AFEX and CIII I -activated SCB and CLM can recover up to 73% of the energy in the untreated biomass, compared to 54% recovered by StEx and CIII I -activation. The results from this work suggest that StEx or AFEX based pre-processing depots can produce dense and mechanically durable biomass pellets. The AFEX-treated pellets can be easily upgraded using a room temperature CIII I -activation step at the biorefinery to significantly reduce bioconversion enzymes.

42 ENGINEERING↗
DOE OSTI2019

Measurement and prediction of through-section residual stresses in the manufacturing sequence of bearing components

Through-section residual stresses in an asymmetric, thin-walled tapered bearing component were non-destructively studied via neutron diffraction after soft machining, heat treatment and hard turning. Two-dimensional area maps revealed non-uniform distributions of stress fields in both the thinnest and thickest sections of the component, indicating that the entire processing sequence plays a vital role — not only in distortion, but in the final stress state as well. Here, a computational model was developed to further understand the extent of the distortion induced in bearing components as a result of process variables in the manufacturing sequence.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Learning high-dimensional parametric maps via reduced basis adaptive residual networks

We propose a scalable framework for the learning of high-dimensional parametric maps via adaptively constructed residual network (ResNet) maps between reduced bases of the inputs and outputs. When just few training data are available, it is beneficial to have a compact parametrization in order to ameliorate the ill-posedness of the neural network training problem. By linearly restricting high-dimensional maps to informed reduced bases of the inputs, one can compress high-dimensional maps in a constructive way that can be used to detect appropriate basis ranks, equipped with rigorous error estimates. A scalable neural network learning framework is thus to learn the nonlinear compressed reduced basis mapping. Unlike the reduced basis construction, however, neural network constructions are not guaranteed to reduce errors by adding representation power, making it difficult to achieve good practical performance. Inspired by recent approximation theory that connects ResNets to sequential minimizing flows, we present an adaptive ResNet construction algorithm. This algorithm allows for depth-wise enrichment of the neural network approximation, in a manner that can achieve good practical performance by first training a shallow network and then adapting. We prove universal approximation of the associated neural network class for $L^2_v$ functions on compact sets. Our overall framework allows for constructive means to detect appropriate breadth and depth, and related compact parametrizations of neural networks, significantly reducing the need for architectural hyperparameter tuning. Numerical experiments for parametric PDE problems and a 3D CFD wing design optimization parametric map demonstrate that the proposed methodology can achieve remarkably high accuracy for limited training data, and outperformed other neural network strategies we compared against.

42 ENGINEERING↗
DOE OSTI2023

Evaluation of dual-weighted residual and machine learning error estimation for projection-based reduced-order models of steady partial differential equations

Projection-based reduced-order models (pROMs) show great promise as a means to accelerate many-query applications such as forward error propagation, solving inverse problems, and design optimization. In order to deploy pROMs in the context of high-consequence decision making, accurate error estimates are required to determine the region(s) of applicability in the parameter space. The following paper considers the dual-weighted residual (DWR) error estimate for pROMs and compares it to another promising pROM error estimate, machine learned error models (MLEM). Here, we show how DWR can be applied to ROMs and then evaluate DWR on two partial differential equations (PDEs): a two-dimensional linear convection–reaction–diffusion equation, and a three-dimensional static hyper-elastic beam. It is shown that DWR is able to estimate errors for pROMs extrapolating outside of their training set while MLEM is best suited for pROMs used to interpolate within the pROM training set.

42 ENGINEERING↗
DOE OSTI2024

Residual resistance ratio measurement system for Nb 3 Sn wires extracted from Rutherford cables

Residual resistance ratio (RRR) of superconducting strands is an important parameter for magnet electrical stability. RRR serves as a measure of the low-temperature electrical conductivity of the copper within a conductor that has a copper stabilization matrix. For Nb 3 Sn, due to the need of a reaction heat treatment, the technical requirements for high quality measurements of strands extracted from Rutherford cables are particularly demanding. Quality of wire, cabling deformation, heat treatment temperature, heat treatment atmosphere, sample handling, and measurement methods can all affect the RRR. Therefore, as an integral part of the electrical quality control (QC) of Nb 3 Sn Rutherford cables manufactured at the Lawrence Berkeley National Laboratory, it was prudent that we established a RRR measurement system that can isolate the assessment of cable-fabrication-related impacts from sample preparation and measurement factors. Here we describe a bespoke cryocooler-based measurement system, capable of measuring RRR of over 80 samples in a single cooldown. The samples are mounted on custom-designed printed circuit boards that accommodate the shape of strands extracted from a Rutherford cable without added deformation, which we will show is critical in ensuring that the measurements accurately represent the RRR values of the conductor within the cable. Using this sample mounting solution, we routinely measure the overall RRR of the strand as well as individual intra-strand sections corresponding to both cable edges and cable broad faces with high reproducibility. Such measurements provide valuable information on the variation of RRR along the length of the strands as well as across strand productions and cable runs over time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Accumulation of coal combustion residues and their immunological effects in the yellow-bellied slider ( Trachemys scripta scripta )

