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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Auto Stop-Start Fuel Consumption Benefits

With increasingly stringent regulations mandating the improvement of vehicle fuel economy, automotive manufacturers face growing pressure to develop and implement technologies that improve overall system efficiency. One such technology is an automatic (auto) stop-start feature. Auto stop-start reduces idle time and reduces fuel use by temporarily shutting the engine off when the vehicle comes to a stop and automatically re-starting it when the brake is released, or the accelerator is pressed. As mandated by the U.S. Congress, the U.S. Environmental Protection Agency (EPA) is required to keep the public informed about fuel saving practices. This is done, in partnership with the U.S. Department of Energy (DOE), through the fueleconomy.gov website. The “Fuel-Saving Technologies” and “Gas Mileage Tips” sections of the website are focused on helping the public make informed purchasing decisions and encouraging fuel-saving driving habits. Here, in order to provide users with accurate information about the auto stop-start feature, experiments were conducted to determine its fuel economy effect. Four vehicles were tested both with and without the feature enabled under three test cycles: the Federal Test Procedure (FTP) city fuel economy test, the US06 high acceleration aggressive driving schedule that is often identified as the “Supplemental FTP” driving schedule, and the EPA New York City Cycle (NYCC). The results were compared to measure the fuel economy and consumption effects of using the auto stop-start feature. It was found that the fuel economy improvement varied significantly between drive cycles depending on the amount and percentage of idle time during the test. The largest fuel economy improvements were 7.27% and 26.4% for the FTP and NYCC, respectively.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2012

RENEWABLE ENERGY AND ENVIRONMENTAL SUSTAINABILITY USING BIOMASS FROM DAIRY AND BEEF ANIMAL PRODUCTION

The Texas Panhandle is regarded as the "Cattle Feeding Capital of the World", producing 42% of the fed beef cattle in the United States within a 200-mile radius of Amarillo generating more than 5 million tons of feedlot manure /year. Apart from feedlots, the Bosque River Region in Erath County, just north of Waco, Texas with about 110,000 dairy cattle in over 250 dairies, produces 1.8 million tons of manure biomass (excreted plus bedding) per year. While the feedlot manure has been used extensively for irrigated and dry land crop production, most dairies, as well as other concentrated animal feeding operations (CAFO's), the dairy farms utilize large lagoon areas to store wet animal biomass. Water runoff from these lagoons has been held responsible for the increased concentration of phosphorus and other contaminates in the Bosque River which drains into Lake Waco—the primary source of potable water for Waco's 108,500 people. The concentrated animal feeding operations may lead to land, water, and air pollution if waste handling systems and storage and treatment structures are not properly managed. Manure-based biomass (MBB) has the potential to be a source of green energy at large coal-fired power plants and on smaller-scale combustion systems at or near confined animal feeding operations. Although MBB particularly cattle biomass (CB) is a low quality fuel with an inferior heat value compared to coal and other fossil fuels, the concentration of it at large animal feeding operations can make it a viable source of fuel. The overall objective of this interdisciplinary proposal is to develop environmentally benign technologies to convert low-value inventories of dairy and beef cattle biomass into renewable energy. Current research expands the suite of technologies by which cattle biomass (CB: manure, and premature mortalities) could serve as a renewable alternative to fossil fuel. The work falls into two broad categories of research and development. Category 1 – Renewable Energy Conversion. This category addressed mostly in volume I involves developing. Thermo-chemical conversion technologies including cofiring with coal, reburn to reduce nitrogen oxide (NO, N2O, NOx, etc.) and Hg emissions and gasification to produce low-BTU gas for on-site power production in order to extract energy from waste streams or renewable resources. Category 2 – Biomass Resource Technology. This category, addressed mostly in Volume II, deals with the efficient and cost-effective use of CB as a renewable energy source (e.g. through and via aqueous-phase, anaerobic digestion or biological gasification). The investigators formed an industrial advisory panel consisting fuel producers (feedlots and dairy farms) and fuel users (utilities), periodically met with them, and presented the research results; apart from serving as dissemination forum, the PIs used their critique to red-direct the research within the scope of the tasks. The final report for the 5 to 7 year project performed by an interdisciplinary team of 9 professors is arranged in three volumes: Vol. I (edited by Kalyan Annamalai) addressing thermo-chemical conversion and direct combustion under Category 1 and Vol. II and Vol. III ( edited by J M Sweeten) addressing biomass resource Technology under Category 2. Various tasks and sub-tasks addressed in Volume I were performed by the Department of Mechanical Engineering (a part of TEES; see Volume I), while other tasks and sub-tasks addressed in Volume II and IIII were conducted by Texas AgriLife Research at Amarillo; the TAMU Biological & Agricultural Engineering Department (BAEN) College Station; and West Texas A&M University (WTAMU) (Volumes II and III). The three volume report covers the following results: fuel properties of low ash and high ash CB (particularly DB) and MB (mortality biomass and coals, non-intrusive visible infrared (NVIR) spectroscopy techniques for ash determination, dairy energy use surveys at 14 dairies in Texas and California, cofiring of low quality CB with high quality coal, emission results and ash fouling behavior, using CB as reburn fuel for NOx and Hg reduction, gasification of fuels to produce low quality gases, modeling of reburn, pilot scale test results, synthesis of engineering characterization, geographical mapping, a transportation cost study to determine potential handling and transportation systems for co-firing with coal at regional coal-fired power plants, software analyses for the design of off-site manure, pre-processing and storage systems for a typical dairy farm or beef cattle feedlot, recursive production functions/systems models for both cattle feedlots, systems modeling, stocks and flows of energy involved in the CAFO system, feedback from an Industry Advisory Committee (IAC) to the investigators on project direction and task emphasis and economics of using CB as cofiring and reburn fuel.

