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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

In-air and pressurized water reactor environment fatigue experiments of 316 stainless steel to study the effect of environment on cyclic hardening

Argonne National Laboratory (ANL), under the sponsorship of Department of Energy’s Light Water Reactor Sustainability (LWRS) program, is trying to develop a mechanistic approach for more accurate life estimation of LWR components. In this context, ANL has conducted many fatigue experiments under different test and environment conditions on type 316 stainless steel (316SS) material which is widely used in the US reactors. Contrary to the conventional S~N curve based empirical fatigue life estimation approach, the aim of the present DOE sponsored work is to develop an understanding of the material ageing issues more mechanistically (e.g. time dependent hardening and softening) under different test and environmental conditions. Better mechanistic understanding will help develop computer-based advanced modeling tools to better extrapolate stress-strain evolution of reactor components under multi-axial stress states and hence help predict their fatigue life more accurately. In this paper (part-I) the fatigue experiments under different test and environment conditions and related stress-strain results for 316 SS are discussed. In a second paper (part-II) the related evolutionary cyclic plasticity material modeling techniques and results are discussed.

Cyclic plasticity material modeling↗
DOE OSTI2022

Melt-Spun PAN Precursor for Cost-Effective Carbon Fibers in High Pressure Compressed Gas Tankage

The objective of this program was to synthesize melt-spinnable polyacrylonitrile (PAN) precursor that will lead to carbon fiber 25% less expensive than carbon fiber produced from conventional PAN precursor when produced in large volumes. The carbon fiber produced from this precursor needs to achieve ≥ 700 ksi tensile strength with this cost reduction to replace the incumbent fiber. In this program, the technology for producing precursor and then converted carbon fiber (CF) capable of meeting the 700 ksi target was to be demonstrated at a small scale in tows, containing ≥ 100 filaments. If this program moved on to a “Phase 2”, the processes would be scaled up to produce and test Type IV compressed gas storage tanks capable of meeting the 700-bar ultimate targeted FOA performance level. Precursor fiber production typically contributes a large fraction (~50%) to finished CF manufactured cost. Presently, all high strength CFs are manufactured from solution spun PAN precursor, accomplished at low temperatures using large amounts of environmentally unfriendly solvents that impart major impact to line speed and costs involved with handling and reclaiming the solvents and associated “waste streams” required in spinning and extracting those solvents. PAN melt spinning was demonstrated by the company BASF in CF precursor production and used in production of some other acrylic fibers, but significant production challenges remain for meeting the established CF metrics. Melt spinning requires use of plasticizers to suppress the melt temperature of the predominantly PAN formulation to a point sufficiently below the temperature of significant cross-linking. Fortunately, BASF and this team’s earlier work had demonstrated acrylic formulations melt spun with combinations of plasticizing solvents at much lower solvent levels. This project team made significant progress in understanding technical issues and identifying formulation pathways in earlier work in this area where >250ksi strength was achieved. The goal of this program was to pursue a more comprehensive approach with a larger, more diverse team having greater equipment design and overall production capabilities to push rapidly beyond the science to resolve remaining “engineering” issues associated with establishing stable, continuous processes for precursor fiber leading to enhanced, cost-effective CF and composite tank production.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene

Unraveling the mechanisms for growth of polycyclic aromatic hydrocarbons (PAHs) requires accurate temperature- and pressure-dependent rate coefficients for a great variety of feasible pathways. Even the pathways for the formation of the simplest PAHs, indene and naphthalene, are fairly complex. These pathways provide important prototypes for modeling larger PAH growth. In this work we employ the ab initio RRKM theory-based master equation approach to predict the rate constants involved in the formation of indene and its conversion to naphthalene. The reactions eventually leading to indene involve C9Hx (x = 8–11) potential energy surfaces (PESs) and include C6H5 + C3H4 (allene and propyne), C6H6 + C3H3, benzyl + C2H2, C6H5 + C3H6, C6H6 + C3H5 and C6H5 + C3H5. These predictions allow us to make a number of valuable observations on the role of various mechanisms. For instance, we demonstrate that reactions which can significantly contribute to the formation of indene include phenyl + allene and H-assisted isomerization to indene of its major product, 3-phenylpropyne, benzyl + acetylene, and the reactions of the phenyl radical with propene and the allyl radical, both proceeding via the 3-phenylpropene intermediate. 3-Phenylpropene can be activated to a 1-phenylallyl radical, which in turn rapidly decomposes to indene. Next, indene can be converted to benzofulvene or naphthalene under typical combustion conditions, via its activation by H atom abstraction and methyl substitution on the five-membered ring followed by isomerization and decomposition of the resulting 1-methylindenyl radical, C10H9 → C10H8 + H. Alternatively, the same region of the C10H9 PES can be accessed through the reaction of benzyl with propargyl, C7H7 + C3H3 → C10H10 → C10H9 + H, which therefore can also contribute to the formation of benzofulvene or naphthalene. Benzofulvene easily transforms to naphthalene by H-assisted isomerization. An analysis of the effect of pressure on the reaction outcome and relative product yields is given, and modified Arrhenius fits of the rate constants are reported for the majority of the considered reactions. Ultimately, the implementation of such expressions in detailed kinetic models will help quantify the role of these reactions for PAH growth in various environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Hydrodynamic Suppression of Soot Formation in Laminar Coflowing Jet Diffusion Flames

