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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 1,585 records · Page 88

Anharmonic phonon damping enhances the T c of BCS-type superconductors

In this study, a theory of superconductivity is presented where the effect of anharmonicity, as entailed in the acoustic, or optical, phonon damping, is explicitly considered in the pairing mechanism. The gap equation is solved including diffusive Akhiezer damping for longitudinal acoustic phonons or Klemens damping for optical phonons, with a damping coefficient which, in either case, can be directly related to the Grüneisen parameter and hence to the anharmonic coefficients in the interatomic potential. The results show that the increase of anharmonicity has a strikingly nonmonotonic effect on the critical temperature T c . The optimal damping coefficient yielding maximum T c is set by the velocity of the bosonic mediator. This theory may open up unprecedented opportunities for material design where T c may be tuned via the anharmonicity of the interatomic potential, and presents implications for the superconductivity in the recently discovered hydrides, where anharmonicity is very strong and for which the anharmonic damping is especially relevant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Engineering Interlayer Electron–Phonon Coupling in WS 2 /BN Heterostructures

In van der Waals (vdW) heterostructures, the interlayer electron–phonon coupling (EPC) provides one unique channel to nonlocally engineer these elementary particles. However, limited by the stringent occurrence conditions, the efficient engineering of interlayer EPC remains elusive. Here we report a multitier engineering of interlayer EPC in WS2/boron nitride (BN) heterostructures, including isotope enrichments of BN substrates, temperature, and high-pressure tuning. The hyperfine isotope dependence of Raman intensities was unambiguously revealed. In combination with theoretical calculations, we anticipate that WS2/BN supercells could induce Brillouin-zone-folded phonons that contribute to the interlayer coupling, leading to a complex nature of broad Raman peaks. We further demonstrate the significance of a previously unexplored parameter, the interlayer spacing. By varying the temperature and high pressure, we effectively manipulated the strengths of EPC with on/off capabilities, indicating critical thresholds of the layer–layer spacing for activating and strengthening interlayer EPC. Our findings provide new opportunities to engineer vdW heterostructures with controlled interlayer coupling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Workbook for estimating effects of accidental explosions in propellant ground handling and transport systems

A workbook is presented to supplement an earlier NASA publication, which was intended to provide the designer and safety engineer with rapid methods for predicting damage and hazards from explosions of liquid propellant and compressed gas vessels used in ground storage, transport and handling. Information is presented in the form of graphs and tables to allow easy calculation, using only desk or handheld calculators. Topics covered in various chapters are: (1) estimates of explosive yield; (2) characteristics of pressure waves; (3) effects of pressure waves; (4) characteristics of fragments; and (5) effects of fragments and related topics.

Baker, W. E.↗

Mechanics of Granular Materials (MGM)

The constitutive behavior of uncemented granular materials such as strength, stiffness, and localization of deformations are to a large extend derived from interparticle friction transmitted between solid particles and particle groups. Interparticle forces are highly dependent on gravitational body forces. At very low effective confining pressures, the true nature of the Mohr envelope, which defines the Mohr-Coulomb failure criterion for soils, as well as the relative contribution of each of non-frictional components to soil's shear strength cannot be evaluated in terrestrial laboratories. Because of the impossibility of eliminating gravitational body forces on earth, the weight of soil grains develops interparticle compressive stresses which mask true soil constitutive behavior even in the smallest samples of models. Therefore the microgravity environment induced by near-earth orbits of spacecraft provides unique experimental opportunities for testing theories related to the mechanical behavior of terrestrial granular materials. Such materials may include cohesionless soils, industrial powders, crushed coal, etc. This paper will describe the microgravity experiment, 'Mechanics of Granular Materials (MGM)', scheduled to be flown on Space Shuttle-MIR missions. The paper will describe the experiment's hardware, instrumentation, specimen preparation procedures, testing procedures in flight, as well as a brief summary of the post-mission analysis. It is expected that the experimental results will significantly improve the understanding of the behavior of granular materials under very low effective stress levels.