09 BIOMASS FUELS↗
DOE OSTI2012

RENEWABLE ENERGY AND ENVIRONMENTAL SUSTAINABILITY USING BIOMASS FROM DAIRY AND BEEF ANIMAL PRODUCTION

The Texas Panhandle is regarded as the "Cattle Feeding Capital of the World", producing 42% of the fed beef cattle in the United States within a 200-mile radius of Amarillo generating more than 5 million tons of feedlot manure/year. Apart from feedlots, the Bosque River Region in Erath County, just north of Waco, Texas with about 110,000 dairy cattle in over 250 dairies, produces 1.8 million tons of manure biomass (excreted plus bedding) per year. While the feedlot manure has been used extensively for irrigated and dry land crop production, most dairies, as well as other concentrated animal feeding operations (CAFO's), the dairy farms utilize large lagoon areas to store wet animal biomass. Water runoff from these lagoons has been held responsible for the increased concentration of phosphorus and other contaminates in the Bosque River which drains into Lake Waco -- the primary source of potable water for Waco's 108,500 people. The concentrated animal feeding operations may lead to land, water, and air pollution if waste handling systems and storage and treatment structures are not properly managed. Manure-based biomass (MBB) has the potential to be a source of green energy at large coal-fired power plants and on smaller-scale combustion systems at or near confined animal feeding operations. Although MBB particularly cattle biomass (CB) is a low quality fuel with an inferior heat value compared to coal and other fossil fuels, the concentration of it at large animal feeding operations can make it a viable source of fuel. The overall objective of this interdisciplinary proposal is to develop environmentally benign technologies to convert low-value inventories of dairy and beef cattle biomass into renewable energy. Current research expands the suite of technologies by which cattle biomass (CB: manure, and premature mortalities) could serve as a renewable alternative to fossil fuel. The work falls into two broad categories of research and development. Category 1 -- Renewable Energy Conversion. This category addressed mostly in volume I involves developing. Thermo-chemical conversion technologies including cofiring with coal, reburn to reduce nitrogen oxide (NO, N2O, NOx, etc.) and Hg emissions and gasification to produce low-BTU gas for on-site power production in order to extract energy from waste streams or renewable resources. Category 2 -- Biomass Resource Technology. This category, addressed mostly in Volume II, deals with the efficient and cost-effective use of CB as a renewable energy source (e.g. through and via aqueous-phase, anaerobic digestion or biological gasification). The investigators formed an industrial advisory panel consisting fuel producers (feedlots and dairy farms) and fuel users (utilities), periodically met with them, and presented the research results; apart from serving as dissemination forum, the PIs used their critique to re-direct the research within the scope of the tasks. The final report for the 5 to 7 year project performed by an interdisciplinary team of 9 professors is arranged in three volumes: Vol. I (edited by Kalyan Annamalai) addressing thermo-chemical conversion and direct combustion under Category 1 and Vol. II and Vol. III ( edited by J M Sweeten) addressing biomass resource Technology under Category 2. Various tasks and sub-tasks addressed in Volume I were performed by the Department of Mechanical Engineering (a part of TEES; see Volume I), while other tasks and sub-tasks addressed in Volume II and IIII were conducted by Texas AgriLife Research at Amarillo; the TAMU Biological & Agricultural Engineering Department (BAEN) College Station; and West Texas A&M University (WTAMU) (Volumes II and III). The three volume report covers the following results: fuel properties of low ash and high ash CB (particularly DB) and MB (mortality biomass and coals, non-intrusive visible infrared (NVIR) spectroscopy techniques for ash determination, dairy energy use surveys at 14 dairies in Texas and California, cofiring of low quality CB with high quality coal, emission results and ash fouling behavior, using CB as reburn fuel for NOx and Hg reduction, gasification of fuels to produce low quality gases, modeling of reburn, pilot scale test results, synthesis of engineering characterization, geographical mapping, a transportation cost study to determine potential handling and transportation systems for co-firing with coal at regional coal-fired power plants, software analyses for the design of off-site manure, pre-processing and storage systems for a typical dairy farm or beef cattle feedlot, recursive production functions/systems models for both cattle feedlots, systems modeling, stocks and flows of energy involved in the CAFO system, feedback from an Industry Advisory Committee (IAC) to the investigators on project direction and task emphasis and economics of using CB as cofiring and reburn fuel.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Endogeneity of pedestrian survival time and emergency medical service response time: Variations across disadvantaged and non-disadvantaged communities