Effects of flow (hydrodynamic) properties on limiting conditions for soot-free laminar non-premixed hydrocarbon/air flames (called laminar soot-point conditions) were studied, emphasizing non-buoyant laminar coflowing jet diffusion flames. Effects of air/fuel-stream velocity ratios were of particular interest; therefore, the experiments were carried out at reduced pressures to minimize effects of flow acceleration due to the intrusion of buoyancy. Test conditions included reactant temperatures of 300 K; ambient pressures of 3.7-49 8 kPa; methane-, acetylene-, ethylene-, propane-, and methane-fueled flames burning in coflowing air with fuel-port diameters of 1.7, 3.2, and 6.4 mm, fuel jet Reynolds numbers of 18-121; air coflow velocities of 0-6 m/s; and air/fuel-stream velocity ratios of 0.003-70. Measurements included laminar soot-point flame lengths, laminar soot-point fuel flow rates, and laminar liftoff conditions. The measurements show that laminar soot-point flame lengths and fuel flow rates can be increased, broadening the range of fuel flow rates where the flames remain soot free, by increasing air/fuel-stream velocity ratios. The mechanism of this effect involves the magnitude and direction of flow velocities relative to the flame sheet where increased air/fuel-stream velocity ratios cause progressive reduction of flame residence times in the fuel-rich soot-formation region. The range of soot-free conditions is limited by both liftoff, particularly at low pressures, and the intrusion of effects of buoyancy on effective air/fuel-stream velocity ratios, particularly at high pressures. Effective correlations of laminar soot- and smoke-point flame lengths were also found in terms of a corrected fuel flow rate parameter, based on simplified analysis of laminar jet diffusion flame structure. The results show that laminar smoke-point flame lengths in coflowing air environments are roughly twice as long as soot-free (blue) flames under comparable conditions due to the presence of luminous soot particles under fuel-lean conditions when smoke-point conditions are approached. This is very similar to earlier findings concerning differences between laminar smoke- and sootpoint flame lengths in still environments.

Dai, Z.↗
NASA NTRS2011

Modeling the Effects of Ice Accretion on the Low Pressure Compressor and the Overall Turbofan Engine System Performance

The focus of this study is on utilizing a mean line compressor flow analysis code coupled to an engine system thermodynamic code, to estimate the effects of ice accretion on the low pressure compressor, and quantifying its effects on the engine system throughout a notional flight trajectory. In this paper a temperature range in which engine icing would occur was assumed. This provided a mechanism to locate potential component icing sites and allow the computational tools to add blockages due to ice accretion in a parametric fashion. Ultimately the location and level of blockage due to icing would be provided by an ice accretion code. To proceed, an engine system modeling code and a mean line compressor flow analysis code were utilized to calculate the flow conditions in the fan-core and low pressure compressor and to identify potential locations within the compressor where ice may accrete. In this study, an "additional blockage" due to the accretion of ice on the metal surfaces, has been added to the baseline aerodynamic blockage due to boundary layer, as well as the blade metal blockage. Once the potential locations of ice accretion are identified, the levels of additional blockage due to accretion were parametrically varied to estimate the effects on the low pressure compressor blade row performance operating within the engine system environment. This study includes detailed analysis of compressor and engine performance during cruise and descent operating conditions at several altitudes within the notional flight trajectory. The purpose of this effort is to develop the computer codes to provide a predictive capability to forecast the onset of engine icing events, such that they could ultimately help in the avoidance of these events.

