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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quarterly Research Performance Progress Report (Q8)

As part of Task 1, we have started by testing our modeling capabilities by reproducing isothermal DFIT simulations presented in the literature. Once satisfied with the results we have started by targeting the modeling of the DFITs at conducted at well 58-32. We have a identified a specific test (cycle 4 in zone 2) as the most interesting to be model with GEOS hydraulic fracturing module. Thus, we have first produced results with an isothermal model and adjusted model parameters to get a satisfying match with field pressure data. The, we have added thermal effects and compared the modeling results with and without thermal effects to estimate how thermal effects may influence test interpretation. Models seem to suggest that, for small volumes of fluid, thermal effects are moderate. In Task 2, we have adapted GEOS phase-field formulation to be able to simulate near-wellbore hydraulic fracture nucleation and propagation. We have devised a novel formulation that, compared to other existing ones, incorporates rock strengths. We have submitted a journal publication about our work. We are currently employing this phase-field formulation to model the experiments taking place at U Pitt and help us understand the effect of various parameters. In Task 3, we have built a model of the region surround well 16A and have started modeling stage 3 stimulation because of its simpler planar geometry. After calibrating simulation parameters using known analytical solutions, we have simulated the stage 3 stimulation using our isothermal hydraulic fracturing module, varying the permeability field, the stress conditions including different physics to get a better understanding of the numerical challenges and of the effects of varying these parameters on the simulation results. In Task 4 laboratory experimentation, a set of specialized drilling and injection tools has been customized and constructed to accommodate an inclined well with an orientation of up to 30 degrees relative to material anisotropy or principal stress axes. These inclined samples have also undergone thermal stress and hydraulic fracturing at a temperature of 190 degrees Celsius. Furthermore, both vertical and deviated sampling testing setups enable an extended analysis of post-peak pressure behaviors, facilitating post-test pressure analyses such as the G-function, step rate, and fracture reopening measurements. Thus, the key components of in-situ stress estimation can be extracted and validated through our experiment, providing a solid foundation for validating existing in-situ stress estimation theories or proposing new ones. Simultaneously, we are integrating computer vision techniques with traditional experimental fracture observation methods such as multi-overcore/slicing and water-penetration fracture observation. This combination will prove beneficial in populating the hydraulic fracture patterns database, generated under challenging EGS conditions. This approach aims to deepen our understanding of the complexities in EGS reservoirs and pave the way for future data-driven investigations. Additionally, PITT has also equipped the ELE International compression machine, which is now prepared for conducting indirect tensile and fracture toughness tests. These tests will aid in characterizing how rock fabrics influence the resulting fracture patterns. Additionally, we have completed the required personnel training and gained access to Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) for conducting more detailed characterization and analysis of rock fabrics, as well as the examination of thermal and hydraulically induced fracture patterns. Thus, the PITT team has effectively demonstrated the capabilities of our experimental apparatuses in exploring the thermal effects, well deviation angles, material anisotropy, and operational choices (such as circulation rate, injection fluid viscosity, and injection rate) and their impact on pressure responses and fracture trajectories under the Utah FORGE conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Kinetic and temperature sensitivity properties of soil exoenzymes through the soil profile down to one-meter depth at a temperate coniferous forest (Blodgett, CA)

