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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nanoparticle-stabilized CO₂ foam for CO₂ EOR application

The purpose of this project was to develop nanoparticle-stabilized CO₂ foam for CO₂ -EOR application, in which nanoparticles instead of surfactants are used for stabilizing CO₂ foam to improve the CO₂ sweep efficiency and increase oil recovery. The studies included: (1) investigation of CO₂ foam generation nanoparticles, such as silica nanoparticles, and the effects of particle concentration and surface properties, CO₂/brine ratio, brine salinity, pressure, and temperature on foam generation and foam stability; (2) coreflooding tests to understand the nanoparticle-stabilized CO₂ foam for waterflooded residual oil recovery, which include: oil-free coreflooding experiments with nanoparticle-stabilized CO₂ foam to understand the transportation of nanoparticles through the core; measurements of foam stability and CO₂ sweep efficiency under reservoir conditions to investigate temperature and pressure effects on the foam performance and oil recovery as well as the sweep efficiency in different core samples with different rock properties; and (3) long-term coreflooding experiments with the nanoparticle- stabilized CO₂ foam for residual oil recovery. Finally, the technical and economical feasibility of this technology was evaluated.

02 PETROLEUM↗
DOE OSTI2019

Short- and Intermediate-Range Structure and Dynamics of Fe-Ni-C Liquid Under Compression

Properties of liquid Fe alloys under high-pressure conditions are crucial for understanding the composition, thermal state, and dynamics of Earth’s core. Experiments on such liquids, however, are often performed under pressures far below those of the outer core, necessitating long extrapolations of experimental results to core conditions. Such estimates can be complicated by light elements possibly forming pressure-dependent molecular clusters that can significantly affect the physical properties of liquids as core conditions are approached. First-principles molecular dynamics simulations were employed to compute the properties of an Fe-Ni-C liquid with a composition of Fe 3.7 Ni 0.37 C at 1673 K and pressures from 0 to 67 GPa to benchmark computational methods on pressure effects on the structure and properties of the liquid relative to low pressure experimental results. The short-range structure is manifested by the coordination number (CN) of Fe/Ni-Fe/Ni being around 12, indicative of a nearly close-packed structure in the pressure range, and the CN of C-Fe/Ni gradual increasing from 6.5 to 8.5, indicative of an approximately octahedral to cubic transition as pressure increases. The Fe/Ni-Fe/Ni bond distance, however, is found to be 10 times more compressible than the C-Fe/Ni distance. The intermediate-range structure of Fe/Ni-Fe/Ni and C-Fe/Ni subsystems, described by a partial configurationally decomposed distribution function, undergoes substantial changes, characterized by a significant increase of the number of polyhedra that share 3 atoms with each other. Such dense configurations are related to an increased bulk modulus, decreased diffusion coefficient, decreased activation volume for diffusion, and increased shear viscosity. Reproducing the experimental observations at low pressures provides important support for modeling the liquid under the conditions relevant to the outer core.

58 GEOSCIENCES↗
DOE OSTI2024

A Comparative Experimental Analysis of Natural Gas Dual Fuel Combustion Ignited by Diesel and Poly OxyMethylene Dimethyl Ether

Dual-fuel low-temperature combustion is a possible solution for alleviating the tradeoff between oxides of nitrogen and soot emissions in conventional diesel combustion, albeit with poor combustion stability, high carbon monoxide, and unburned hydrocarbon emissions at low engine loads. The present work compares emissions and combustion (heat release and other metrics) of both diesel and poly-oxy methylene dimethyl ether as high-reactivity fuels to ignite natural gas while leveraging spray-targeted reactivity stratification, which involved multiple injections of the high-reactivity fuels. The experiments included six parametric sweeps of: (1) start of first injection, (2) start of second injection, (3) percentage of energy substitution of natural gas, (4) commanded injection duration ratio, (5) rail pressure, and (6) intake pressure. The experiments were performed on a 1.8 L heavy-duty single-cylinder research engine operating at a medium speed of 1339 rev/min. Not-to-exceed limits for the indicated oxides of nitrogen emissions, maximum pressure rise rate, and the coefficient of variation of the indicated mean effective pressure were set to 1 g/kWh, 10 bar/CAD, and 10%, respectively. The indicated emissions decreased and combustion improved significantly for both fueling combinations when the experimental procedure was applied.

