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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

On the use of limestone calcined clay cement (LC3) in high-strength strain-hardening cement-based composites (HS-SHCC)

Highlights: • Use of LC{sup 3} slightly reduces flowability and shortens the setting time of fresh matrices. • Highly polymerized C-A-S-H gel and abundant ettringite benefit flexural strength of LC{sup 3}-matrices. • Use of LC{sup 3} enhances the bond strength between fiber and high-strength matrix. • LC{sup 3}-based HS-SHCC yields similar flexural performance as the composite with Portland cement. High-strength strain-hardening cement-based composites (HS-SHCC) demonstrate excellent mechanical and durability properties. However, high cement content typical to HS-SHCC results not only in high carbon footprint, but also in excessive hydration heat and severe autogenous shrinkage. In this investigation, Limestone Calcined Clay Cement (LC{sup 3}) was used to produce sustainable HS-SHCC. The LC{sup 3} substitution resulted in higher energy consumption during mixing and in shorter setting times of the fresh, plain matrices. Although the LC{sup 3} substitution slightly reduced the compressive strength, the formation of highly polymerized C-A-S-H gel and abundant ettringite benefited the flexural strength of the plain matrices. Additionally, single-fiber pullout experiments showed that the use of LC{sup 3} led to increased fiber-matrix bond strength and pullout energy. Finally, the replacement of Portland cement by LC{sup 3} resulted in HS-SHCC with similar mechanical performance to the reference composite, indicating a high potential for using LC{sup 3} in high-performance cement-based composites.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of Structure and Filler on Mechanical Properties of Direct Ink Write Pads

Direct ink write (DIW) is an extrusion-based additive manufacturing (AM) technique that enables superior repeatability, property tuning, and material customization compared to conventional manufacturing techniques. In this research, DIW is used to print silicone foams that must accommodate the thermal expansion of other parts. This expansion requires the material to compress and subsequently recover. Thus, a key performance metric is reducing “compression set” or deformation retained after the material is compressed. For this study, a silicone resin was compounded with a getter material, 1,4 bis(phenylethynyl)benzene (DEB) mixed with carbon-supported palladium (Pd) and printed in a variety of lattice structures. The effects of the filler and print structure on compression set were evaluated. In these experiments, 0.5-inch diameter coupons were compressed to 75% their original height for 22 hours at 70 °C, and the change in height calculated at intervals between 30 minutes and 24 hours post-decompression. The unfilled pad with skin layers had the best compression set at 0.7% ± 0.1%, followed by the unfilled pad with no skins at 1.5% ± 0.1%. As the number of filled layers increased, compression set performance degraded. The pad with filled skin layers and all filled layers had a compression set of 7.0% ± 0.3%. Additionally, the reaction extent of DEB was found to increase compression set, possibly due to the diffusion of DEB to the surface at elevated temperatures. Imaging reveals extensive crystallization at the surface. These investigations show that a non-reinforcing filler will increase compression set but that print structure can mitigate this effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nonideal mixing effects in warm dense matter studied with first-principles computer simulations

Here, we study nonideal mixing effects in the regime of warm dense matter (WDM) by computing the shock Hugoniot curves of BN, MgO, and MgSiO 3 . First, we derive these curves from the equations of state (EOS) of the fully interacting systems, which were obtained using a combination of path integral Monte Carlo calculations at high temperature and density functional molecular dynamics simulations at lower temperatures. We then use the ideal mixing approximation at constant pressure and temperature to rederive these Hugoniot curves from the EOS tables of the individual elements. We find that the linear mixing approximation works remarkably well at temperatures above ~2 × 10 5 K, where the shock compression ratio exceeds ~3.2. The shape of the Hugoniot curve of each compound is well reproduced. Regions of increased shock compression, which emerge because of the ionization of L and K shell electrons, are well represented, and the maximum compression ratio of the Hugoniot curves is reproduced with high precision. Some deviations are seen near the onset of the L shell ionization regime, where ionization equilibrium in the fully interacting system cannot be well reproduced by the ideal mixing approximation. This approximation also breaks down at lower temperatures, where chemical bonds play an increasingly important role. However, the results imply that the equilibrium properties of binary and ternary mixtures in the regime of WDM can be derived from the EOS tables of the individual elements. This significantly simplifies the characterization of binary and ternary mixtures in the WDM and plasma phases, which otherwise requires large numbers of more computationally expensive first-principles computer simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of rice husk ash-derived activator on the structural build-up of alkali activated materials