This dataset contains data on kinetic and temperature sensitivity parameters of the exoenzymes β-glucosidase (BG), leucine/leucyl aminopeptidase (LAP) and acid phosphatase (AP) across a soil profile down to 90 cm depth at Blodgett forest, CA, USA. These data were generated to determine if kinetic and thermal properties of microbial exoenzymes involved in organic matter decomposition varied with soil depth, following variation in soil properties and microbial communities, as part of the study: Alves et al. (2021). Kinetic Properties of Microbial Exoenzymes Vary with Soil Depth but Have Similar Temperature Sensitivities Through the Soil Profile. Frontiers in Microbiology 12:3618. https://doi.org/10.3389/fmicb.2021.735282. This research was performed within the framework of the TES Belowground Biogeochemistry SFA project, in particular association with a long-term field warming experiment of the whole soil profile at Blodgett forest. Samples for this work were collected from locations representative of the field experimental plots. Potential enzyme activity rates were measured using laboratory fluorometric assays with soils collected at 0-10, 10-20, 30-40, 50-60, 60-70 and 80-90 cm deep in biological triplicates (i.e., three soil cores collected at different representative locations). Assays with each soil were conducted over a gradient of eight substrate concentrations per enzyme, and incubated at 4, 10, 16, 25, 35 or 50°C. Enzyme Michaelis-Menten kinetics were modeled over the eight substrate concentrations at each temperature, and the temperature sensitivity of the kinetic parameters was modeled over the six temperatures using linear Arrhenius/Q10 and non-linear Macromolecular Rate Theory (MMRT) models. The dataset includes the fully processed enzyme activity rate data used to model Michaelis-Menten kinetics, calculated kinetic and temperature sensitivity parameters, and basic soil and microbial biomass chemistry for each sample. All data is provided for each individual biological replicate, and kinetic and temperature sensitivity parameters are also provided as means of the biological replicates. The dataset also includes all raw measurement data and code used to parse, combine and perform the analyses described by Alves et al. (2021). For file descriptions, see the file-level metadata files: “enzymes_dataProcessed_flmd.xlsx” (processed data); “enzymes_dataRaw_flmd.xlsx” (compressed raw data and metadata); and “enzymes_code_flmd.xlsx” (compressed code). The experimental design, list of parameters measured, soil and microbial biomass chemistry data, and means of biological replicates for kinetic and temperature sensitivity parameters are also provided as human-readable tables in file “enzymeTraits_design_results_tables.xlsx”.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Pressure-induced phase transition in barium hydride studied with neutron scattering

Barium hydride can undergo a structural phase transition from an orthorhombic phase to a hexagonal phase induced by high temperature or high pressure. This transition causes an immediate increase in the hydrogen diffusion rates by over an order of magnitude, and therefore, understanding the origin and details of such transition is of great interest not only for fundamental reasons but also for improving materials for future applications. In this work, the pressure evolution of the crystal structure was characterized using neutron powder diffraction up to a maximum pressure of 11.3 GPa. The pressure dependence of the unit cell volumes, lattice parameters, atomic sites, and compressibilities were determined for both phases. A structural phase transition occurred over a wide pressure range of P = 1.3 GPa–4.9 GPa. The transition to the higher density hexagonal phase reduced the volume per formula unit of BaD 2 by 13.6%, hence increasing the volumetric storage density. In addition, we investigated the hydrogen diffusion process using high pressure quasi-elastic neutron scattering up to 7.1 GPa. Our results show that the hydrogen mobility increases with pressure in the hexagonal phase. This work sheds light on the structural and dynamical aspects of barium hydride caused by the application of high pressure. Finally, the results may aid in the development of advanced metal hydride systems with increased hydrogen dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

REYNO: A Reactive Hydrodynamics Modeling Suite

REYNO is a Python library that is primarily designed as a platform for the agile development and testing of novel reactive flow models. Equations of state and multi-step rate laws can be implemented using the provided class hierarchy with different thermodynamic closure conditions. The library includes a one-dimensional Lagrangian hydrodynamic solver to simulate multi-material reactive or inert problems in planar, cylindrical, or spherical coordinates. Custom time-dependent boundary conditions are also available for problems such as ramp compression. This document describes the different numerical methods and algorithms that are included in REYNO.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Roundtable on Foundational Science for Carbon-Neutral Hydrogen Technologies (Technology Status Document)

This document summarizes the status of carbon-neutral hydrogen production, storage and transport, and utilization. The state of the art in the implementation, limitations, and challenges of these technologies are summarized. Sources of hydrogen are broadly categorized as hydrcoarbons or water and the processes used to convert these sources to hydrogen as catalytic, thermochemical, or electrochemical. Catalytic steam methane reforming of methane is the dominant process today. Other processes have smaller production volumes and the technology is less mature, but are being deployed at increasing rates, most notably water electrolyzers for hydrogen fueling stations. Efficient transport and storage of hydrogen is one of the major challenges facing a hydrogen-based energy economy. This arises in part from its low volumetric energy density necessitating very high pressures or cryogenic temperatures to store sufficient amounts for practical applications. High-pressure compressed hydrogen cylinders are the incumbent hydrogen storage technology for applications such as light-duty fuel cell electric vehicles, for example. The storage of hydrogen in materials or in chemicals is being pursued to address the issues associated with compression, such as parasitic energy loss and weight, size, and cost of storage containers. The complex nature of the chemical and physical processes involved in the uptake, storage, and release of hydrogen has slowed the discovery of suitable hydrogen storage materials. Both small and large-scale storage face the challenge of embrittlement of the storage media by hydrogen. There is a myriad of uses of hydrogen offering the promises of improving the efficiency of various applications and reducing or eliminating CO 2 emissions. These range from direct electrochemical conversion to electricity to power vehicles and grid-level stationary applications to combustion to production of chemicals and commodities. One of the most impactful applications in terms of reduction of CO 2 emissions is fuel cell passenger vehicles and heavy-duty vehicles such as class 8 trucks. The challenges facing widespread deployment of fuel cells, beyond the major hurdle of the lack of a hydrogen distribution infrastructure, are cost and durability, primarily related to the precious metal cathode catalyst and its durability. The other uses of hydrogen from conversion to hydrocarbons, polymer upcycling, and upgrading of bio-oils are at varying stages of maturity and also face fundamental challenges associated with catalytic processes and materials.