Partridge, Kendyl Ryan↗
DOE OSTI2023

SUHMO: an adaptive mesh refinement SUbglacial Hydrology MOdel v1.0

Abstract. Water flowing under ice sheets and glaciers can have a strong influence on ice dynamics, particularly through pressure changes, suggesting that a comprehensive ice sheet model should include the effect of basal hydrology. Modeling subglacial hydrology remains a challenge, however, mainly due to the range of spatial and temporal scales involved – from subglacial channels to vast subglacial lakes. Additionally, networks of subglacial drainage channels dynamically evolve over time. To address some of these challenges, we have developed an adaptive mesh refinement (AMR) model based on the Chombo software framework. We extend the model proposed by Sommers et al. (2018) with a small but significant change to accommodate the transition from unresolved to resolved flow features. We handle the strong nonlinearities present in the equations by resorting to an efficient nonlinear full approximation scheme multigrid (FAS-MG) algorithm. We outline the details of the algorithm and present convergence analysis results demonstrating its good performance. Additionally, we present results validating our approach, using test cases from the Subglacial Hydrology Model Intercomparison Project (SHMIP) (de Fleurian et al., 2018). We finish by presenting a more complex, 100 km-by-100 km synthetic test case with peaks and valleys that we use to investigate the effective pressure distribution as the number of AMR levels increases. These preliminary results suggest that a minimum spatial resolution is needed to properly capture channel features, but additional work is required to precisely quantify this and its impact on accurately modeling the coupled ice sheet–hydrology system. The efficiency of our approach, relying on localized refinement, is also demonstrated. Future work will include coupling the SUbglacial Hydrology MOdel (SUHMO) with the BISICLES AMR ice sheet model (Cornford et al., 2013), both built on the same numerical framework.

58 GEOSCIENCES↗
DOE OSTI2021

Solid particulate mass and number from ducted fuel injection in an optically accessible diesel engine in skip-fired operation

Ducted fuel injection (DFI) is a new combustion strategy that has been shown to significantly attenuate soot formation in diesel engines. While previous studies have used optical diagnostics and optical filter smoke number methods to show that DFI reduces in-cylinder soot formation and engine-out soot emissions, respectively, this is the first study to measure solid particle number (PN) emissions in addition to particle mass (PM). Furthermore, this study quantitatively evaluates the use of transient particle instruments for measuring particles from skip-fired operation in an optical single cylinder research engine (SCRE). Engine-out PN was measured using an engine exhaust particle sizer following a catalytic stripper, and PM was measured using a photoacoustic analyzer. The study improves on earlier preliminary emissions studies by clearly showing that DFI reduces overall PM by 76%–79% and PN for particles larger than 23 nm by 77% relative to conventional diesel combustion at a 1200-rpm, 13.3-bar gross indicated mean effective pressure operating condition. The degree of engine-out PM reduction with DFI was similar across both particulate measurement instruments used in the work. Through the use of bimodal distribution fitting, DFI was also shown to reduce the geometric mean diameter of accumulation mode particles by 26%, similar to the effects of increased injection pressure in conventional diesel combustion systems. This work clearly shows the significant solid particulate matter reductions enabled by DFI while also demonstrating that engine-out PN can be accurately measured from an optical SCRE operating in a skip-fired mode. Based on these results, it is believed that DFI has the potential to enable fuel savings when implemented in multi-cylinder engines, both by lowering the required frequency of active diesel particulate filter regeneration, and by reducing the backpressure imposed by exhaust filtration systems.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1993

The effect of nonsymmetric pressure stiffness on the dynamic characteristics of Solid Rocket Motors

