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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Macrosegregation and nucleation in undercooled Pb-Sn alloys

A novel technique resulting in large undercoolings in bulk samples (23 g) of lead-tin alloys was developed. Samples of Pb-12.5 wt percent Sn, Pb-61.9 wt.% Sn, and Pb-77 wt.% Sn were processed with undercoolings ranging from 4 to 34 K and with cooling rates varying between 0.04 and 4 K/s. The nucleation behavior of the Pb-Sn system was found to be nonreciprocal. The solid Sn phase effectively nucleated the Pb phase of the eutectic; however, large undercoolings developed in Sn-rich eutectic liquid in the presence of the solid Pb phase. This phenomenon is believed to be mainly the result of differences in interfacial energies between solid Sn-eutectic liquid, and solid Pb-eutectic liquid rather than lattice misfit between Pb and Sn. Large amounts of segregation developed in the highly undercooled eutectic ingots. This macrosegregation was found to increase as undercooling increases. Macrosegregation in these undercooled eutectic alloys was found to be primarily due to a sink/float mechanism and the nucleation behavior of the alloy. Lead-rich dendrites are the primary phase in the undercooled eutectic system. These dendrites grow rapidly into the undercooled bath and soon break apart due to recalescence and Sn enrichment of the liquid. These fragmented Pb dendrites are then free to settle to the bottom portion of the ingot causing the macrosegregation observed in this study. A eutectic Pb-Sn alloy undercooled 20 K and cooled at 4 K/s had a composition of about Pb-72 wt.% Sn at the top and 55% Sn at the bottom.

Degroh, Henry C., III↗
DOE OSTI2021

Improvement of the $\mathrm{BISON U_3Si_2}$ modeling capabilities based on multiscale developments to modeling fission gas behavior

Uranium silicide (U 3 Si 2 ) is a concept explored as a potential alternative to UO 2 fuel used in light water reactors (LWRs) since it may improve accident tolerance and economics due to its higher thermal conductivity and increased uranium density. U 3 Si 2 has been previously used in research reactors in the form of dispersion fuel, but operated at lower temperatures than commercial LWRs. The research reactor data illustrated that significant gaseous swelling occurs as the fuel burnup increases. Therefore, it is imperative to understand the fission gas behavior of U 3 Si 2 under higher temperature LWR operating conditions. In this work, molecular dynamics and phase-field modeling techniques are used to reduce the uncertainty in select modeling assumptions made in developing the fission gas behavior model for U 3 Si 2 in the BISON fuel performance code. These lower length scale informed models are then utilized in the validation of BISON U 3 Si 2 modeling capabilities to simulate the ATF-1 experiments irradiated in the Advanced Test Reactor (ATR). Sensitivity analysis (SA) and uncertainty quantification (UQ) are included as part of the validation process to identify where further experiments and lower length scale modeling would be beneficial. Here, the multiscale modeling approach utilized in this work can be applied to new fuel concepts being explored for both LWRs and advanced reactors (e.g., uranium nitride, uranium carbide).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1989

High temperature creep behavior of single crystal gamma prime and gamma alloys

The creep behavior of single crystals of gamma-prime and gamma alloys were investigated and compared to the response of two-phase superalloys tested previously. High temperature deformation in the gamma alloys was characteristic of a climb-controlled mechanism, whereas the gamma-prime based materials exhibited glide-controlled creep behavior. The superalloys were much more creep resistant than their constituent phases, which indicates the importance of the gamma/gamma-prime interface as a barrier for dislocation motion during creep.

Nathal, M. V.↗
NASA NTRS1985

Solar flare development during the impulsive phase as deduced from correlated radio and hard X-ray observations

A correlative study of metric type III/V bursts and hard X-ray events during the preflash and the impulsive phases of solar flares is presented. A total of 55 groups of type III bursts were observed with the Nancay radiospectrograph, and 32 of these were associated with hard X-ray bursts detected with instruments on ISEE 3, SMM, or both. X-ray bursts associated with type III or U bursts, and type V continuum emission lasting less than 10 s are relatively small, with peak fluxes at 30 keV of not more than 1 photon/sq cm per sec per keV. X-ray bursts associated with type III bursts and continuum emission lasting longer than 30 s are considerably more intense, with peak fluxes at 30 keV exceeding 1 photon/sq cm per sec per keV and spectra extending to not less than 100 keV. For these latter events, type III emission was observed at 169 MHz with the Nancay radioheliograph from several locations during the preflash phase. At the time of the rapid increase in the hard X-ray flux, a new source appeared at 169 MHz and proceeded to fluctuate in phase with one of the original sources that brightened at the same time. This type of behavior, observed in 13 flares, is interpreted as being caused by the rapid interaction of two or more magnetic structures giving rise to the impulsive phase of the flare.