Veres, Joseph P.↗
DOE OSTI2015

Influence of specimen size/type on the fracture toughness of five irradiated RPV materials

The Heavy-Section Steel Irradiation (HSSI) Program had previously irradiated five reactor pressure vessel (RPV) steels/welds at fast neutron fluxes of about 4 to 8 x 10 11 n/cm 2 /s (>1 MeV) to fluences from 0.5 to 3.4 10 19 n/cm 2 and at 288 °C. The unirradiated fracture toughness tests were performed by Oak Ridge National Laboratory with 12.7-mm and 25.4-mm thick (0.5T and 1T) compact specimens, while the HSSI Program provided tensile and 5 x 10-mm three-point bend specimens to SCK-CEN for irradiation in the in-pile section of the Belgian Reactor BR2 at fluxes > 10 13 n/cm 2 /s and subsequent testing by SCK-CEN. The BR2 irradiations were conducted at about 2 and 4 x 10 13 n/cm 2 /s with irradiation temperature between 295 °C and 300 °C (water temperature), and to fluences between 6 and 10 x 10 19 n/cm 2 . The irradiation-induced shifts of the Master Curve reference temperatures, ΔT 0 , for most of the materials deviated from the embrittlement correlations much more than expected, motivating the testing of 5 x 10-mm three-point bend specimens of all five materials in the unirradiated condition to eliminate specimen size and geometry as a variable. Tests of the unirradiated small bend specimens resulted in Master Curve reference temperatures, T 0 , 25 °C to 53 °C lower than those from the larger compact specimens, meaning that the irradiation-induced reference temperature shifts, ΔT 0 , were larger than the initial measurements, resulting in much improved agreement between the measured and predicted fracture toughness shifts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase distribution in Fischer-Tropsch mimicked slurry bubble column via computed tomography

This study aims to investigate the phases distribution and hydrodynamics in an air-Therminol LT-glass beads slurry bubble column reactor in bubbly and churn-turbulent flow regimes by implementing a gamma-ray computed tomography. It is found that gas holdup increases with increasing superficial gas velocity and operating pressure while increasing solids loading has an opposite effect on gas holdup measurements. It is noticed that the pressure effect is more significant at high solids loading and the solids loading is relatively more substantial at lower pressure. Solids loading has the most significant a stronger effect on the solids holdup profile than on the gas holdup profile. Current results were compared with the Sedimentation-Dispersion Model (SDM) predictions. Overall, the findings of this study advance the knowledge of the true behavior of phases distribution in FT mimicked slurry bubble columns which are pertinent in designing such reactors.

42 ENGINEERING↗
NASA NTRS1975

The effect of air flow, panel curvature, and internal pressurization on field-incidence transmission loss

In the context of sound transmission through aircraft fuselage panels, equations for the field-incidence transmission loss (TL) of a single-walled panel are derived that include the effects of external air flow, panel curvature, and internal fuselage pressurization. These effects are incorporated into the classical equations for the TL of single panels, and the resulting double integral for field-incidence TL is numerically evaluated for a specific set of parameters.

Koval, L. R.↗
NASA NTRS1937

Pressure Drop Across Finned Cylinders Enclosed in a Jacket

The pressure drop across finned cylinders in a jacket for a range of air speeds from approximately 13 to 230 miles per hour has been investigated. Tests were made to determine the effect on the pressure drop of changes in fin space, fin width, jacket entrance and exit areas, skirt-approach radius, and the use of fillets and a separator plate at the rear of the cylinder. The pressure drop across the cylinder increased as the fin space decreased, the increase being very rapid at fin spaces smaller than approximately 0.20 inch. Fin width had little effect on the pressure drop for the range of widths tested. The pressure drop across the cylinder was nearly halved by increasing the skirt-approach radius from 3/4 inch to 1-1/4 inches, but fillets and a separator plate at the rear of the cylinder had little effect on the pressure drop. The pressure drop across a cylinder with tapered fins was greater than that for a cylinder having rectangular fins with the same effective fin spacing.

