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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Spray Combustion and Soot Formation

Mitigating particulate matter (PM) emissions while simultaneously controlling nitrogen oxide and hydrocarbon emissions is critical for both gasoline and diesel engines. The problem is especially critical during cold-start cycles where aftertreatment devices are less effective. Understanding how liquid sprays and films form PM and designing to change the outcome requires advanced combustion concepts developed through joint experimental and computational efforts. However, existing spray and soot computational models are oversimplified and non-physical, and are therefore unable to reliably capture quantitative or even qualitative trends over a wide range of engine operating conditions. This task involves the development and application of advanced optical diagnostics and high-pressure gas and particle sampling/analysis in unique high-temperature, high-pressure vessels to investigate spray dynamics and soot formation with the objective of providing fundamental understanding about soot processes under relevant engine conditions to aid the development of improved soot models for commercial CFD codes

02 PETROLEUM↗
DOE OSTI2020

Brief Overview of the ASD Integrated Test Stand, Activities and Hazards

The ITS venue provides the first opportunity to fully assemble and test the performance of the injector; integrate, assemble and test four modules; measure the severity of the Beam Break-Up instability and perform the first set of beam measurements. Figure 1 shows a high level configuration of the ITS without the system of overhead cable management trays. The final configuration will integrate the injector, 4 modules (12 accelerator cells), 264 SSPP Line Replaceable Units (LRUs), global controls, data acquisition, and a subset of the downstream transport, Table 1. This was chosen because it provides the minimum accelerator cells required to measure the Beam Break-Up (BBU) instability and perform measurements required to validate the ASD beam transport computer models, which are priority measurements for commissioning.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Complete Round-Robin Hydrogen Gas Analysis Capability Comparison (Milestone 2.6)

The Department of Energy (DOE) is currently evaluating strategies for the extended dry storage of aluminum-clad spent nuclear fuel (ASNF). Part of this assessment concerns the extent of radiolytic molecular hydrogen (H2) generation from the aluminum cladding’s oxyhydroxide corrosion layers. Understanding this radiation-induced process and the factors effecting it (e.g., system conditions such as temperature and gaseous environment) are essential for the development of predictive computer models to support the Technical Considerations and Challenges for Extended (> 50 yrs) Dry Storage of ASNF program. To achieve this goal and ensure that the experimental data gathered by Task 2 (Oxyhydroxide Layer Radiolytic Gas Generation Resolution) research groups (Idaho National Laboratory and Savannah River National Laboratory) are consistent, a round-robin H2 analysis capability comparison was initiated. Here we present the results from said round-robin and conclude that despite differences in sample preparation, irradiation parameters, and analytical procedures, the measured data are sufficiently consistent between the two laboratories (= 15%).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Hydrogen isotope fractionation using graphene and related 2-D materials. Final report

This report provides a final technical report and listing of products from the research on a research project from Clemson university, focused on use of two-dimensional materials within membranes to accomplish hydrogen ion separations. The project used CVD graphene and related 2D materials to accomplish hydrogen / deuterium / tritium (H/D/T) separation during water electrolysis in proton-exchange-membrane (PEM)-style cells. 2D materials were incorporated into PEM cells at varying places with the aim of accomplishing isotopic sieving through 2D materials by selective hydron transport at high rates and with high selectivity. The project work scope included studies on H/D separation with small-scale cells at Clemson, collaborative work between Clemson and SRNL on computational modeling and tritium separations, and issues associated with scaleup.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Systems Engineering Approach for Design and Implementation of a Gas Breech for Actinide Experiments at the JASPER Facility

The Joint Actinide Shock Physics Experimental Research (JASPER) Facility is located approximately 65 miles north of Las Vegas, Nevada at the Nevada National Security Site (NNSS). The primary mission is to conduct shock physics research on actinide materials in support of NNSA’s Stockpile Stewardship Program. JASPER experiment uses a two-stage light gas gun to accelerate projectiles into targets at velocities up to 8 km/s (17,000 mph). The first stage uses an ignited propellent to drive a piston to compress gas in the pump tube. At the second stage, the gas compression exceeds a specified pressure and a rupture valve at the end of the pump tube opens. This launches a projectile to impact the target. The target is housed inside the target assembly and the debris field is contained inside the primary target chamber (PTC). The PTC is placed inside the secondary confinement chamber (SCC) as an added protection against possible contamination. These major components are illustrated in Figure 1.JASPER is capable of generating and measuring data on the properties of radioactive chemical elements at high shock pressures, temperatures, and strain rates approximating the conditions in nuclear weapons by using a two-stage gas gun. The data is used to determine material equations-of-state and validate computer models of material response. The work advances predictive capability, thus ensuring confidence in the nuclear stockpile.