The Vision Zero-Safe Systems Approach prioritizes fast access to Emergency Medical Services (EMS) to improve the survivability of road users in transportation crashes, especially concerning the recent increase in pedestrian-involved crashes. Pedestrian crashes resulting in immediate or early death are considerably more severe than those taking longer. The time gap between injury and fatality is known as survival time, and it heavily relies on EMS response time. The characteristics of the crash location may be associated with EMS response and survival time. A US Department of Transportation initiative identifies communities often facing challenges. Six disadvantaged community (DAC) indicators, including economy, environment, equity, health, resilience, and transportation access, enable an analysis of how survival and EMS response times vary across DACs and non-DACs. To this end, this study created a unique and comprehensive database by linking DACs data with 2017–2021 pedestrian-involved fatal crashes. This study utilizes two-stage residual inclusion models with segmentation for DACs and non-DACs accounting for the endogenous relationship between EMS response and pedestrian survival time. The results indicate that EMS response time is higher and pedestrian survival time is lower in DACs than in non-DACs. A delayed EMS response time is associated with a greater reduction in survival time in DACs compared to non-DACs. Factors, e.g., nighttime and interstate crashes, contribute to higher EMS response time, while pedestrian drugs, driver speeding, and hit-and-run behaviors are associated with a greater reduction in survival time in DACs than non-DACs. Finally, the implications of the findings are discussed in the paper.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Effect of Water Chemistry on Crack Growth Rate in Neutron Irradiated X-750 and XM-19

The Advanced Test Reactor (ATR) National Science User Facility (NSUF) was used to study the effect of neutron damage on crack growth rates (CGR) under simulated boiling water reactor (BWR) water chemistry conditions using a fast neutron spectrum to accelerate the damage process. Nickel based Alloy X-750 and XM-19 were irradiated in the ATR center flux trap (CFT), with this experiment marking the first civilian project to utilize this position within the reactor. 0.4T-CT specimens were used to study crack growth rates for two sample fluences (~1.9 x 1020 n/cm2 and ~9.5 x 1020 n/cm2, E > 1MeV)) in both normal water chemistry (NWC) at 2.5 ppm O2 and hydrogen water chemistry (HWC) at ~80 ppb H2. CGR testing was conducted at a temperature of 288 °C. A decrease in CGR was observed for both alloys with the average ratio (CGR in NWC/CGR in HWC) being a factor of 281 for the XM-19 samples and a factor of 27.8 for the X-750 samples. Observed CGRs in this study showed little difference compared to non-irradiated samples (the non-irradiated XM-19 was 20% cold worked), suggesting limited sensitivity of these susceptible alloys to irradiation effects. Detailed results of CGR response to varying environmental electrochemical potential (ECP) and water purity will be presented in the context of crack growth mitigation in different water chemistries and the change in material behavior relative to non-irradiated samples of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Inventory and Waste Characterization Status Report and OWL Update.