Highlights: • Filtered and unfiltered sodium silicate solutions were synthesised from RHA. • The dissolution efficiency of RHA in NaOH solution was 76.3%. • RHA-derived activator showed a structural build-up comparable to the commercial activator in AAM pastes. • The undissolved residues in the unfiltered RHA-derived activator increased the yield stress. • Comparable compressive strength and early age gel formation were observed from both commercial and RHA-derived solutions. Waste-derived sodium silicates (SSs) were synthesised from rice husk ash (RHA) to produce alkali activated materials (AAMs) using fly ash and slag as precursors. The effects of these SSs on the structural build-up were investigated by monitoring the evolution of the viscoelasticity, ultrasonic pulse waves, setting time, and infrared spectra. Two types of RHA derived SSs (filtered SS and unfiltered SS) were prepared to investigate the effect of the undissolved residue on the hardening process. The derived SS contained a large portion of monomer silicate species. The results showed that the structural build-up mechanism was comparable between the AAMs activated by the filtered SS and a commercial SS. The unfiltered SS increased the yield stress of the paste by up to 10 times. However, the residues in the unfiltered SS had insignificant impacts on the gel formation and compressive strength when using identical SiO{sub 2}/Na{sub 2}O and Na{sub 2}O/binder ratios in the mix design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Shock Hugoniot measurements of single-crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) compressed to 83 GPa

We present laser-driven shock Hugoniot measurements of single-crystal (SC) 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) between 15 and 83 GPa, spanning pressures below and well above the Chapman–Jouguet pressure of ~28 GPa for TATB formulations (TATB grains mixed with plastic binders at 5–10 wt. %). The new SC data are generally ~3% more compressible than previously published data on neat and formulated TATB measured in gas-gun and explosive-driven experiments. An exception is at compressions in the density of ~1.5 (~30–40 GPa), where our new SC data exhibit significantly lower pressures than previous results on overdriven TATB formulations, suggesting that our SC samples remain largely unreacted below 35 GPa over the short nanosecond-time scales inherent to our laser-driven experiments. We report these novel equation-of-state measurements are a critical step toward understanding TATB in its most fundamental form and improving predictive modeling of TATB-based explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Simulation and flow physics of a shocked and reshocked high-energy-density mixing layer

This work describes a computational investigation of multimode instability growth and multimaterial mixing induced by multiple shock waves in a high-energy-density (HED) environment, where pressures exceed 1 Mbar. The simulations are based on a series of experiments performed at the National Ignition Facility (NIF) and designed as an HED analogue of non-HED shock-tube studies of the Richtmyer–Meshkov instability and turbulent mixing. A three-dimensional computational modelling framework is presented. It treats many complications absent from canonical non-HED shock-tube flows, including distinct ion and free-electron internal energies, non-ideal equations of state, radiation transport and plasma-state mass diffusivities, viscosities and thermal conductivities. The simulations are tuned to the available NIF data, and traditional statistical quantities of turbulence are analysed. Integrated measures of turbulent kinetic energy and enstrophy both increase by over an order of magnitude due to reshock. Large contributions to enstrophy production during reshock are seen from both the baroclinic source and enstrophy–dilatation terms, highlighting the significance of fluid compressibility in the HED regime. Dimensional analysis reveals that Reynolds numbers and diffusive Péclet numbers in the HED flow are similar to those in a canonical non-HED analogue, but conductive Péclet numbers are much smaller in the HED flow due to efficient thermal conduction by free electrons. It is shown that the mechanism of electron thermal conduction significantly softens local spanwise gradients of both temperature and density, which causes a minor but non-negligible decrease in enstrophy production and small-scale mixing relative to a flow without this mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Implications of real-gas behavior on refractive index calculations for optical diagnostics of fuel–air mixing at high pressures