08 HYDROGEN↗
DOE OSTI2021

Investigating anode off-gas under spark-ignition combustion for SOFC-ICE hybrid systems

Solid oxide fuel cell – internal combustion engine (SOFC-ICE) hybrid systems are an attractive solution for electricity generation. The system can achieve up to 70% theoretical electric power conversion efficiency through energy cascading enabled by utilizing the anode off-gas from the SOFC as the fuel source for the ICE. Experimental investigations were conducted with a single cylinder Cooperative Fuel Research (CFR) engine by altering fuel-air equivalence ratio (φ), and compression ratio (CR) to study the engine load, combustion characteristics, and emissions levels of dry SOFC anode off-gas consisting of 33.9% H 2 , 15.6% CO, and 50.5% CO 2 . The combustion efficiency of the anode off-gas was directly evaluated by measuring the engine-out CO emissions. The highest net-indicated fuel conversion efficiency of 31.3% occurred at φ = 0.90 and CR = 13:1. These results demonstrate that the anode off-gas can be successfully oxidized using a spark ignition combustion mode. The fuel conversion efficiency of the anode tail gas is expected to further increase in a more modern engine architecture that can achieve increased burn rates in comparison to the CFR engine. NO x emissions from the combustion of anode off-gas were minimal as the cylinder peak temperatures never exceeded 1800 K. This experimental study ultimately demonstrates the viability of an ICE to operate using an anode off-gas, thus creating a complementary role for an ICE to be paired with a SOFC in a hybrid power generation plant.

Engineering↗
DOE OSTI2024

Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions

Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.

Computational fluid dynamics↗
DOE OSTI2021

A review of energy storage technologies for demand-side management in industrial facilities

Demand-side management (DSM) in industrial facilities provides an opportunity for substantial amounts of energy cost savings, since industrial facilities are the largest energy consuming sectors globally. In this work, energy storage (ES) technologies are critically reviewed and compared with industrial DSM in mind. ES technologies reviewed herein include lithium-ion battery energy storage (BES), sodium-sulfur BES, lead-acid BES, flow BES, supercapacitor ES, superconducting magnetic ES, thermal ES, flywheel ES, pumped hydro ES, and compressed air ES. The fundamentals of these energy storage technologies are reviewed in detail including recent developments, followed by case studies and extensive comparisons. These comparisons include, but are not limited to cost per cycle analyses, levelized cost of energy analyses, and comparisons between performance, transient, and cost characteristics. Here, some key properties analyzed include the rated power, power density, efficiency, lifetime, discharge time, capital costs, and O&M costs.

25 ENERGY STORAGE↗
DOE OSTI2025

Magnetized, radiofrequency-driven hollow cathode chemical-vapor deposition of ultrathick hydrogenated amorphous carbon

Amorphous carbon is an attractive material for next-generation inertial confinement fusion (ICF) ablators due to its amorphous structure, tunable density, compatibility with dopants, chemical inertness, and mechanical robustness. Ablators are typically deposited as ultrathick (10–200 μm) coatings on removable spherical templates. The deposition of such thick amorphous carbon films is challenging due to high intrinsic compressive stress, which causes film buckling and delamination. Here, we study the deposition of amorphous carbon films by magnetized, radiofrequency-driven hollow cathode chemical vapor deposition with a custom-designed source in Ne plasmas. Emphasis is on the hollow-cathode source design and effects of the plasma discharge power and the precursor flow rate on film properties. We demonstrate deposition rates of >1 μm/h for films with hydrogen content of ∼40 at. %, densities of 1.1–1.7 g/cm 3 , and trace quantities of oxygen impurities. In conclusion, we also demonstrate the feasibility of depositing thick hydrogenated amorphous carbon films (∼30 μm) for ICF applications.