This report represents completion of milestone deliverable M2SF-18SNO10309013 "Inventory and Waste Characterization Status Report and OWL Update that reports on FY2018 activities for the work package (WP) SF-18SNO1030901. This report provides the detailed final information for completed FY2018 work activities for WP SF-18SN01030901, and a summary of priorities for FY2019. This status report on FY2018 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the two planned management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the Beta testing and changes implemented from it. There are two processes being planned in FY2018, which will be implemented in FY2019. One process covers methods for interfacing with the DOE SNF DB (DOE 2007) at INL on the numerous entries for DOE managed SNF, and the other process covers the management of updates to, and version control/archiving of, the OWL database. In FY2018, we have pursued three studies to evaluate/redefine waste form characteristics and/or performance models. First characteristic isotopic ratios for various waste forms included in postclosure performance studies are being evaluated to delineate isotope ratio tags that quantitatively identify each particular waste form. This evaluation arose due to questions regarding the relative contributions of radionuclides from disparate waste forms in GDSA results, particularly, radionuclide contributions of DOE-managed SNF vs HLW glass. In our second study we are evaluating the bases of glass waste degradation rate models to the HIP calcine waste form. The HIP calcine may likely be a ceramic matrix material, with multiple ceramic phases with/without a glass phase. The ceramic phases are likely to have different degradation performance from the glass portion. The distribution of radionuclides among those various phases may also be a factor in the radionuclide release rates. Additionally, we have an ongoing investigation of the performance behavior of TRISO particle fuels and are developing a stochastic model for the degradation of those fuels that accounts for simultaneous corrosion of the silicon carbide (SiC) layer and radionuclide diffusion through it. The detailed model of the TRISO particles themselves, will be merged with models of the degradation behavior(s) of the graphite matrix (either prismatic compacts or spherical "pebbles") containing the particles and the hexagonal graphite elements holding the compacts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Impact of a Mixed Oxide’s Surface Composition and Structure on Its Adsorptive Properties: Case of the (Fe,Cr) 3 O 4 (111) Termination of the α-(Fe,Cr) 2 O 3 (0001) Surface

Characterization of an α-(Fe 0.75 ,Cr 0.25 ) 2 O 3 (0001) mixed oxide single crystal surface was conducted using x-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS), low energy electron diffraction (LEED) and temperature programmed desorption (TPD). After sputter/anneal cleaning in ultra-high vacuum (UHV), the mixed oxide surface became terminated with a magnetite-(111) structure based on the presence of (2x2) spots in LEED and Fe 2+ in XPS. The composition of the surface was close to that of M 3 O 4 based on XPS, with the metal (M) content of Fe 2+/3+ and Cr 3+ being close to 1.4:1, despite the fact that the film’s bulk was 3:1 with respect to the metal cations. The enrichment of the surface with Cr was not altered by high temperature oxidation in UHV, but could be returned to that of the bulk film composition by exposure to the ambient. Adsorption of various probe molecules (NO, O 2 , CO 2 and H 2 O) was used to identify the active cation sites present in the (Fe,Cr) 3 O 4 (111) terminated surface. Although XPS and SIMS both indicated that the near-surface region was enriched in Cr 3+ , no adsorption states typically associated with Cr 3+ sites on α-Cr 2 O 3 single crystal surfaces were detected. Instead, the TPD behaviors of O 2 and CO 2 pointed toward the main active sites being Fe 2+ and Fe 3+ , with O 2 preferentially adsorbing at the former and CO 2 at the latter. NO was observed to bind at both Fe 2+ and Fe 3+ sites, and H 2 O TPD looked nearly identical to that for H 2 O on the Fe 3 O 4 (111) surface. Competition for adsorption sites between coadsorbed combinations of CO 2 , O 2 , H 2 O and NO corroborated these assignments. These results indicate that the surface composition of a mixed oxide can vary significantly from its bulk composition depending on the treatment conditions. Even then, the surface composition does not necessarily provide direct insight into the active adsorption sites. In the case of the (Fe,Cr) 3 O 4 (111) termination of the α-(Fe 0.75 ,Cr 0.25 ) 2 O 3 (0001) surface, Cr 3+ cations in the near-surface region appear to be fully coordinated and unavailable for adsorbing molecules. The authors thank Drs. Sara Chamberlin and Scott Chambers for supplying the film used in this work. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

adsorption↗
DOE OSTI2025

Investigating Quantum Materials with Half-Polarized Diffraction and magnetic PDF analysis at the HB-2A Neutron Powder Diffractometer