This paper discusses the effect of pressure on the dynamics of pre-stiffened structures such as the Advanced Solid Rocket Motor (ASRM). Previous work in which the stiffness terms resulting from constant pressure were derived has been extended to enable modeling of nonconstant pressure applied over nonenclosed volumes. These conditions will result in nonsymmetric terms in the global stiffness matrix which will not cancel out. Three new pressure stiffness elements incorporating these nonsymmetric terms have been implemented as dummy elements in COSMIC NASTRAN and have been tested on various simple examples as well as an existing ASRM NASTRAN finite element model. The results indicate that for all load cases of practical interest to the ASRM program, the nonsymmetric terms have very little effect on the dynamic characteristics. In addition, the pressure stiffness elements developed in the previous work which assumed constant pressure gave virtually the same results as the new elements even for problems in which the pressures are not constant. The original elements appear to work well as long as the pressure gradient across any individual element is no larger than about 0.75 psi/inch. The new elements are therefore most useful for determining the conditions under which the original pressure stiffness elements can be used.

Christensen, Eric R.↗
DOE OSTI2015

Transport properties of alkali metal doped fullerides

We have studied the intercage interactions between the adjacent C{sub 60} cages and expansion of lattice due to the intercalation of alkali atoms based on the spring model to estimate phonon frequencies from the dynamical matrix for the intermolecular alkali-C{sub 60} phonons. We considered a two-peak model for the phonon density of states to investigate the nature of electron pairing mechanism for superconducting state in fullerides. Coulomb repulsive parameter and the electron phonon coupling strength are obtained within the random phase approximation. Transition temperature, T{sub c}, is obtained in a situation when the free electrons in lowest molecular orbital are coupled with alkali-C{sub 60} phonons as 5 K, which is much lower as compared to reported T{sub c} (20 K). The superconducting pairing is mainly driven by the high frequency intramolecular phonons and their effects enhance it to 22 K. The importance of the present study, the pressure effect and normal state transport properties are calculated within the same model leading superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Phonon thermodynamics and elastic behavior of GaN at high temperatures and pressures

The effects of temperature and pressure on the phonons of GaN were calculated for both the wurtzite and zinc-blende structures. In this work, the quasiharmonic approximation (QHA) gave reasonable results for the temperature dependence of the phonon DOS at zero pressure but unreliably predicted the combined effects of temperature and pressure. Pressure was found to change the explicit anharmonicity, altering the thermal shifts of phonons and more notably qualitatively changing the evolution of phonon lifetimes with increasing temperature. These effects were largest for the optical modes, and phonon frequencies below approximately 5 THz were adequately predicted with the QHA. The elastic anisotropies of GaN in both wurtzite and zinc-blende structures were calculated from the elastic constants as a function of pressure at 0 K. The elastic anisotropy increased with pressure until reaching elastic instabilities at 40 GPa (zinc blende) and 65 GPa (wurtzite). The calculated instabilities are consistent with proposed transformation pathways to rocksalt GaN and place upper bounds on the pressures at which wurtzite and zinc-blende GaN can be metastable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Evolution of magnetism, valence, and crystal lattice in EuCd 2 As 2 under pressure

EuCd 2 As 2 has been proposed to be one of the ideal platforms as an intrinsic topological magnetic system, potentially hosting a single pair of Weyl points when it is tuned into the ferromagnetic state with spins aligned out of plane by either external pressure or chemical doping. To investigate the possible realization of an ideal topological state, we have systematically investigated pressure control of the magnetic state, valence, and crystal structure using synchrotron-based time-domain Mössbauer spectroscopy, x-ray absorption spectroscopy, and powder x-ray diffraction. Our experimental results show that the magnetic configuration remains mostly in plane under pressure up to 42.8 GPa and pressure effectively enhances the magnetic ordering temperature. Meanwhile, Eu ions remain divalent when subjected to pressure up to 35.9 GPa, and the trigonal crystal lattice is maintained up to 34.6 GPa. Our work provides valuable experimental data to benchmark future theoretical studies in magnetic topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Oxy-Combustion Environmental Characterization: Fire- and Steam-Side Corrosion in Advanced Combustion