Alshibli, Khalid A.↗

Direct time-resolved detection and quantification of key reactive intermediates in diethyl ether oxidation at T = 450–600 K

High-pressure multiplexed photoionization mass spectrometry (MPIMS) with tunable vacuum ultraviolet (VUV) ionization radiation from the Lawrence Berkeley Labs Advanced Light Source is used to investigate the oxidation of diethyl ether (DEE). Kinetics and photoionization (PI) spectra are simultaneously measured for the species formed. Several stable products from DEE oxidation are identified and quantified using reference PI cross-sections. In addition, we directly detect and quantify three key chemical intermediates: peroxy (ROO˙), hydroperoxyalkyl peroxy (˙OOQOOH), and ketohydroperoxide (HOOP[double bond, length as m-dash]O, KHP). These intermediates undergo dissociative ionization (DI) into smaller fragments, making their identification by mass spectrometry challenging. Furthermore, with the aid of quantum chemical calculations, we identify the DI channels of these key chemical species and quantify their time-resolved concentrations from the overall carbon atom balance at T = 450 K and P = 7500 torr. This allows the determination of the absolute PI cross-sections of ROO˙, ˙OOQOOH, and KHP into each DI channel directly from experiment. The PI cross-sections in turn enable the quantification of ROO˙, ˙OOQOOH, and KHP from DEE oxidation over a range of experimental conditions that reveal the effects of pressure, O 2 concentration, and temperature on the competition among radical decomposition and second O 2 addition pathways.

42 ENGINEERING↗

The effect of wave-particle interactions on the polar winds O(+)

The escape of the polar wind plasma is an important element in the ionosphere-magnetosphere coupling. Both theory and observations indicate that the wave-particle interactions (WPI) play a significant role in the dynamics of ion outflow along open geomagnetic field lines. A Monte Carlo simulation was developed in order to include the effect of the WPI in addition to the factors that are traditionally included in the 'classical' polar wind (i.e. gravity, electrostatic field, and divergence of geomagnetic field lines). The ion distribution function (f(sub j)), as well as the profiles of its moments (density, drift velocity, temperature, etc.) were found for different levels of WPI, that is, for different values of the normalized diffusion rate in the velocity space (D(tilde) (sub j perpendicular). Although the model included O(=), H(+) and eletrons, we presented only the results related to the O(+) ion. We found that (1) both the density and drift velocity of O(+) increased with the WPI strength, and consequently, the O(+) escape flux was enhanced by a factor of up to 10(exp 5), (2) The O(+) ions could be energized up to a few electron volts; (3) for moderate and high levels of WPI D(tilde) (sub perpendicular) (O(+) greater than (tilde) 1, the distribution function f(O(+)) displayed very pronounced conic features at altitudes around 3 R(sub e). Finally, the interplay between the downward body force, the upward mirror force, and the perpendicular heating resulted in the formation of the 'pressure cooker' effect. This phenomena explained some interesting features of our solution, such as, the peak in the O(=) temperature, and the formation of 'ears' and conics for f(O(+)) around 2.5 R(sub e).

Barakat, A. R.↗

The Effects of Contaminant-Aging on Decontamination Efficacy for Rapid Remediation of Concrete Surfaces - 20412

Understanding the relationship between decontamination efficacy and contaminant aging is imperative for developing effective remediation strategies following a large-scale contamination event. Non-destructive decontamination of concrete following a contamination incident becomes more difficult with increased time between contamination and decontamination because contaminants may chemically bind to concrete and/or penetrate into the concrete subsurface. In this work, we evaluated the decontamination efficacy of two decontamination methods on concrete samples contaminated with soluble Cesium-137 (Cs-137) and silica particles with 0.5 μm and 2 μm diameters. Concrete samples were aged between 1 and 59 days, with half of the coupons receiving 1 mL of artificial rainwater about once every three days. After aging, coupons were either decontaminated or analyzed to determine contaminant penetration depths. Coupons were decontaminated with 0.1 M Potassium Chloride (KCI) solution applied either by flowing solution across the contaminated coupon face or non-destructive power washing. Contaminant depth profiles were created by removing the top surface of the coupon at least 15 times, measuring the activity in each removed layer, normalizing the total activity removed to the measured decontamination efficacy following the last layer removal, and determining the penetration thickness using the coupon dimensions, bulk density, and mass of material removed for each layer. Pressurized washing effectively removed particles, but not soluble cesium, despite the majority of Cs-137 being located within the first millimeter of the subsurface. Soluble cesium removal by flowing 0.1 M KCI solution across the contaminated surface dropped to less than 12% within the first ten days. This drop in Cs-137 removal efficacy occurred within the first five days for coupons experiencing artificial rainfall events. Flowing 0.1 M KCI solution across the contaminated face was ineffective at removing particles, likely because particles had localized in surface depressions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Measurement of Void Fraction Distribution in Steam-Water Two-Phase Flow in a 44 Bundle at 2 MPa