42 ENGINEERING↗
DOE OSTI2021

Intelligent Monitoring Systems and Advanced Well Integrity and Mitigation

Long-term seismic monitoring of carbon capture and storage projects is needed to verify that the injected gas is safely stored in the subsurface until permanence can be assured. Conventional surface seismic monitoring techniques are usually expensive, require highly invasive surface operations, and need significant time investments on the part of personnel for both the field effort and processing the acquired data. For these reasons, permanent reservoir monitoring technologies are preferred, as they can offer a cost-effective solution for long-term monitoring. As part of the monitoring program of the Archer Daniels Midland’s large-scale injection of CO 2 in Decatur, Illinois, USA, a continuous seismic monitoring array was installed using a combination of surface orbital vibrator (SOV) sources and fiber-optic cables for distributed acoustic sensing (DAS) acquisition with the objective to build a continuous monitoring array. The aim of the presented project was to build a monitoring array and platform that integrates real-time seismic data with conventional data streams and provides continuous data analysis using dynamic computational models to deliver a comprehensive real-time assessment of subsurface conditions. It is in this context that the Intelligent Monitoring Systems and Advanced Well Integrity and Mitigation project was proposed with the objective to develop an integrated architecture that utilizes a permanent seismic monitoring network, combines the real-time geophysical and process data with reservoir flow and geomechanical models to create a comprehensive monitoring, visualization, and control system that delivers critical information for process surveillance and optimization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Highly Ordered Hierarchical Anodes for Extreme Fast Charging Batteries (Final Report)

The goal of this project is to enable extreme fast charging (XFC) of Li-ion batteries, which was accomplished through a combination of 1) rational design and manufacturing of hierarchically structured anode architectures; 2) blending graphite/hard carbon into a bulk hybrid anode; 3) engineering artificial solid-electrolyte interphase (SEI) coatings with reduced interphase impedance; 4) computational modeling of coupled transport, kinetic, and electrochemical phenomena; and 5) improved fundamental understanding of lithium plating through operando analysis. This work integrated structural, compositional, and surface modification of graphite anodes, multi-physics modeling of ion transport, electrochemical activity, and heat transfer, advanced strategies to detect Li plating, and semi-automated roll-to-roll cell assembly. The unique facilities at the University of Michigan (UM) and Sandia National Laboratories (SNL) were leveraged to manufacture, prototype, and characterize commercially relevant >2Ah and >180 Wh/kg cells with a target of <20% capacity fade over 500 XFC cycles.

25 ENERGY STORAGE↗
DOE OSTI2021

Multi-Resolution Characterization of the Coupling Effects of Molten Salts, High Temperature and Irradiation on Intergranular Fracture

This project focused on providing a fundamental physico-chemical understanding of the coupling mechanisms of corrosion- and radiation-induced degradation at material-salt interfaces in Ni-based alloys operating in emulated Molten Salt Reactor(MSR) environments through the use of a unique suite of aging experiments, in-situ nanoscale characterization experiments on these materials, and multi-physics computational models. The technical basis and capabilities described in this report bring us a step closer to accelerate the deployment of MSRs by closing knowledge gaps related to materials degradation in harsh environments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Understanding the TiH (2-x) /TiO y System at Elevated Temperature: A Literature Review