Local magnetic ordering and anisotropy is often central to the emergent behavior and subsequent functional properties in quantum materials and beyond. Neutron powder diffraction provides a straightforward yet extremely powerful technique for quantitative measurements of microscopic magnetic properties. The HB-2A powder diffractometer located at the High Flux Isotope Reactor in ORNL is traditionally utilized for long-range magnetic structure determination. Recently these capabilities have been extended to include methods aimed at accessing local magnetism: Half- polarized neutron powder diffraction (pNPD) and magnetic pair distribution function (mPDF) analysis. These two distinct techniques are possible on HB-2A due to the versatility of the instrument’s reciprocal space coverage, resolution and novel ultra-low temperature multi-sample changers that operate down to dilution refrigerator temperatures. This provides unique capabilities not found on any powder diffraction instrument and is particularly well suited to investigations of magnetic quantum materials. The development and implementation of these techniques will be discussed with a series of science case examples ranging from geometric frustrated magnets to magnetic metal-organic frameworks. Data reduction and analysis tools will be presented that enable the extraction of the local site susceptibility tensor and local spin-spin correlations in real space. Finally, potential combinations of these techniques in the form of half-polarized magnetic pair distribution function (pmPDF) analysis will be considered. Looking forward, HB-2A is undergoing a detector upgrade that will be in the user program by 2026. This will offer an order of magnitude increase in count rates to further aid the development of these often low signal measurements and provide new scientific capabilities.

Neutron Scattering↗
DOE OSTI2017

Uncovering the relationships between military community health and affects expressed in social media

Military populations present a small, unique community whose mental and physical health impacts the security of the nation. Recent literature has explored social media's ability to enhance disease surveillance and characterize distinct communities with encouraging results. We present a novel analysis of the relationships between influenza-like illnesses (ILI) clinical data and affects (i.e., emotions and sentiments) extracted from social media around military facilities. Our analyses examine (1) differences in affects expressed by military and control populations, (2) affect changes over time by users, (3) differences in affects expressed during high and low ILI seasons, and (4) correlations and cross-correlations between ILI clinical visits and affects from an unprecedented scale –171M geo-tagged tweets across 31 global geolocations. Key findings include: Military and control populations dier in the way they express affects in social media over space and time. Control populations express more positive and less negative sentiments and less sadness, fear, disgust, and anger emotions than military. However, affects expressed in social media by both populations within the same area correlate similarly with ILI visits to military health facilities. We have identified potential responsible co-factors leading to location variability, e.g., region or state locale, military service type and/or the ratio of military to civilian populations. For most locations, ILI proportions positively correlate with sadness and neutral sentiment, which are the affects most often expressed during high ILI season. The ILI proportions negatively correlate with fear, disgust, surprise, and positive sentiment. These results are similar to the low ILI season where anger, surprise, and positive sentiment are highest. Finally, cross-correlation analysis shows that most affects lead ILI clinical visits, i.e. are predictive of ILI data, with affect-ILI leading intervals dependent on geo-location and affect type. Altogether, information gained in this study exemplifies a usage of social media data to understand the correlation between psychological behavior and health in the military population and the potential for use of social media affects for prediction of ILI cases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

JHR Project: a future Material Testing Reactor working as an International user Facility: The key-role of instrumentation in support to the development of modern experimental capacity

Research and development on fuel and material behaviour under irradiation is a key issue for sustainable nuclear energy in order to meet specific needs by keeping the best level of safety. These needs mainly deal with a constant improvement of performances and safety in order to optimize the fuel cycle and hence to reach nuclear energy sustainable objectives. A sustainable nuclear energy requires a high level of performances in order to meet specific needs such as: - Pursuing improvement of the performances and safety of present and coming water cooled reactor technologies. This will require a continuous R and D support following a long-term trend driven by the plant life management, safety demonstration, flexibility and economics improvement. Experimental irradiations of structure materials are necessary to anticipate these material behaviours and will contribute to their optimisation. - Upgrading continuously nuclear fuel technology in present and future nuclear power plants to achieve better performances and to optimise the fuel cycle keeping the best level of safety. Fuel evolution for generation II, III and III+ is a key stake requiring developments, qualification tests and safety experiments to ensure the competitiveness and safety: experimental tests exploring the full range of fuel behaviour determine fuel stability limits and safety margins, as a major input for the fuel reliability analysis. To perform such accurate and innovative progress and developments, specific and ad hoc instrumentation, irradiation devices, measurement methods are necessary to be set up inside or beside the material testing reactor (MTR) core. These experiments require beforehand in situ and on line sophisticated measurements to accurately determine different key parameters such as thermal and fast neutron fluxes and nuclear heating in order to precisely monitor and control the conducted assays. The new Material Testing Reactor JHR (Jules Horowitz Reactor) currently under construction at CEA Cadarache research centre in the south of France will represent a major Research Infrastructure for scientific studies regarding material and fuel behavior under irradiation. It will also be devoted to medical isotopes production. Hence JHR will offer a real opportunity to perform R and D programs regarding needs above and hence will crucially contribute to the selection, optimization and qualification of these innovative materials and fuels. The JHR reactor objectives, principles and main characteristics associated to specific experimental devices associated to measurement techniques and methodology, their performances, their limitations and field of applications will be presented and discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Development and refinement of an in situ ‘molecular microscope’ utilizing ultrahigh resolution mass spectrometry