Carbon based materials↗
DOE OSTI2022

An indirect approach to optimize the reaction rates of thermal NO formation for diesel engines

With stringent emission regulations, it has become more important for modern diesel engine manufacturers to accurately predict engine-out nitrogen oxide (NO x ) emissions across a wide range of operating conditions. Thermal NO is the major source of engine-out NO x in modern diesel engines. For thermal NO formation, several earlier studies have recommended the forward and reverse reaction rate coefficients of the rate-limiting reaction (O + N 2 ⇌ NO + N). However, due to deficiencies in sub-models and inadequacies of reduced chemical mechanisms to represent diesel combustion, these recommended values more often than not need to be adjusted in reduced order combustion models to accurately predict engine-out NO x . Hence, in this work a systematic and computationally efficient approach has been proposed to streamline the process of determining the optimum reaction rate coefficients. Here, to develop the optimization approach, four different production diesel engines with different operating conditions in terms of speed, load, and exhaust-gas recirculation have been considered. Numerical simulations have been performed using a detailed zero-dimensional velocity-composition-frequency transported probability density function (0D-VCF-tPDF) model that uses hundreds of notional particles to capture in-cylinder stratification. Four different combinations of hydrocarbon and NO x chemical mechanisms were used to represent chemistry. It was found that for the rate-limiting reaction, the pre-exponent factors (A f1 , A r1 ) and activation energies (E A,f1 , E A,r1 ) of the forward and reverse reaction rates follow a linear band in A f1 - E A,f1 and A r1 - E A,r1 space where predicted engine-out NO x match the measured values closely. By encompassing such bands from different engines and considering constraints on activation energies, a reduced search domain of pre-exponent factors and activation energies was constructed that is expected to be applicable to any diesel engine. Eventually, computationally efficient three-line and one-line search approaches were proposed to determine the optimum values of the pre-exponent factors and activation energies that led to a minimum error between measured and predicted engine-out NO x . Finally, these three-line and one-line NO x optimization approaches were applied to a fifth production diesel engine for which the 0D-VCF-tPDF model showed a very good predictive performance in terms of predicting peak pressure, 50% burn rate, and engine-out NO x when compared to measured and 3D-CFD values.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

A conservative, interface-resolved, compressible framework for the modeling and simulation of liquid/gas phase change

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. In conclusion, successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Ultra-intense femtosecond laser interactions with aligned nanostructures

The interaction of ultrafast laser pulses of relativistic intensity with high aspect ratio nanostructures can efficiently and volumetrically heat matter to an ultra-high-energy-density regime encountered in the center of stars and within the core of fusion capsules compressed by the world’s largest lasers. It also generates gigantic quasi-static electromagnetic fields that accelerate particles to very high energy. Here, we present an overview of the physics and applications of these dense relativistic plasmas that can be created with pulses of relatively modest energy from lasers that can operate at a high repetition rate. Recent nanowire array experiments produced near-solid density plasmas with an extreme degree of ionization (e.g., Au +72 ), converted ultrafast pulses of laser light into intense x-ray flashes with record efficiency, and accelerated ions to MeV energies, efficiently driving micro-scale fusion reactions that generate flashes of quasi-monoenergetic neutrons. These plasmas also serve as a platform for advancing the understanding of atomic processes in extreme environments and open a new pathway to laser-driven fusion energy. The irradiation of nanostructures at intensities of > 1 x 10 22 W cm –2 is predicted to lead to an extreme ultra-high energy density plasma regime characterized by terabar pressures that is virtually unexplored.

Optics↗
DOE OSTI2023

Numerical Optimization of Spray-Guided Spark Assistance for Cold Idle Operation in a Heavy-Duty Gasoline Compression Ignition Engine