Titanium hydride of varying TiH stoichiometry is used in pyrotechnic compositions. In order to yield consistent performance, manufacturing processes must be developed to ensure precise and reproducible material properties, including composition and morphology. Legacy synthesis protocols are not comprehensive nor are the required apparatuses still available. To guide the development of novel production procedures, this report reviews literature on relevant chemical reactions and diffusion events occurring at elevated temperature in the TiH (2-x) /TiO y system. Titanium hydride exposed to air spontaneously forms a passivating oxide layer. Upon heating, significant hydrogen release, which is accompanied by changes to the surface oxide layer, is noted by 375–400°C. At higher temperatures (above about 500°C) the oxide layer is reported to be essentially nonexistent as a result of oxide-layer dissolution processes and, potentially, oxide-layer reduction due to water formation. Based on the reviewed literature, we hypothesize that, by 500°C, the surface layer consists of an oxyhydride phase, which is a solid solution of oxygen in titanium hydride. We believe that hydrogen release from titanium hydride is controlled by the kinetics of molecular hydrogen desorption on the oxyhydride surface. No literature data is available for corresponding activation energies of the dynamic desorption process, and the equilibrium phase diagram of this three-component system remains largely unexplored as well. These gaps in knowledge might be addressed through coordinated computational modeling and experimental efforts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fundamental 235 Uranium Nuclear Resonance Spectroscopy (End of Year Report)

Uranium-235 is ubiquitous in the nuclear industry however, detailed characterization by magnetic resonance spectroscopy has remained largely elusive to-date. Conventional nuclear magnetic resonance techniques are ill-suited for characterizing 235 U due to the small gyromagnetic ratio and extremely large quadrupole moment of this spin$^{7}$ /2 isotope. Thus, we have designed and built a high-frequency nuclear quadrupole resonance spectrometer for measuring the quadrupole resonance of this important isotope. A successful nuclear quadrupole resonance measurement of 235 U would be a significant accomplishment and could yield valuable physical parameters such as chemical shifts, local electric field gradients, and through-bond and through-space internuclear couplings, all of which are directly related to local structure. These terms can be used to understand structural details of poorly characterized uranium materials and can improve computational models of uranium for which accurate reference data is lacking

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Electric Distribution System Planning with DERs - High-level Assessment of Tools and Methods

This document addresses analytical tools and methods to support electric distribution system planning with distributed energy resources (DERs) and grid modernization, drawing on leading-edge research and examples from around the United States. In this report, tools include computer models and software, as well as other analytical aids and practices that support distribution system planning. At its core, distribution system planning is about supporting investment decisions. Enhanced and integrated distribution system planning allows utilities to move from a passive reactive role to smart proactive planning with respect to DERs. Distribution system planning can increase transparency around utility distribution system investments before they are brought to the regulatory body for cost recovery, can support deferring traditional infrastructure investments, and can provide information and incentives to customers and third parties about where DERs can help the grid. A growing number of states are beginning to consider a comprehensive distribution system planning process that addresses the costs and benefits of DERs, reflects more choices coming from the customer/third-party domains, is integrated with resource and transmission planning, and incorporates planning scenarios that reflect the dynamic and changing nature of the electricity system

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Large Scale MD to Predict Epitope Regions in HIV Env [Slides]

Highly dense carbohydrates located on the surface of the HIV Env protein play a key role in immune evasion. Such evolutionary adaptation hampers any attempt to obtain a full mechanistic understanding of the role played by the glycans in protecting the virus against an effective immune response. Moreover, and due to their chemical variability, an accurate molecular understanding of the so called “glycan shield” is still limited by the lack of effective resolution of state-of-the-art experimental technics. Here, we have used extensive computational modelling in order to fill this gap, addressing the presence of a large glycan variability as observed experimentally. Based on an automated pipeline, we were able to assemble, set-up and simulate via Molecular dynamics hundreds of different glycosylated Env variants at nearly atomic resolution, recapitulating the glycosylation distributions observed experimentally. Results from these simulations were subjected to machine learning and very accurate prediction of simulation derived glycan shielding areas of each glycan as a function of static sequence features. Such predictive models of per-glycan shielding, incorporating both glycan dynamics and heterogeneity, were used to develop a novel sequence-based glycan shield mapping strategy. Parallel to these studies, we also developed an accurate machine learning approach to predict glycan heterogeneity data using sequence features and found good prediction accuracy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Helicity Injected Torus (HIT): Sustainment of Stable Equilibria Through Self-organization

This is the Final Progress Report of the Helicity Injected Torus (HIT) program covering May 2016 through December 2020. During this final period the HIT program continued to make advancements in computational modeling, theory, and experimental studies of global self-organization and inductively sustained spheromaks. This included many valuable contributions to the fusion, plasma and physics community, through peer-reviewed publications, PhD theses and conference presentations and posters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Step Catalysis to Synthesize Fossil-Free Ammonia at Atmospheric Pressure (Final Technical Report)