The ability to elucidate complex metabolic behavior of living organisms in situ and with cellular resolution is a bioanalytical grand challenge that is yet to be realized. Mass spectrometry imaging (MSI) using laser ablation electrospray ionization mass spectrometry (LAESI) has recently been demonstrated, and holds promise for direct spatially resolved molecular profiling in a variety of living systems of DOE relevance (e.g., plant leaf, stem, and root tissue). The LAESI MSI approach has revealed cell-to-cell heterogeneity of metabolites within living plant tissue, in a multiplexed fashion and without the need for labeling. Cellular resolution by in situ, ambient pressure MSI methods are far from routine, however, and have inadequate spatial resolution for many biological questions of interest. We propose to develop next-generation LAESI approaches, using advanced fiber optics and transmission-based geometries, in efforts to attain dynamic bioanalysis of living systems at better than 20 µm lateral resolution. In parallel with LAESI innovations, attendant increases in sensitivity and dynamic range of the mass spectrometer system will also be necessary for detection of the limited amount of material being ionized. To respond to this need, a new, high magnetic field (21 Tesla) Fourier Transform Ion Cyclotron Resonance (FTICR) MS at the EMSL/PNNL will be coupled with the newly developed LAESI source. This mass spectrometer, currently being assembled, will be one of only two such systems in the world, and the only one in a DOE laboratory or user facility. Fundamentally, all key figures of merits of FTICR MS performance improve with increased magnetic field strength, providing the ability to achieve unparalleled molecular specificity (near unequivocal molecular constituent identification) at the highest possible mass resolving power and sensitivity. The work proposed here will greatly increase the utility of this FTICR MS instrument, providing unique capabilities to support BER-relevant science. The research plan is comprised of three tasks, two of which are directed by the academic leads (University of Missouri and George Washington University), and one of which will be performed in conjunction with the BER user facility at EMSL/PNNL. In task 1, advancements of the LAESI technology will be achieved, with oversight and leadership of Professor Akos Vertes of George Washington University. In task 2, incorporation of this ion source with EMSL’s new 21T FTICR MS system will be undertaken, supplemented by global omics measurements and calibrated against more conventional MSI platforms also available at EMSL (Drs. Pasa-Tolic, Anderton, and Koppenaal team). In the final task, the resultant innovations and advancements will be tested and validated by addressing important BER relevant science questions on model systems of interest under the direction of Professor Gary Stacey of the University of Missouri. This research follows on key recommendations of the recent BER “Research in Sustainable Bioenergy” report that, for example, stressed that “The design of sustainable biofuel systems requires knowledge about key plant-microbe-environment interactions that provide a range of ecosystem services.” This task will focus on validation of the instrumentation developed through this proposal, advertising this capability to the community through demonstration and, finally, discovering new biology relevant to the BER mission. This final objective will make use of Setaria viridis, a model C4 grass species, as well as switchgrass and sorghum, two promising biofuel crops. Specifically, we will demonstrate applicability to plant-microbe rhizosphere interactions focusing on the biological nitrogen fixation by monitoring metabolic changes in real-time with nutrient, growth condition, and other perturbations.

09 BIOMASS FUELS↗
DOE OSTI2020

Distonic radical anion species in cysteine oxidation processes

Oxidation of cysteine residues constitutes an important regulatory mechanism in the function of biological systems. Much of this behavior is controlled by the specific chemical properties of the thiol side-chain group, where reac-tions with reactive oxygen species take place. Herein, we in-vestigated the entire cysteine oxidation cycle Cys-SH ? Cys-SOnH (n = 1, 2, 3) using cryogenic negative ion photoelectron spectroscopy and quantum-chemical calculations. The conven-tional view on the first reversible oxidation step (n = 1) is as-sociated with sulfinate species. Yet our results indicate that an alternative option exists in the form of novel distonic radical anion •OS-CH2CH(NH2)-COO- with an unpaired electron on the thiol group and excess negative charge on the carboxylate. Higher order oxidation states (n = 2, 3) are thought to be asso-ciated with irreversible oxidative damage, and our results show that excess negative charge in those cases migrates to -SOn- group. Furthermore, these species are stable towards 1e oxidation, as opposed to the n = 1 case that undergoes intra-molecular proton transfer. The molecular level insights report-ed in this work provide direct spectroscopic evidences towards unique chemical versatility of Cys-sulfenic acid (Cys-SOH) in post-translational modifications of protein systems. This research was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences (X.-B. W. and M. V.) and was performed at the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory. Z. B. Q. acknowledges additional support from the National Natural Science Foundation of China (Grant No. 21873003 and 21503003) and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) (Grant No. U1501501) and Super Computation of Shenzhen.