Anthropogenic activities such as industrial processes often produce copious amounts of contaminants that have the potential to negatively impact growth, survival, and reproduction of exposed wildlife. Coal combustion residues (CCRs) represent a major source of pollutants globally, resulting in the release of potentially harmful trace elements such as arsenic (As), cadmium (Cd), and selenium (Se) into the environment. In the United States, CCRs are typically stored in aquatic settling basins that may become attractive nuisances to wildlife. Trace element contaminants, such as CCRs, may pose a threat to biota yet little is known about their sublethal effects on reptiles. To assess the effects of CCR exposure in turtles, we sampled 81 yellow-bellied sliders (Trachemys scripta scripta) in 2014-2015 from CCR-contaminated and uncontaminated reference wetlands located on the Savannah River Site (Aiken, SC, USA). Specific aims were to (1) compare the accumulation of trace elements in T. s. scripta claw and blood samples between reference and CCR-contaminated site types, (2) evaluate potential immunological effects of CCRs via bacterial killing assays and phytohaemagglutinin (PHA) assays, and (3) quantify differences in hemogregarine parasite loads between site types. Claw As, Cd, copper (Cu), and Se (all p ≤ 0.001) and blood As, Cu, Se, and strontium (Sr; p ≤ 0.015) were significantly elevated in turtles from CCR-contaminated wetlands compared to turtles from reference wetlands. Turtles from reference wetlands exhibited lower bacterial killing (p = 0.015) abilities than individuals from contaminated sites but neither PHA responses (p = 0.566) nor parasite loads (p = 0.980) differed by site type. Despite relatively high CCR body burdens, sliders did not exhibit apparent impairment of immunological response or parasite load. Additionally, the high correlation between claw and blood concentrations within individuals suggests that nonlethal tissue sampling may be useful for monitoring CCR exposure in turtles.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Measurement-driven, model-based estimation of residual stress and its effects on fatigue crack growth. Part 1: Validation of an eigenstrain model

The objective of this paper is to validate a measurement-driven, model-based approach to estimate residual stress (RS) in samples machined from quenched aluminum stock. Model input is derived from measurement of RS in the parent stock. Validation is performed for prismatic T-sections removed from bars at different locations. We find RS predicted agrees with RS measured, by contour and neutron diffraction methods, with root-mean-square model-measurement difference of 22 MPa. Follow-on work (in Part 2) applies the RS estimation to samples representative of aircraft structures and examines the effects of RS on fatigue crack growth in the RS-bearing samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Conversion of Loblolly pine biomass residues to bio-oil in a two-step process: Fast pyrolysis in the presence of zeolite and catalytic hydrogenation

In this work, Loblolly pine biomass residue was converted to bio-oil in a two-step process, consisting of 1) fast pyrolysis in the presence of zeolite ZSM-5 as a catalyst to produce pyrolysis oil, 2) hydrogenation of pyrolysis oil using formic acid as the hydrogen source in presence of Ru/activated carbon catalyst. Pyrolysis oils were analyzed by 13 C, 31 P and HSQC-NMR and the results revealed that the zeolite-induced catalytic fast pyrolysis process led to effective demethoxylation, producing more catechol and p-hydroxy-phenyl hydroxyl groups in the bio-oils, resulting in a decrease in the methoxyl group content by about 85 % and rich aromatic structures in the pyrolysis oils. The properties of pyrolysis oil with and without zeolite were in the bio-oil range. Hydrogenated pyrolysis oil showed that 79 % of the aromatic protons are eliminated and 87 % of protons are aliphatic in nature, with no oxygen attached to the α-carbon.

09 BIOMASS FUELS↗