This article describes the results of a response surface model (RSM)-based numerical optimization campaign for spray-guided spark assistance at cold operations in a heavy-duty gasoline compression ignition (GCI) engine. On the basis of an earlier work on spark-assisted GCI cold combustion, a space-filling design of experiments (DoE) method was first undertaken to investigate a multitude of hardware design variables and engine operating parameters. The main design variables included the number of injector nozzles, fuel split quantities and injection timings, and spark timing. The objective variables were engine combustion efficiency (ŋ c ), maximum pressure rise rate (MPRR), and engine-out nitrogen oxide (NO x ) emissions. A total of 150 design candidates were automatically generated using the Sobol sequence method provided by the commercial software package, CAESES. Then, closed-cycle computational fluid dynamic (CFD) spark-assisted GCI simulations under cold idling operations were performed. The outcomes from the CFD-DoE design campaign were utilized to construct high-fidelity RSMs that allowed for further design optimization of the spark plug- and fuel injector-related design variables, along with fuel injection strategy parameters. A merit function with respect to objective variables was formulated with an appropriate weight assignment on each objective variable. Finally, the best design candidate was identified from the RSM-based optimization process and further validated in the CFD analysis. The best design candidate showed the potential to significantly improve combustion efficiency (ŋ c > 90%) over the baseline at cold idle while satisfying MPRR and NOx emissions constraints (MPRR < 5 bar/CAD and NO x < 4.5 g/kWh).

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Gasoline Compression Ignition on a Light-Duty Multi-Cylinder Engine Using a Wide Range of Fuel Reactivities and Heavy Fuel Stratification

Many research studies have focused on utilizing gasoline in modern compression ignition engines to reduce emissions and improve efficiency. Collectively, this combustion mode has become kn+own as gasoline compression ignition (GCI). One of the biggest challenges with GCI operation is maintaining control over the combustion process through the fuel injection strategy, such that the engine can be controlled on a cycle-by-cycle basis. Research studies have investigated a wide variety of GCI injection strategies (i.e., fuel stratification levels) to maintain control over the heat release rate while achieving low-temperature combustion (LTC). This work shows that at loads relevant to light-duty engines, partial fuel stratification (PFS) with gasoline provides very little controllability over the timing of combustion. On the contrary, heavy fuel stratification (HFS) provides very linear and pronounced control over the timing of combustion. However, the HFS strategy has challenges achieving LTC operation due to the air handling burdens associated with the high exhaust gas recirculation (EGR) rates that are required to reduce NOx emissions to near zero levels. In this work, a wide variety of gasoline fuel reactivities (octane numbers ranging from <40 to 87) were investigated to understand the engine performance and emissions of HFS-GCI operation on a multi-cylinder light-duty engine. Overall, the results indicate that over an EGR sweep at 4 bar brake mean effective pressure (BMEP), the gasoline fuels can achieve LTC operation with ultra-low NO x and soot emissions, while conventional diesel combustion (CDC) is unable to simultaneously achieve low NO x and soot. At 10 bar BMEP, all the gasoline fuels were compared to diesel, but using mixing controlled combustion and not LTC.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Gasoline Compression Ignition (GCI) on a Light-Duty Multi-Cylinder Engine Using a Wide Range of Fuel Reactivities and Heavy Fuel Stratification

Many research studies have focused on utilizing gasoline in modern compression ignition engines to reduce emissions and improve efficiency. Collectively, this combustion mode has become known as gasoline compression ignition (GCI). One of the biggest challenges with GCI operation is maintaining control over the combustion process through the fuel injection strategy, such that the engine can be controlled on a cycle-by-cycle basis. Research studies have investigated a wide variety of GCI injection strategies (i.e., fuel stratification levels) to maintain control over the heat release rate while achieving low temperature combustion (LTC). This work shows that at loads relevant to light-duty engines, partial fuel stratification (PFS) with gasoline provides very little controllability over the timing of combustion. On the contrary, heavy fuel stratification (HFS) provides very linear and pronounced control over the timing of combustion. However, the HFS strategy has challenges achieving LTC operation due to the air handling burdens associated with the high EGR rates that are required to reduce NOx emissions to near zero levels. In this work, a wide variety of gasoline fuel reactivities (octane numbers ranging from < 40 to 87) were investigated to understand the engine performance and emissions of HFS-GCI operation on a multi-cylinder light-duty engine. The results indicate that over an EGR sweep at 4 bar BMEP, the gasoline fuels can achieve LTC operation with ultra-low NOx and soot emissions, while conventional diesel combustion (CDC) is unable to simultaneously achieve low NOx and soot. At 10 bar BMEP, all the gasoline fuels were compared to diesel, but using mixing controlled combustion and not LTC.