Rollin, Vern G↗
DOE OSTI2015

Seismicity on the western Greenland Ice Sheet: Surface fracture in the vicinity of active moulins

We analyzed geophone and GPS measurements collected within the ablation zone of the western Greenland Ice Sheet during a ~35 day period of the 2011 melt season to study changes in ice deformation before, during, and after a supraglacial lake drainage event. During rapid lake drainage, ice flow speeds increased to ~400% of winter values, and icequake activity peaked. At times >7 days after drainage, this seismicity developed variability over both diurnal and longer periods (~10 days), while coincident ice speeds fell to ~150% of winter values and showed nightly peaks in spatial variability. Approximately 95% of all detected seismicity in the lake basin and its immediate vicinity was triggered by fracture propagation within near-surface ice (<330 m deep) that generated Rayleigh waves. Icequakes occurring before and during drainage frequently were collocated with the down flow (west) end of the primary hydrofracture through which the lake drained but shifted farther west and outside the lake basin after the drainage. We interpret these results to reveal vertical hydrofracture opening and local uplift during the drainage, followed by enhanced seismicity and ice flow on the downstream side of the lake basin. This region collocates with interferometric synthetic aperture radar-measured speedup in previous years and could reflect the migration path of the meltwater supplied to the bed by the lake. The diurnal seismic signal can be associated with nightly reductions in surface melt input that increase effective basal pressure and traction, thereby promoting elevated strain in the surficial ice.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Improved Kelbg Potentials for Z > 1 and Application to Carbon Plasmas

In this work, we present a general form for the electron‐ion diffractive potential derived from the quantum pair density matrix and fit to the improved Kelbg potential for atomic numbers up to $Z = 54$. We apply classical molecular dynamics using the improved Kelbg potential for carbon with various forms of the Pauli potential to compute internal energies and pressures for hot, dense plasma conditions. Our results are compared to an equation of state model based on path integral Monte Carlo and density functional theory simulations to examine the extent to which the improved Kelbg potential reproduces the internal energy and pressure of carbon plasmas. The regions of validity for carbon agree generally with those derived previously for hydrogen once pressure ionization effects are incorporated. Based on our carbon results and previously published hydrogen studies, we discuss the general applicability and limitations of these potentials for equation of state studies in warm dense matter and high energy density plasmas.

general physics↗
DOE OSTI2018

Hysteresis in Coolant Radiolysis in a Pressurized-Water Reactor and its Effect on the Critical Hydrogen Concentration

Mathematical modeling is used to investigate the effect of the thermophysical non-uniformity of the core in a reactor on the behavior of radiation-chemical processes in the first-loop water coolant of pressurizedwater power reactors. The problem of determining the critical hydrogen concentration in coolant that is sufficient to maintain the concentration of oxidizers in the coolant at a corrosion safe level is used as an example. It is shown that in a reactor the critical hydrogen concentration may not have a definite value but rather a range of values dependent on the radiation-chemical process and the reactor’s thermo- and neutron-physical parameters. Calculations also showed that the conditions under which oxidizer formation is suppressed can be determined accurately only with detailed three-dimensional modeling of thermophysical phenomena and radiation-chemical transformations in the entire core volume.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

A theoretical study of the stability of anionic defects in cubic ZrO 2 at extreme conditions

Using first principles density functional theory calculations, we present a study of the structure, mobility, and the thermodynamic stability of anionic defects in the high-temperature cubic phase of ZrO 2 . Our results suggest that the local structure of an oxygen interstitial depends on the charge state and the cubic symmetry of the anionic sublattice is unstable at 0 K. In addition, the oxygen interstitials and the vacancies exhibit symmetry breaking transitions to low-energy structures with tetragonal distortion of the oxygen sublattice at 0 K. However, the vibrational entropy stabilizes the defect structures with cubic symmetry at 2600–2980 K. The formation free energies of the anionic defects and Gibbs free energy changes associated with different defect reactions are calculated by including the vibrational free energy contributions and the effect of pressure on these defect structures. By analyzing the defect chemistry, we obtain the defect concentrations at finite temperature and pressure conditions using the zero temperature ab initio results as input and find that at low oxygen partial pressures, neutral oxygen vacancies are most dominant and at high oxygen partial pressures, doubly charged anionic defects are dominant. As a result, the relevance of the results to the thermal protective coating capabilities of zirconium-based ceramic composites is elucidated.