Raoult, A.↗
DOE OSTI2020

Test of the Dynamic-Domain and Critical Scattering Hypotheses in Cubic Methylammonium Lead Triiodide

We investigate the hypothesis of dynamic tetragonal domains occurring in cubic CH 3 NH 3 PbI 3 using high-resolution neutron spectroscopy to study a fully deuterated single crystal. The R-point scattering above the 327.5 K cubic-tetragonal phase transition is always resolution limited in energy and therefore inconsistent with dynamic-domain predictions. This behavior is instead consistent with the central peak phenomenon observed in other perovskites. Here, the scattering may originate from small, static, tetragonal-phase domains nucleating about crystal defects, and the temperature dependence demonstrates the transition is first order.

14 SOLAR ENERGY↗
DOE OSTI2024

In-situ HRTEM observations of intermediate phase transformation in lattice reorientation in HCP rhenium

In-situ high-resolution transmission electron microscopy (HRTEM) is performed to investigate the deformation behavior of hexagonal close-packed rhenium (Re) which is compressed along the $\langle1\overline{1}00\rangle$ direction. Atomistic simulations are also conducted to better understand the deformation mechanisms. Two types of lattice reorientation are observed during compression. The first type involves the reorientation of one lattice by ~90° around $\langle1\overline{1}00\rangle$, which is accomplished by the formation of an intermediate face-center-cubic (FCC) phase at the interface. This transformation sequence can be described as {$1\overline{1}00$} matrix → {$111$} FCC → ($0001$) twin . In the second type, a new grain is formed but does not satisfy any known twin relationship with the matrix, and an intermediate FCC phase is also formed. The transformation sequence can be described as {$1\overline{1}00$} matrix → {$111$} FCC → ($0001$) grain . Mechanisms responsible for the observed lattice reorientation and sequential phase transitions are analyzed by conducting lattice correspondence analyses on the simulation results. Strain accommodation is also analyzed to explain the mechanisms for lattice reorientation and the intermediate phase transformations. In conclusion, the results provide new insight into the deformation behavior of HCP metals

36 MATERIALS SCIENCE↗
NASA NTRS1988

On the torque and wear behavior of selected thin film MOS2 lubricated gimbal bearings

During the thermal vacuum test phase of the GOES 7 spacecraft, the primary scan mirror system exhibited unacceptably high drive friction. The observed friction was found to correlate with small misalignments in the mirror structure and unavoidable loads induced by the vehicle spin. An intensive effort to understand and document the performance of the scan mirror bearing system under these loads is described. This effort involved calculation of the bearing loads and expected friction torque, comparison of the computed values to test data, and verification of the lubrication system performance and limitations under external loads. The study culminated in a successful system launch in February of 1987. The system has operated as predicted since that time.

Bohner, John J.↗
NASA NTRS1989

The transient behavior of weldpools with a deformed free surface

Transient heat transfer, fluid flow and phase change in a weldpool with a deformed free surface are modeled using a two-dimensional coordinate transfornmation. The theoretical approach makes it possible to accurately model high Marangoni number flows even when the free surface is not horizontal. The method is used to examine the role of surface deformation and surface tension forces in controlling weld penetration during cathode spot welding of steel and aluminum. The calculated flow fields, temperature distributions and weldpool shapes are consistent with experimental findings, and are in reasonable agreement with previously published modeling efforts.

Thompson, M. E.↗
DOE OSTI2020

Potential Control of Oxygen Non-Stoichiometry in Cerium Oxide and Phase Transition Away from Equilibrium

Cerium oxide (ceria, CeO 2 ) is a technologically important material for energy conversion applications. Its activities strongly depend on redox states and oxygen vacancy concentration. Understanding the functionality of chemical active species and behavior of oxygen vacancy during operation, especially in high-temperature solid-state electrochemical cells, is the key to advance future material design. Herein, the structure evolution of ceria is spatially resolved using bulk-sensitive operando X-ray diffraction and spectroscopy techniques. During water electrolysis, ceria undergoes reduction, and its oxygen non-stoichiometry shows a dependence on the electrochemical current. Cerium local bonding environments vary concurrently to accommodate oxygen vacancy formation, resulting in changes in Ce-O coordination number and Ce 3+ /Ce 4+ redox couple. When reduced enough, a crystallographic phase transition occurs from α to an α' phase with more oxygen vacancies. Nevertheless, the transition behavior is intriguingly different from the one predicted in the standard phase diagram of ceria. This work demonstrates a feasible means to control oxygen non-stoichiometry in ceria via electrochemical potential. It also sheds light on the mechanism of phase transitions induced by electrochemical potential. For electrochemical systems, effects from a large-scale electrical environment should be taken into consideration, besides effective oxygen partial pressure and temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Time Temperature-Precipitation Behavior in An Al-Cu-Li Alloy 2195