Dempsey, Adam↗
DOE OSTI2021

The Impala's horn applied to posterior samples of Ti-6Al-4V strength model parameters

We have generated strength model parameters for the Preston-Tonks-Wallace (PTW) model of plastic deformation based on a collection of Ti-6Al-4V alloy data and a Bayesian framework. This data collected from the literature includes different chemistries and processes. The experiments include quasistatic compression, Split Hopkinson Pressure Bar (SHPB) compression, and Taylor cylinders. Here we use posterior parameter distributions applied to a hypothetical impact referred to as the Impala's horn. The Impala's horn is like a Taylor cylinder, but modified to have a conical pro le that is truncated before coming to a point. The smaller diameter at the impact end results in higher calculated strain rates and strains than the same velocity impact with the traditional Taylor profile. The modified geometry exercises the behavior of the strength model outside the range of conditions found in the calibration data. Here we sort posterior strength models based on their flow stress at characteristic values for this hypothetical deformation. Then we compare the performance of these posterior models based on two simple observable final state properties of the Impala's horn.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The mechanical properties of Kel-F 800 (FK-800) as a function of crystallinity

Kel-F 800 is a copolymer of chlorotrifluoroethylene PTFE (75 wt. %) and vinylidene fluoride PVDF (25 wt. %). It has previously been used as a PBX binder for insensitive explosives such as PBX 9502 and LX-17. 3M started production of Kel-F 800 in 1957 and small-scale batches continued to be made until 2002 when production ceased due to environmental concerns regarding one of the emulsifiers used during production. Around 2000 the Kel-F 800 name was changed to FK-800 to avoid trademark concerns because rights to produce another polymer with a similar tradename (Kel-F 81) had been sold to another manufacturer. The Kel designation came from the original manufacturer of PCTFE (Kel-F 81), the Kellog company. To avoid confusion this document will only refer to Kel-F 800. In 2006, production of small-scale batches of Kel-F 800 was started again by 3M in response to customer enquiries. This new material, the first blended batch is referred to as LOT 1, was produced with a different emulsifier than used previously. Because Kel-F 800 is made in a small batch reactor, considerable variation in crystallinity can be expected from lot to lot and year to year. In many ways, this is not significant since the material is dissolved in a solvent (often MEK, ethylmethyl ketone or ethyl acetate) for PBX production purposes. This destroys the as received crystallinity and the resulting crystallinity in the processed material is a function of polymer molecular weight and thermal history. Producing large billets of Kel-F 800 from solvent extraction is not practical and so a compression molding technique has been used above the melting temperature. This method also removes residual crystallinity from the supplied granules. The molecular weight of a polymer can be estimated by several techniques, the most common being gel permittivity chromatography (GPC), size exclusion chromatography (SEC) and shear rheometry measurements of polymer/solvent solutions. Changes in molecular weight will affect the crystallization rate and the maximum crystallinity reached for a specific thermal history. Both references agree that the new LOT 1 material molecular weight falls within the deviation found from averaging previous historical lots of Kel-F 800.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nozzle Shocks, Disk Tearing, and Streamers Drive Rapid Accretion in 3D GRMHD Simulations of Warped Thin Disks

The angular momentum of gas feeding a black hole (BH) may be misaligned with respect to the BH spin, resulting in a tilted accretion disk. Rotation of the BH drags the surrounding spacetime, manifesting as Lense–Thirring torques that lead to disk precession and warping. We study these processes by simulating a thin (H/r = 0.02), highly tilted ($\tau$ = 65°) accretion disk around a rapidly rotating (a = 0.9375) BH at extremely high resolutions, which we performed using the general-relativistic magnetohydrodynamic code H-AMR. The disk becomes significantly warped and continuously tears into two individually precessing subdisks. We find that mass accretion rates far exceed the standard α-viscosity expectations. We identify two novel dissipation mechanisms specific to warped disks that are the main drivers of accretion, distinct from the local turbulent stresses that are usually thought to drive accretion. In particular, we identify extreme scale height oscillations that occur twice an orbit throughout our disk. When the scale height compresses, "nozzle" shocks form, dissipating orbital energy and driving accretion. Separate from this phenomenon, there is also extreme dissipation at the location of the tear. This leads to the formation of low-angular momentum "streamers" that rain down onto the inner subdisk, shocking it. The addition of low-angular momentum gas to the inner subdisk causes it to rapidly accrete, even when it is transiently aligned with the BH spin and thus unwarped. These mechanisms, if general, significantly modify the standard accretion paradigm. Additionally, they may drive structural changes on much shorter timescales than expected in α-disks, potentially explaining some of the extreme variability observed in active galactic nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