Three models to compute the refractive index of gaseous mixtures at real gas conditions are presented with the purpose to improve the accuracy of state relationships between refractive index and thermodynamic properties. Models are compared with experimental data to determine one that is applicable to high pressure mixtures with non-ideal thermodynamic behavior near or above a fluids’ critical point. The optimal model is applied to analyze adiabatic thermal mixing of fuel and air at typical diesel engine conditions. Our results show that the ideal gas mixture law is appropriate in the vapor region, assuming it is known, for example, from experimental measurements. Finally, the model is applied for binary fuel-air mixing at supercritical conditions to demonstrate its full potential.

02 PETROLEUM↗
DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Compaction and Morphology of Lost Circulation Materials

Lost circulation material (LCM) selection is critical to effectively and efficiently treating wellbore fluid losses in geothermal drilling where costs of treatment can be as much as 30% of the total drilling cost. We conducted several uniaxial compaction experiments on 10 different materials and several material mixtures to identify critical mechanical parameters of each. Materials degraded at 200°C were also investigated to understand how elevated temperatures in geothermal wells would degrade their compaction behavior. Granular materials tended to have lower compressibility and higher compression resistance, while more elongated and softer materials had less mechanical stiffness. Mixing materials tended to moderate the mechanical behaviors while heating universally increased the compaction of materials. Microscopy showed that particle strength tended to correlate positively with roundness and circularity and negatively with elongation of a material. Convexity of the degraded and undegraded materials showed heating may have increased the convexity or roughness of the individual particles. In conclusion, we concluded that granular materials are likely to provide the best seals in wells but that a mixture of size distribution, mechanical rigidity, and elongation is more likely to form a better seal for geothermal wells.

annular pressure drilling↗
DOE OSTI2023

Validated CFD Model for Multimode Gasoline Compression Ignition Engine

A validated CFD model for the multimode combustion engine developed under the DOE funded project DE-EE0008478 (Co-optimized Mixed-Mode Engine and Fuel Demonstrator for Improved Fuel Economy while Meeting Emissions Requirements). It incorporates advanced physics-based fuel surrogate models for thermophysical properties and reaction kinetics. The combustion modes include spark ignition (SI), low temperature combustion (LTC), and compression ignition (CI). The real fuel model was validated for RON60, RON70, RON80, RON90, and two biofuel blends. The validation cases can be found in https://doi.org/10.2172/1887341.

02 PETROLEUM↗
DOE OSTI2024

Characterization of Biomass-Based Fuels and Fuel Blends for Low-Emissions, Advanced Compression Ignition Engines (Final Report)

The goal of the Co-Optima program was to accelerate deployment of co-optimized fuels and engines that will reduce fuel consumption, and criterion pollutants and greenhouse gas (GHG) emissions for both spark and compression-ignited engines. In this project, combustion measurements from a constant pressure flow rig (CPFR) with optical access were used to assess fundamental combustion behavior of number of different candidate fuels and fuel blends. This chamber and its peripheral systems allowed stable control of ambient air pressure and temperature and fuel injection pressure and timing for hundreds of repeat injections allowing statistical interpretation of the results. The optical diagnostics enabled capturing of liquid length, vapor length, ignition timing, lift-off length as well as localized (temporal and spatially resolved) mixture refractive index, flame structure, and soot mass. The operating conditions allowed the study of combustion conditions promoting lean lifted flame combustion (LLFC), a mixing-controlled low-temperature combustion (LTC) strategy to reduce soot production in Advanced Compression Ignition (ACI) engines.