Qin, Zhengbo↗
DOE OSTI2018

CRADA Final Report: Weld Predictor App

Welding is an important manufacturing process used in a broad range of industries and market sectors, including automotive, aerospace, heavy manufacturing, medical, and defense. During welded fabrication, high localized heat input and subsequent rapid cooling result in the creation of residual stresses and distortion. These residual stresses can significantly affect the fatigue resistance, cracking behavior, and load-carrying capacity of welded structures during service. Further, additional fitting and tacking time is often required to fit distorted subassemblies together, resulting in non-value added cost. Using trial-and-error methods to determine which welding parameters, welding sequences, and fixture designs will most effectively reduce distortion is a time-consuming and expensive process. For complex structures with many welds, this approach can take several months. For this reason, efficient and accurate methods of mitigating distortion are in-demand across all industries where welding is used. Analytical and computational methods and commercial software tools have been developed to predict welding-induced residual stresses and distortion. Welding process parameters, fixtures, and tooling can be optimized to reduce the HAZ softening and minimize weld residual stress and distortion, improving performance and reducing design, fabrication and testing costs. However, weld modeling technology tools are currently accessible only to engineers and designers with a background in finite element analysis (FEA) who work with large manufacturers, research institutes, and universities with access to high-performance computing (HPC) resources. Small and medium enterprises (SMEs) in the US do not typically have the human and computational resources needed to adopt and utilize weld modeling technology. To allow an engineer with no background in FEA and SMEs to gain access to this important design tool, EWI and the Ohio Supercomputer Center (OSC) developed the online weld application software tool “WeldPredictor” ( https://eweldpredictor.ewi.org ). About 1400 users have tested this application. This project marked the beginning of development on the next version of WeldPredictor that addresses many outstanding features of the original, including 3D models, allow more material hardening laws, model material phase transformation, and uses open source finite element solvers to quickly solve problems (as opposed to expensive commercial tools).

42 ENGINEERING↗
DOE OSTI2019

Early Career: In-situ Monitoring of Dynamic Phenomena during Solidification

Solidification is critical to processes like casting and additive manufacturing and the manufacture of metallic alloy components we use in our everyday lives. State-of-the-art characterization techniques, now available at U.S. DOE User Facilities and in the laboratory, are not only enabling fundamental studies of metallic alloy solidification dynamics, but also in-operando, in-situ deformation, and manufacturing studies. Here we use x-ray, proton, and electron imaging to study solidification dynamics from the micro-scale to the macro-scale, at times ranging from microseconds to minutes. Our experimental results are used to inform, develop, and validate computational models at the same length and time-scales. Integrating in-situ characterization and modeling will yield the prediction and control of metallic alloy solidification dynamics and the creation of microstructures and properties by design with advanced manufacturing. Major research accomplishments during this period include: 1. Exploring dynamical microstructure selection by means of real-time synchrotron x-ray imaging of controlled directional solidification of aluminum alloys and quantitative phase field modeling. 2. In-situ and ex-situ electron microscopy of rapid solidification after laser melting of metallic alloys. 3. Exploring the impact of microstructural heterogeneities that develop during solidification on solid-state phase transitions, with an emphasis on phase growth, (meta)stability, and transition pathways in aluminum alloys. 4. Demonstrations of four-dimensional (three-dimensions plus time) x-ray microscopy during controlled directional solidification and the first quasi-static/dynamic transmission high energy electron microscopy of metallic alloy solidification dynamics. 5. Experiments and modeling of solidification structure evolution and forward modeling and testing of micromechanical behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Home Energy Displays: Consumer Adoption and Response

The focus of this project was to investigate the factors influencing consumer adoption of Home Energy Displays (HEDs) and to evaluate electricity consumption in households with basic HEDs versus enhanced feedback methods - web portals or alerts. We hypothesized that providing flexible and relatable information to users, in addition to a basic HED, would make feedback more effective and achieve persistent energy savings. In Phase I, we conducted three user research studies and found preferences for aesthetically pleasing, easy to understand feedback that is accessible through multiple media and offered free of charge. The deployment of HEDs in 150 households planned for Phase II encountered major recruitment and HED field deployment problems. First, after extensive outreach campaigns to apartment complexes with 760 units, only 8% of building's tenants elected to receive a free HED in their homes as part of the field study. Second, the HED used, a leading market model, had a spectrum of problems, including gateway miscommunications, failure to post to a data-hosting third party, and display malfunctions. In light of these challenges, we are pursuing a modified study investigating the energy savings of a web portal versus alert-based energy feedback instead of a physical HED.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