Al-Cu-Li alloy 2195, with its combination of good cryogenic properties, low density, and high modulus, has been selected by NASA to be the main structural alloy of the Super Light Weight Tank (SLWT) for the Space Shuttle. Alloy 2195 is strengthened by an aging treatment that precipitates a particular precipitate, labeled as T1(Al2CuLi). Other phases, such as GP zone, (theta)', (theta)", theta, (delta)', S' are also present in this alloy when artificially aged. Cryogenic strength and fracture toughness are critical to the -SLWT application, since the SLWT will house liquid oxygen and hydrogen. Motivation for the Time-Temperature-Precipitation (TTP) study at lower temperature (lower than 350 F) comes in part from a recent study by Chen, The study found that the cryogenic fracture toughness of alloy 2195 is greatly influenced by the phases present in the matrix and subgrain boundaries. Therefore, the understanding of TTP behavior can help develop a guideline to select appropriate heat treatment conditions for the desirable applications. The study of TTP behavior at higher temperature (400 to 1000 F) was prompted by the fact that the SLWT requires a welded construction. Heat conduction from the weld pool affects the microstructure in the heat-affected zone (HAZ), which leads to changes in the mechanical properties. Furthermore, the SLWT may need repair welding for more than one time and any additional thermal cycles will increase precipitate instability and promote phase transformation. As a result considerable changes in HAZ microstructure and mechanical properties are expected during the construction of the SLWT. Therefore, the TTP diagrams can serve to understand the thermal history of the alloy by analyzing the welded microstructure. In the case welding, the effects of thermal cycles on the microstructure and mechanical properties can be predicted with the aid of the TTP diagrams. The 2195 alloy (nominally Al + 4 pct Cu + 1 pct Li + 0.3 pct Ag + 0.3 pct Mg + 0.1 pct Zr) used in this study was received in the form of 1.7 inch thick rolled plates. In brief goal of this study is to develop TTR diagram for the solutiontreated and stretched alloy 2195 from which the precipitation sequence at any service or aging conditions can be preducted.A subgrain boundary TTR diagram is also presented since precipitations at subgrain boundary can control and/or modify a wide veriety of material properties, such as cryogenic fracture toughness.

Chen, P. S.↗
DOE OSTI2024

From phase decomposition to evaporation: A multi-modal evaluation of thermally degraded model lightweight high-entropy alloy

Lightweight high-entropy alloys (LHEAs) have the potential to replace conventional lightweight materials due to their superior mechanical properties and thermal stability. However, the thermal degradation pattern of LHEAs from phase decomposition to evaporation is not clear. We develop a new Al-based dual phase (FCC + HCP) LHEA—AlTi 0.45 CuZn, and further investigate its thermal degradation behavior for potential high-temperature structural applications. Using multimodal advanced characterization techniques such as differential scanning calorimetry/thermogravimetric analysis, scanning/transmission electron microscopy, and synchrotron X-ray diffraction/pair distribution function (XRD/PDF), a sequence of thermal degradation events beyond the thermal phase stability limit—between 250 and 360 °C—is observed. These include phase decomposition at ~360 °C, Zn evaporation at ~750 °C, and LHEA melting at 880 °C which results in ~25% cumulative weight loss. The formation of Al-Ti phase off the AlTi 0.45 CuZn matrix is due to the largest negative mixing enthalpy for Al-Ti than other binary pairs. Similarly, Zn evaporation from AlTi 0.45 CuZn LHEA is due to its faster evaporation rate than other constituent elements. The high-resolution synchrotron XRD and PDF results support the aforementioned observations; in addition, they reveal local atomic arrangements, local strain, and sluggish grain growth in the LHEA. Among other LHEAs of close density range (5.55 ≤ ρ ≤ 5.85 g/cc), the investigated LHEA exhibits outstanding nano-indentation hardness values due to the coupled grain size effect and HCP phase strengthening of the FCC matrix. As the search for LHEAs for lightweight applications grows, this study shows the potential use of AlTi 0.45 CuZn LHEA for structural applications even at elevated temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures

A combination of in operando IR and XRD methods were used to investigate the interaction of variably hydrated supercritical CO2-CH4 fluids with Na/NH4/Cs substituted montmorillonites. Comparing the behavior of Na-clay exposed to CH4 versus CO2 dominant fluid phases demonstrated that CO2 disrupts the H-bond network of intercalated H2O. At relatively low potentials of H2O, CO2 facilitates H2O intercalation and expansion of the interlayer region of the Na-clay. In contrast, CO2 inhibited H2O intercalation but promoted expansion of the Cs-clay. The NH4-clay displayed intermediated behavior. Methane likely intercalated the clays but opportunistically, filling unoccupied space after CO2 and H2O actively expanded the interlayer region. By comparing and contrasting the behavior of the Cs and NH4 clays to the Na Clay we conclude that, whereas H2O is required for initial Na-clay expansion, CO2 synergistically facilitated expansion and hydration of Na-clay by mixing with H2O (the entropic contribution) and participating in the outer solvation sphere of Na (the enthalpic contribution). In contrast, CO2 can directly solvate interlayer Cs and NH4 and cause expansion in the absence of H2O; nonetheless, H2O and CO2 also act synergistically to facilitate expansion of the Cs and NH4 clays at low H2O concentrations.

Loring, John S.↗
DOE OSTI2024

Manipulating the diffusion energy barrier at the lithium metal electrolyte interface for dendrite-free long-life batteries

Abstract Constructing an artificial solid electrolyte interphase (SEI) on lithium metal electrodes is a promising approach to address the rampant growth of dangerous lithium morphologies (dendritic and dead Li 0 ) and low Coulombic efficiency that plague development of lithium metal batteries, but how Li + transport behavior in the SEI is coupled with mechanical properties remains unknown. We demonstrate here a facile and scalable solution-processed approach to form a Li 3 N-rich SEI with a phase-pure crystalline structure that minimizes the diffusion energy barrier of Li + across the SEI. Compared with a polycrystalline Li 3 N SEI obtained from conventional practice, the phase-pure/single crystalline Li 3 N-rich SEI constitutes an interphase of high mechanical strength and low Li + diffusion barrier. We elucidate the correlation among Li + transference number, diffusion behavior, concentration gradient, and the stability of the lithium metal electrode by integrating phase field simulations with experiments. We demonstrate improved reversibility and charge/discharge cycling behaviors for both symmetric cells and full lithium-metal batteries constructed with this Li 3 N-rich SEI. These studies may cast new insight into the design and engineering of an ideal artificial SEI for stable and high-performance lithium metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

High‐Pressure Phase Stability and Thermoelastic Properties of Iron Carbonitrides and Nitrogen in the Deep Earth

Abstract Iron‐dominant metallic phases are likely the primary hosts for nitrogen in the reduced deep Earth, hence the storage of nitrogen in the lower mantle and the core is governed by the behavior of the Fe‐N‐C system at high temperatures and pressures. In this study, phase transitions and thermoelastic properties of iron carbonitrides were investigated at high pressure‐temperature conditions by diamond anvil cell experiments and first‐principles calculations. Experimental data revealed no phase transition in ε ‐type Fe 4 (N 0.6 C 0.4 ) or Fe 7 (N 0.75 C 0.25 ) 3 up to 60 GPa at room temperature. At high temperature, Fe 7 (N 0.75 C 0.25 ) 3 transforms into the Fe 3 C‐type phase at ∼27 GPa, and then into the Fe 7 C 3 ‐type phase at ∼45 GPa, which is also corroborated by our theoretical calculations. We found that the phase stability of iron carbonitrides mainly depends on the N/C ratio, and the elastic properties of iron carbonitrides are dominantly affected by the Fe/(N+C) ratio. Iron carbonitrides with diverse structures may be the main host for nitrogen in the deep mantle. Some iron carbonitride inclusions in lower mantle diamonds could be the residue of the primordial mantle or originate from subducted nitrogen‐bearing materials, rather than iron‐enriched phases of the outer core. In addition, our experiments confirmed the existence of Fe 7 C 3 ‐type Fe 7 C 3 ‐Fe 7 N 3 solid solutions above 40 GPa. Fe 7 C 3 ‐type Fe 7 (C, N) 3 has comparable density and thermoelastic properties to its isostructural endmembers and may be a promising candidate constituent of the Earth's inner core.