To contribute to the clarification of the Fukushima Daiichi Accident, JAEA is working on getting instantaneous void fraction distribution data in steam-water two-phase flow in rod bundle geometry under high pressure, high temperature condition, with using Wire Mesh Sensor (WMS) developed at JAEA for high pressure, high temperature condition (Up to 2.8 MPa, 230 deg. C), focusing on the low flow rate condition after the reactor scram. The data is expected to be used in the validation of the detailed two-phase flow codes TPFIT and ACE3D developed at JAEA. The time and space averaged void fraction data is also expected being used in the validation of the drift-flux models implemented in the two fluids codes, such as TRACE code. We are still in the middle of the data analyses and here we only report a part of the results. For the present bundle rod geometry, the void fraction shows easily gathered at the center area surrounded by 4 rods and the void fraction in the sub - channels between two adjacent rods are low. Under the same steam vapor flow rate condition, void faction increase with the decrease of the water flow rate. Under the same water flow rate, the void fraction increases with the increase of the steam vapor flow rate. In recent future, we will perform more experiments under further low water flow rate condition, including stagnation condition, to confirm this changing tendency. In the present experimental range, no effect of pressure on void fraction was observed. A 3-layer WMS, with a vertical distance between the adjacent layers of 1.3 mm, was used to measure the local instantaneous void fraction in this research. By using the correlation coefficient method, we can determine the time delay between the bubble detections from the upper and the lower layer sensors. Then the speed of the bubble, and its length, can be calculated. We are working on the establishment of the databank for the slug-churn bubbles information. (authors)

42 ENGINEERING↗

Biphasic Janus Particles Explain Self-Healing in Pt–Pd Diesel Oxidation Catalysts

The addition of Pd to Pt-based diesel oxidation catalysts is known to enhance performance and restrict the anomalous growth of Pt nanoparticles when subjected to aging at high temperatures in oxidative environments. To gain a mechanistic understanding, we studied the transport of the mobile Pt and Pd species to the vapor phase, since vapor phase transport is the primary route for sintering in these catalysts. The results are surprising: there is a 30-fold drop in the effective vapor pressure of Pt in the Pt-Pd catalysts compared to monometallic Pt. At the same time, there is a significant enhancement in the vapor pressure of Pd, compared to PdO, which otherwise has a negligible vapor pressure at the aging temperature. Such behavior cannot be explained simply by alloying Pt and Pd in the metallic phase, or a core-shell morphology where a PdO shell covers a Pt core. Transmission electron microscopic examination of catalysts aged up to 50 h in air at 800 °C shows that the particles exhibit a biphasic “Janus”-like structure. The metal and oxide phases are conjoined, exposing a metal and an oxide face to the gas phase. The high mobility of the Pt and Pd allows them to be partitioned into the metal and oxide phases, in apparent thermodynamic equilibrium. The PdO helps to trap mobile PtO2 and as a result contains high concentrations of Pt oxide, consistent with its role in mitigating the transport of Pt to the vapor phase and preventing the growth of anomalously large particles. In turn, Pt allows Pd to remain metallic, allowing the catalyst to retain both metal and oxide functionality for catalysis. The regeneration of deactivated catalysts typically requires an external input, such as a change in the working environment from reducing to oxidizing or vice-versa. Here, we show that the mobile species, which are primary contributors to catalyst sintering are effectively returned to the active site, hence our use of the term “selfhealing”. The detailed insights into the inner workings of the Pt-Pd diesel oxidation catalysts can help provide clues to the design of robust and durable heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large response of charge stripes to uniaxial stress in La 1.475 Nd 0.4 Sr 0.125 CuO 4

The La-based "214"cuprates host several symmetry-breaking phases, including superconductivity, charge and spin order in the form of stripes, and a structural orthorhombic-to-tetragonal phase transition. Therefore these materials are an ideal system to study the effects of uniaxial stress onto the various correlations that pervade the cuprate phase diagram. We report resonant x-ray scattering experiments on La 1.475 Nd 0.4 Sr 0.125 CuO 4 (LNSCO-125) that reveal a significant response of charge stripes to uniaxial tensile stress of ~0.1GPa. These effects include a reduction of the onset temperature of stripes by ~50K, a 29-K reduction of the low-temperature orthorhombic-to-tetragonal transition, competition between charge order and superconductivity, and a preference for stripes to form along the direction of applied stress. Altogether, we observe a dramatic response of the electronic properties of LNSCO-125 to a modest amount of uniaxial stress.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

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↗

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↗

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↗

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.↗

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.↗

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↗

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.↗