Affordable fossil-free ammonia synthesis will enable high-yield sustainable crop production for a growing world population while preserving the planet and making the best use of water and land. Simple technology amenable to intermittent operation using renewable energy will be made available through step catalysis activating dinitrogen at atmospheric pressure by nitride formation. Project objectives: (1) At the single particle level, quantify and analyze N2 activation by doped or alloyed manganese macroscopic- and nano particles at atmospheric pressure, (2) Quantify and analyze ammonia synthesis from doped or alloyed metal nitride particles when contacting them with hydrogen at atmospheric pressure, and (3) Integrate experimental data and atomic-level computational models to predict the behavior of metal alloys in nitrogen activation and subsequent ammonia synthesis.

10 SYNTHETIC FUELS↗
DOE OSTI2022

LANL Weapons Physics Directorate: Mission Scope and Opportunities [Slides]

The Weapons Physics Directorate stewards a number of critical capabilities to meet the LANL mission. To execute our mission, ALDX develops and applies cutting-edge theory, computational models and multi-physics simulation codes, and designs, executes, and analyzes complex experiments. Our mission is to sustain the current stockpile, provide future stockpile options, and help shape a globalized nuclear world.

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

Strain Gauge Diagnostic Development for use in Vessel Health Monitoring for Hydro-shots

Six-foot vessels are a crucial component to protecting high fidelity equipment at DARHT. Analysis shows these vessels have a limited life span (~10 shots) due to fatigue, ratcheting, and damage accumulation. Vessel health monitoring and diagnostics can help inform decision on a vessel’s fitness for service. Strain gauges are an easy and effective sensor for use in vessel health monitoring. In early March, J-2 executed a qualification shot, uniform blast loading with minimal fragments, with bi-axial strain gauges fielded at four locations around vessel. Several damage features were extracted from the data, and frequency content helps to validate computer modelling of the vessel response. Permanent plastic strain at each location was significant with location one having the most strain at the end state, with 230 micro-strain. However, residual pressure in the vessel could be a major factor in this strain. PEEQ is a measure of total plastic equivalent strain accumulation. The equivalent strain at location one exceeded the plastic strain limit four times and accumulated the most PEEQ with 2036 micro-strain. As expected, this qualification shot did contribute to damage in the vessel, and should be considered in its fitness for service, but not critical enough to pull it from service. Frequency content also gave valuable information on the modal response of the vessel and contributes to the understanding of how the vessel responds to the initial blast load with an expected lower frequency membrane/breathing mode and transitioning to higher frequency bending modes in the vessel wall.

42 ENGINEERING↗
DOE OSTI2022

K-Modules

K-Modules are capacitive energy modules designed to be stacked together to form a capacitor bank (aka a Marx bank). Discharging the stack produces a single, high voltage, high current pulse that when coupled to an X-ray (or electron) tube, produces energetic X-rays (or an intense electron beam, E-beam). The energetic X-rays are used in Flash X-ray Radiography (FXR), a technique to image objects moving at extremely high speed to measure their speed, shape and internal density profiles. The images help validate computer models for materials behavior under extreme pressure and temperature. FXR is a technology critical to dynamic experiments for the national security mission, and most users are DOE and DOD labs. Febetrons, the X-ray generating devices, are used at these sites and rely on capacitive energy modules for their operation. A stack of the newly developed K-modules will significantly extend the capabilities of these Febetrons

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Cooperative Research and Development Agreement among National Energy Technology Laboratory, Advanced Manufacturing LLC, and Connecticut Center for Advanced Technology [Abstract]

The National Energy Technology Laboratory (NETL), Advanced Manufacturing LLC (AMLLC) and Connecticut Center for Advanced Technology (CCAT) will collaborate to develop and manufacture cost-effective, oxide dispersion-strengthened, NiCrFeCo-rich high entropy alloys that are superior to Nickel-based superalloys (e.g. IN740) for repair or replacement service in extreme environments. The new alloys can result in higher efficiency and reduced cost of advanced power systems such as advanced ultra-supercritical (AUSC) boilers and gas turbines. High throughput, multiscale computational modeling will be performed to accelerate alloy discovery by interrogating the intrinsic properties of the alloys including thermodynamic, kinetic, and mechanical properties. Validation and evaluation will be performed, including additive manufacturing, microstructure characterization, and mechanical properties tests.

36 MATERIALS SCIENCE↗