09 BIOMASS FUELS↗
DOE OSTI2024

Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. In conclusion, this work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen’s energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

High-volume and -adiabat capsule (“HVAC”) ignition: Lowered fuel compression requirements using advanced Hohlraums

Lower-than-expected deuterium–tritium fuel areal densities have been experimentally inferred across a variety of high-convergence, nominally low-adiabat implosion campaigns at the National Ignition Facility (NIF) using cylinder-shaped Hohlraums [Hurricane et al., Phys. Plasmas 26, 052704 (2019)]. A leading candidate explanation is the presence of atomic mix between the fuel and ablator from hydrodynamic instability growth [Clark et al., Phys. Plasmas 26, 050601 (2019)], leading to reduced fuel compressibility and an effectively higher (in-flight) fuel adiabat α. Tolerating a high-α implosion can be obtained with significantly higher capsule absorbed energy Ecap according to the one-dimensional (1-D) ignition-threshold-factor analytic scaling [S. Atzeni and J. Meyer-ter-Vehn, Nucl. Fusion 41, 465 (2001)], ITF∼Ecap·α−1.8. Recent experiments with large Al shells in rugby-shaped Hohlraums have established high laser-capsule coupling efficiencies of ≽ 30% [Ping et al., Nat. Phys. 15, 138 (2019)], enabling a path to Ecap≽ 0.5 MJ at the NIF and increased performance margin M ≡ ITF − 1. The ability to operate at high adiabat with large capsules using nonstandard Hohlraums leads to the predicted onset of a volume-ignition mode, defined as when both the entire fuel is the “hot spot” and inertial confinement is principally provided by the ablator compared with the compressed fuel. Such an ignition mode, normally reserved for high-Z targets, e.g., double shells [Amendt et al., Phys. Plasmas 14, 056312 (2007)], is predicted to lead to lower fuel convergence and less exposure to mix due to the intended high adiabat—but at the expense of ∼3–4 × reduced (1-D) yield compared with conventional central hot-spot ignition designs.

Amendt, Peter (ORCID:0000000174021777)↗
DOE OSTI2020

Structural response of α-quartz under plate-impact shock compression

Because of its far-reaching applications in geophysics and materials science, quartz has been one of the most extensively examined materials under dynamic compression. Despite 50 years of active research, questions remain concerning the structure and transformation of SiO 2 under shock compression. Continuum gas-gun studies have established that under shock loading quartz transforms through an assumed mixed-phase region to a dense high-pressure phase. While it has often been assumed that this high-pressure phase corresponds to the stishovite structure observed in static experiments, there have been no crystal structure data confirming this. In this study, we use gas-gun shock compression coupled with in situ synchrotron x-ray diffraction to interrogate the crystal structure of shock-compressed α-quartz up to 65 GPa. Our results reveal that α-quartz undergoes a phase transformation to a disordered metastable phase as opposed to crystalline stishovite or an amorphous structure, challenging long-standing assumptions about the dynamic response of this fundamental material.

58 GEOSCIENCES↗
DOE OSTI2022

Observations of twinning microstructure in iron ramp-compressed through the α – ε phase transition

Single crystal iron was ramp-compressed along the [100] axis at 4 GPa/ns through the α–ϵ phase transformation at 13 GPa. Unlike shock experiments, in these ramp compression experiments the bcc lattice is observed to be nearly isotropically relaxed before the phase transition. There was a mixed α/ϵ phase region starting at ~13 GPa which was observed for 0.75 ns until the peak stress of 18 GPa was reached. In situ x-ray diffraction measurements show the formation of new hcp orientations not reported in shock or quasistatic compression experiments. The new hcp orientations appear to be caused by {10¯11} <10¯1 ¯2> → {¯1011} <¯101¯2> sequential twins that occur during the phase transition. This twinning mechanism relieves the shear strain caused by the bcc-hcp phase transition from the isotropically relaxed bcc phase while subject to uniaxial compression. Furthermore, these results show that in iron the induced microstructure through a phase transition and the phase transition mechanism depend on the loading history.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Heat transfer and transport property contrast effects on the compressible Rayleigh-Taylor instability