36 MATERIALS SCIENCE↗
DOE OSTI2018

First-Principles Investigation of Ferromagnetic, Thermodynamic, Elastic, and Half-Metallic Behavior of ReCrTe and RuCrTe Half-Heusler Alloys

Calculations are realized within the full-potential linearized augmented plane wave (FP-LAPW) computational approach with the generalized gradient approximation (GGA) for the exchange-correlation potential. In this work, we present investigation of structural, electronic, ferromagnetic, elastic, and thermodynamic properties and half-metallic behavior of ReCrTe and RuCrTe compounds. Analysis of band structures and densities of states show the half-metallic ferromagnetic behavior of these compounds. The values of total magnetic moments µ{sub tot} are 1 µ{sub B} per unit cell for ReCrTe and 3 µ{sub B} per unit cell for RuCrTe. The contribution of Cr is the most important. The calculated values of a total magnetic moment nicely follow the rule µ{sub tot} = Z{sub t}− 18. The study of the impacts of strains on the magnetic moment reveals that the two compounds are stable ferromagnetic compounds. RuCrTe compound preserves the half-metallic behavior when the unit cell volume is changed in the range of [ − 4%, 4%], whereas, weak strain destroys the half metallic nature for ReCrTe compound. Using the quasi-harmonic Debye model, the effects of pressure P and temperature T on thermal expansion coefficient, Debye temperature, heat capacity and Grüneisen parameter for these two compounds are investigated for the first time. The study of the elastic constants shows that ReCrTe and RuCrTe are mechanically stable. RuCrTe is stiffer than ReCrTe compounds. The obtained values of Pugh’s ratio B/G and Cauchy pressure (C{sub 12} − C{sub 44}) reveal that ReCrTe and RuCrTe are brittle. The study of the electron charge density and Poisson’s ratio proves that the ionic character dominates the atomic bonding for the two compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Investigation of the Thermodynamic and Electronic Properties of Double Perovskite Ca{sub 2}CoNbO{sub 6}

In the present work, a self-consistent ab initio calculation using the full-potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, and thermodynamic properties of Ca{sub 2}CoNbO{sub 6} double perovskite compound. The generalized gradient approximation (GGA) described by Perdew–Burke–Ernzerhof (PBE) and GGA + U were used. The results obtained for the electronic properties show a ferrimagnetic and half-metallic behavior of the compound. The novelty of our work is the study of the thermodynamic properties of Ca{sub 2}CoNbO{sub 6} double perovskite such as heat capacity and Debye temperature which showed an important effect of pressure compared to the temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Methane Diffusion and Adsorption in Shale Rocks: A Numerical Study Using the Dusty Gas Model in TOUGH2/EOS7C-ECBM

Gas production from shale gas reservoirs plays a significant role in satisfying increasing energy demands. Compared with conventional sandstone and carbonate reservoirs, shale gas reservoirs are characterized by extremely low porosity, ultra-low permeability and high clay content. Slip flow, diffusion, adsorption and desorption are the primary gas transport processes in shale matrix, while Darcy flow is restricted to fractures. Understanding methane diffusion and adsorption, and gas flow and equilibrium in the low-permeability matrix of shale is crucial for shale formation evaluation and for predicting gas production. Modeling of diffusion in low-permeability shale rocks requires use of the Dusty gas model (DGM) rather than Fick’s law. The DGM is incorporated in the TOUGH2 module EOS7C-ECBM, a modified version of EOS7C that simulates multicomponent gas mixture transport in porous media. Also included in EOS7C-ECBM is the extended Langmuir model for adsorption and desorption of gases. In this study, a column shale model was constructed to simulate methane diffusion and adsorption through shale rocks. The process of binary CH 4 - N 2 diffusion and adsorption was analyzed. A sensitivity study was performed to investigate the effects of pressure, temperature and permeability on diffusion and adsorption in shale rocks. The results show that methane gas diffusion and adsorption in shale is a slow process of dynamic equilibrium, which can be illustrated by the slope of a curve in CH4mass variation. The amount of adsorption increases with the pressure increase at the low pressure, and the mass change by gas diffusion will decrease due to the decrease in the compressibility factor of the gas. With the elevated temperature, the gas molecules move faster and then the greater gas diffusion rates make the process duration shorter. The gas diffusion rate decreases with the permeability decrease, and there is a limit of gas diffusion if the permeability is less than 1.0×10 -15 m 2 . In conclusion, the results can provide insights for a better understanding of methane diffusion and adsorption in the shale rocks so as to optimize gas production performance of shale gas reservoirs.

04 OIL SHALES AND TAR SANDS↗