Huang, Shengxuan↗
NASA NTRS1977

Phase relations in the Fe-Ni-Cr-S system and the sulfidation of an austenitic stainless steel

The stability fields of various sulfide phases that form on Fe-Cr, Fe-Ni, Ni-Cr and Fe-Cr-Ni alloys were developed as a function of temperature and the partial pressure of sulfur. The calculated stability fields in the ternary system were displayed on plots of log P sub S sub 2 versus the conjugate extensive variable which provides a better framework for following the sulfidation of Fe-Cr-Ni alloys at high temperatures. Experimental and estimated thermodynamic data were used in developing the sulfur potential diagrams. Current models and correlations were employed to estimate the unknown thermodynamic behavior of solid solutions of sulfides and to supplement the incomplete phase diagram data of geophysical literature. These constructed stability field diagrams were in excellent agreement with the sulfide phases and compositions determined during a sulfidation experiment.

Jacob, K. T.↗
DOE OSTI2020

A numerical-homogenization based phase-field fracture modeling of linear elastic heterogeneous porous media

Most porous media, such as geomaterials and biomaterials are highly heterogeneous in nature, and they contain large variations of microscopic pore structures, such as pore sizes, pore distribution, and pore shapes. The oscillation of microscopic structures is a substantial challenge in theoretical characterization and is usually ignored in continuous modeling. However, mechanical behavior of porous media such as deformation and failure, are essentially impacted by the microscopic heterogeneity which needs to be considered in modeling a porous media. Here, this research proposes a numerical modeling framework with a capability to investigate the effect of microscopic heterogeneity on the macroscopic fracture behavior in porous media by using a numerical homogenization technique, combined with the phase-field fracture modeling method. This numerical modeling strategy computes a homogenized elasticity tensor based on microscopic heterogeneous pore structures heterogenous porous domain by solving boundary value problems at microscopic domain. The strain energy and subsequent propagation of macroscopic fractures will be updated using homogenized stiffness information. Using this numerical scheme, the microscopic pore structure’s impact on the fracture behavior through the homogenized elastic tensor will be taken into account. This multiscale technique is benchmarked against classical problems. Finally, the results highlight the importance of the underlying pore structure and reveal that both fracture strength and propagation path can be influenced by the microscopic heterogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scaling of two-phase water-steam relative permeability and thermal fluxes in porous media

Two-phase water-steam flow conditions are frequently encountered in many engineering applications, including geothermal reservoirs. Although routine calculations are based on the multiphase Darcy’s law, the role of the topology of the flowing phases at the pore-scale is usually neglected in the estimation of relative permeabilities. Instead, the latter are frequently computed using empirical models like the Corey correlation. In this work, we first apply the model for relative permeabilities based on pore-scale flow regimes developed by Picchi and Battiato (2019), Relative permeability scaling from pore-scale flow regimes, Water Resour. Res. 55, 3215–3233, to scenarios typical of geothermal reservoirs and then extend it by deriving the scaling laws for the transmissibilities and the thermal properties as a function of temperature. First, we discuss the scaling behavior of normalized relative permeabilities in terms of viscosity ratio and capillary number of water-steam systems and, then, we provide a validation of the model against experimental data available in the literature. The model captures well the data trends collected in real 3D porous media. These results suggest that water-steam relative permeabilities follow the same scaling behavior of gas-liquid systems where the non-wetting phase is much less viscous than the wetting phase. Finally, we investigate the impact that relative permeabilities have on heat transfer rates at two-phase flow conditions and the scaling of mass and energy transmissibility and thermal properties of the mixture. An estimation of the exergy carried by the two-phase water-steam mixture is also included.

42 ENGINEERING↗
NASA NTRS1991

Structure of medium Mach number quasi-parallel shocks - Upstream and downstream waves

The transition from steady low-Mach-number to unsteady high-Mach-number quasi-parallel shocks was investigated by performing large-scale 1D hybrid code simulations at increasing Mach numbers. It was found that only at very low Mach number shocks the steepening is limited by upstream phase-standing whistlers, as predicted by the classical theory (Tidman and Northrop, 1968). In the intermediate region of Mach numbers between 1.5 and 3.5, a very diverse behavior is observed. Backstreaming ions generate fast magnetosonic waves which dominate the upstream, with wavelengths longer than phase-standing whistlers. At increasing Mach numbers, the phase and group velocities of the dominant waves are reduced until they point back toward the shock; when there is sufficient energy flux in these waves, they lead to unsteady shock behavior and eventually to shock reformation.

Krauss-Varban, D.↗