Steamside Oxidation: A first high pressure test was completed, 293 hr at 267 bar and 670°C; A parallel 1 bar test was done for comparison; Mass gains were higher for all alloys at 267 bar than at 1 bar. A comparison was made with longer-term literature data: Ferritic steels--no consistent pressure effect; Austenitic steels--fine grain alloys less able to maintain protective chromia scale as pressure increases; Ni-base alloys--more mass gains above 105 bar than below. Not based on many data points. Fireside Corrosion: 1. Conditions for most severe corrosion: Temperature: 700{degrees}C Deposit: Standard Corrosion Mix Duration: 160 hours Gas Atmosphere: O{sub 2} + 1000ppm SO{sub 2} Pt-catalyst placed in the hot zone next to the specimens 2. Possible SO{sub 2} threshold in gas atmosphere for corrosion; 3. Corrosion greater in steel alloys than Ni-based alloys; 4. Corrosion mechanism proposed for steel alloys and Ni-based alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Effects of applied pressure on hot-pressing of Beta-SiC

The effects of applied pressure on the densification during hot pressing of beta-SiC compacts were investigated. Beta-SiC powder is Starck made and has the average particle size of about 0.7 micrometer. Hot pressing experiments were carried out in graphite dies at temperatures of 1700 deg to 2300 deg C and at the pressures up to 1000 kg/sq cm. The compacts containing 1 weight percent B4C were examined. Sintered compacts were examined for microstructure and the Rockwell A-scale hardness was measured. The B4C addition was very effective to mitigate the hot pressing conditions. It is found that densification goes with the strengthening of the bonding and does not occur in particle deformation due to concentrated stress.

Kinoshita, M.↗
DOE OSTI2013

Structure sensitivity of hydrogenolytic cleavage of endocyclic and exocyclic C-C bonds in methylcyclohexane over supported iridium particles

Structure sensitivities, H2 pressure effects and temperature dependencies for rates and selectivities of endo- and exocyclic C–C bond cleavage in methylcyclohexane were studied over supported Ir catalysts. The rate of endocyclic C–C bond cleavage first decreased and then increased with declining Ir dispersion from 0.65 to 0.035. The ring opening (RO) product distribution remained unchanged with varying H2 pressure on small Ir particles, while further shifting to methylhexanes with increasing H2 pressure on large particles. In contrast, the rate and selectivity of exocyclic C–C bond cleavage decreased monotonically with increasing H2 pressure and decreasing Ir particle size. The distinct dependencies of endocyclic and exocyclic C–C bond cleavage pathways on Ir dispersion and H2 pressure suggest that they are mediated by surface species with different ensemble size requirements. DFT calculations were performed on an Ir50 cluster and an Ir(111) surface, with or without pre-adsorbed hydrogen atoms, to provide insight into the observed effects of particle size and H2 pressure on RO pathways. On small Ir particles, the calculated dehydrogenation enthalpies for all endocyclic bonds were similar and affected to similar extents by H2 pressure; on large particles, the selectivity to n-heptane (via substituted C-C bond cleavage) was even lower than on small particles as a result of the least favorable adsorption and dehydrogenation energetics for hindered bonds. This work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences under Contract DE-AC05-76RL01830. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The computing time is provided by the user project from EMSL, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

Demethylation↗
DOE OSTI2017

Pressure Self-focusing Effect and Novel Methods for Increasing the Maximum Pressure in Traditional and Rotational Diamond Anvil Cells

The main principles of producing a region near the center of a sample, compressed in a diamond anvil cell (DAC), with a very high pressure gradient and, consequently, with high pressure are predicted theoretically. The revealed phenomenon of generating extremely high pressure gradient is called the pressure self-focusing effect. Initial analytical predictions utilized generalization of a simplified equilibrium equation. Then, the results are refined using our recent advanced model for elastoplastic material under high pressures in finite element method (FEM) simulations. The main points in producing the pressure self-focusing effect are to use beveled anvils and reach a very thin sample thickness at the center. We find that the superposition of torsion in a rotational DAC (RDAC) offers drastic enhancement of the pressure self-focusing effect and allows one to reach the same pressure under a much lower force and deformation of anvils.

42 ENGINEERING↗