The National Ignition Facility: The Path to Ignition, High Energy Density Science and Inertial Fusion Energy

The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory (LLNL) in Livermore, CA, is a Nd:Glass laser facility capable of producing 1.8 MJ and 500 TW of ultraviolet light. This world's most energetic laser system is now operational with the goals of achieving thermonuclear burn in the laboratory and exploring the behavior of matter at extreme temperatures and energy densities. By concentrating the energy from its 192 extremely energetic laser beams into a mm{sup 3}-sized target, NIF can produce temperatures above 100 million K, densities of 1,000 g/cm{sup 3}, and pressures 100 billion times atmospheric pressure - conditions that have never been created in a laboratory and emulate those in the interiors of planetary and stellar environments. On September 29, 2010, NIF performed the first integrated ignition experiment which demonstrated the successful coordination of the laser, the cryogenic target system, the array of diagnostics and the infrastructure required for ignition. Many more experiments have been completed since. In light of this strong progress, the U.S. and the international communities are examining the implication of achieving ignition on NIF for inertial fusion energy (IFE). A laser-based IFE power plant will require a repetition rate of 10-20 Hz and a 10% electrical-optical efficiency laser, as well as further advances in large-scale target fabrication, target injection and tracking, and other supporting technologies. These capabilities could lead to a prototype IFE demonstration plant in 10- to 15-years. LLNL, in partnership with other institutions, is developing a Laser Inertial Fusion Energy (LIFE) baseline design and examining various technology choices for LIFE power plant This paper will describe the unprecedented experimental capabilities of the NIF, the results achieved so far on the path toward ignition, the start of fundamental science experiments and plans to transition NIF to an international user facility providing access to researchers around the world. The paper will conclude with a discussion of LIFE, its development path and potential to enable a carbon-free clean energy future.

42 ENGINEERING↗
DOE OSTI2025

Nine Canyon Long-Duration Energy Storage: A Feasibility Study

The Nine Canyon Long Duration Energy Storage (LDES) Feasibility Study explores the technical and economic viability of deploying advanced energy storage technologies at Energy Northwest's (EN) Nine Canyon (9C) Wind Project site in Benton County, Washington. Supported by the Washington State Department of Commerce and the U.S. Department of Energy’s Office of Electricity under its LDES Voucher Program, the study represents a collaborative effort between EN, Pacific Northwest National Laboratory (PNNL), and ARES North America. At the core of this effort is the development of a generalized techno-economic modeling framework and evaluation tool designed to assess the value proposition of LDES projects across a variety of contexts. The modeling tool is technology-agnostic and accommodates user-defined parameters such as rated power, energy duration, round-trip efficiency, capital and operational costs, and dispatch constraints. It also integrates economic inputs, including market prices, energy revenue structures, and financing parameters to evaluate performance through key metrics. The tool provides utilities with a transparent, adaptable platform to support decision-making, investment prioritization, and portfolio planning for various storage technologies. To guide scenario design and interpretation, the study first surveyed the LDES technology landscape, including lithium-ion batteries, flow batteries, non-hydro gravity storage, and thermo-mechanical systems, comparing cost trajectories, technical performance, safety and hazards, materials sourcing and recyclability, and spatial/siting considerations. This literature-grounded review highlights technology trade-offs and reinforces the need to align technology choice with site characteristics, use cases, and project objectives. A companion chapter examines ownership structures (EN ownership, third-party ownership, shared models) and offtake options (energy marketing, capacity/energy PPAs, time-of-use PPAs, block-delivery PPAs, and tolling), where PPAs (power purchase agreements) represent contractual arrangements for buying and selling electricity. The chapter also highlights implications for risk allocation, capital access, operational control, and revenue certainty. The study also evaluates supervisory control and data acquisition (SCADA) and transmission interconnection pathways, options include upgrading the existing SCADA or deploying a dedicated LDES controller, with attention to protection schemes, data telemetry, cybersecurity, and regulatory coordination with BPA. In addition, an ARES-specific geotechnical and hydrology assessment presented in the appendix screens multiple corridors for slope stability, bearing capacity, cut-and-fill magnitude, and stormwater behavior.

25 ENERGY STORAGE↗