In extreme environments, the Rayleigh-Taylor instability (RTI) may occur under large variations in density and temperature and with fluid transport properties strongly dependent on temperature. Direct numerical simulations of the 3D fully compressible RTI are conducted, examining the idealized configuration of a hotter, less dense fluid pushing against a colder, denser fluid. Various temperature ratios and transport property configurations are explored to examine how heat conduction, large variations in transport properties, and sudden changes in transport properties can affect the evolution of the mixing layer. Nonuniform fluid expansion and contraction induced by heat transfer can significantly affect local density differences and overall instability growth, causing profile asymmetries about the initial interface for flow and mixing statistics. The departures from classical self-similar development of the instability along with misalignment between regions of mixing and regions of most intense turbulent activity caused by both heat transfer and transport property contrasts are examined. After sudden changes in fluid transport properties, which may occur as a result of rapid heating (e.g., in inertial confinement fusion), the flow quickly responds and begins to relax towards quasi-self-similar late-time evolution. For many dynamical quantities such as vorticity and dissipation, this late-time evolution resembles that of the configuration that already started with the final transport property magnitudes, suggesting that these quantities depend only on the transport properties and not on past flow history, provided that the density field distributions for the flows remain similar. On the other hand, the mixing evolution after the transport property change is unique, implying that both property magnitudes and previous history are impactful on the mixing. In conclusion, these simulations demonstrate how various temperature-related effects are extremely important to consider in compressible RTI flows with large temperature variations.

42 ENGINEERING↗
DOE OSTI2021

Joint Topology Identification and State Estimation in Unobservable Distribution Grids

Many distribution system operations (e.g., state estimation, control, fault detection/localization) rely on the assumption that the underlying topology is accurately defined. In general, topology identification is a challenging problem in distribution systems as these systems are unobservable with a very limited number of available measurements. In this paper, we tackle this problem by designing a compressive sensing framework that jointly estimates the systems states and network topology via an integrated mixed integer nonlinear program (MINLP) formulation. Here, two reformulations of the original MINLP problems are investigated. Firstly, in order to remove the nonlinearity in the MINLP formulation, a mixed integer linear programming (MILP) problem that employs auxiliary variables is derived. Furthermore, to achieve a faster solution, convex relaxation of the original formulation is derived. Finally, using a Markovian model for topology changes, prior information about system topology is used to improve topology identification particularly when a limited amount of measurements is available. Simulation results on IEEE 37-bus test feeder and IEEE 123-bus test feeder illustrate the efficiency and scalability of the proposed approaches from both state estimation and topology identification point of view (even with 30% of available data).

42 ENGINEERING↗
DOE OSTI2021

Distribution of rare earth elements in the pilot-scale processing of fly ashes derived from eastern Kentucky coals: Comparisons of the feed and processed ashes

Beneficiated fly ash from the combustion of Central Appalachian high volatile bituminous coals was extracted with HNO 3 in a pilot-scale processing plant. Several major oxides (notably CaO and SO 3 , but also including Fe 2 O 3 , MgO, K 2 O, and P 2 O 5 ) and minor elements (Mn, As, Sr, Ba, and Pb) are depleted in the post-HNO 3 -extraction spent ash. The total lanthanides, Y, and Sc concentration is reduced by about 20% in the spent ash, with Gd showing the greatest decrease. Along with Gd, Nd and Dy are also well differentiated between the feed and spent ashes, with La and Sm showing minimal partitioning. The Gd decrease is correlated with the depletion of Fe 2 O 3 . The heavy rare earth elements (REE heavier than Eu) and Y are disproportionately concentrated in the HNO 3 -leachate compared to the light REE. For the ashes studied, Sc did not partition between the feed and spent ashes. Pozzolanicity tests show that the compressive strength and strength activity indices of the spent ash + ordinary Portland cement (OPC) mixes are comparable to 100% OPC, indicating that the spent ashes produced in the pilot-scale runs have the potential to be sold as a Class F fly ash. Finally, the beneficiated ash chemistry influences the chemistry of the post-HNO 3 -extraction spent ash and the HNO 3 -leachate. A 500-ppm-REE fly ash will presumably be a more economically favorable feedstock than an ash with a significantly lesser concentration.

01 COAL, LIGNITE, AND PEAT↗