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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Preconditioned steepest descent methods for some nonlinear elliptic equations involving p-Laplacian terms

We describe and analyze preconditioned steepest descent (PSD) solvers for fourth and sixth-order nonlinear elliptic equations that include p-Laplacian terms on periodic domains in 2 and 3 dimensions. The highest and lowest order terms of the equations are constant-coefficient, positive linear operators, which suggests a natural preconditioning strategy. Such nonlinear elliptic equations often arise from time discretization of parabolic equations that model various biological and physical phenomena, in particular, liquid crystals, thin film epitaxial growth and phase transformations. The analyses of the schemes involve the characterization of the strictly convex energies associated with the equations. We first give a general framework for PSD in Hilbert spaces. Based on certain reasonable assumptions of the linear pre-conditioner, a geometric convergence rate is shown for the nonlinear PSD iteration. We then apply the general theory to the fourth and sixth-order problems of interest, making use of Sobolev embedding and regularity results to confirm the appropriateness of our pre-conditioners for the regularized p-Lapacian problems. Our results include a sharper theoretical convergence result for p-Laplacian systems compared to what may be found in existing works. We demonstrate rigorously how to apply the theory in the finite dimensional setting using finite difference discretization methods. Numerical simulations for some important physical application problems – including thin film epitaxy with slope selection and the square phase field crystal model – are carried out to verify the efficiency of the scheme.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Dynamic compression of [100] MgF 2 single crystals: Shock-induced polymorphism to highly coordinated structures

AX 2 -type compounds exhibit a rich and complex series of phase transitions under compression. The high-pressure polymorphism of rutile-type AX 2 difluorides can be characterized by a typical sequence from rutile type → Ca Cl 2 type → HP – Pd F 2 type → cotunnite type . Relative to dioxides, the reduced valence and ionic radius of the F – anion in rutile-type MgF 2 (sellaite) results in lowered transition pressures, making it a useful analog for SiO 2 and other dioxides. In this work, MgF 2 single crystals were shock-compressed along the [100] direction to 24 to 120 GPa using plate impact techniques, and wave profiles were measured using laser interferometry. At low stresses (24 to 44 GPa), we observe features consistent with an elastic–inelastic response, followed by a phase transformation. Peak stress-density states in this stress range are consistent with those expected for the modified fluorite-type (HP- PdF 2 ) phase or a related structure. At higher stresses (69 to 91 GPa), we observe a two-wave structure with peak stress-density states consistent with transformation to a denser and likely more highly coordinated phase such as the cotunnite-type structure. Furthermore, at 120 GPa, only a single wave structure is observed, indicating that the wave profile features observed at lower stresses are overdriven.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermophysical properties of U 3 Si 5 to 1773 K

Possible use of U 3 Si 5 as a nuclear reactor fuel requires knowledge of its thermophysical properties as a function of temperature. While limited data is available for U–Si compounds containing higher uranium densities, no investigations of U 3 Si 5 have been presented in the literature to date. Here, high purity U 3 Si 5 was fabricated to facilitate a set of experiments to determine the coefficient of thermal expansion, heat capacity, thermal diffusivity, and thermal conductivity from room temperature to 1773 K. Each measurement on nearly stoichiometric U 3 Si 5 showed the existence of a phase transformation at 723 K, which is not consistent with the most recently published phase diagram.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Hydrogen embrittlement behaviors of additive manufactured maraging steel investigated by in situ high-energy X-ray diffraction

The microstructures and mechanical properties of additively manufactured (AM) maraging steel were investigated before and after hydrogen charging. The hydrogen-charged specimen suffers severe hydrogen embrittlement and its strength and plasticity decline obviously. The mechanism of ductile-to-brittle transition of AM maraging steel after hydrogen charging was studied by in situ high energy X-ray diffraction and electron backscatter diffraction techniques. Martensitic transformation occurs in the hydrogen-charged specimen under low stress. The premature phase transformation along with hydrogen-induced microcracks resulting in the brittle fracture of the hydrogen-charged specimen.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Wide-range continuous tuning of the thermal conductivity of La0.5Sr0.5CoO3-δ films via room-temperature ion-gel gating

Abstract Solid-state control of the thermal conductivity of materials is of exceptional interest for novel devices such as thermal diodes and switches. Here, we demonstrate the ability to continuously tune the thermal conductivity of nanoscale films of La 0.5 Sr 0.5 CoO 3- δ (LSCO) by a factor of over 5, via a room-temperature electrolyte-gate-induced non-volatile topotactic phase transformation from perovskite (with δ ≈ 0.1) to an oxygen-vacancy-ordered brownmillerite phase (with δ = 0.5), accompanied by a metal-insulator transition. Combining time-domain thermoreflectance and electronic transport measurements, model analyses based on molecular dynamics and Boltzmann transport equation, and structural characterization by X-ray diffraction, we uncover and deconvolve the effects of these transitions on heat carriers, including electrons and lattice vibrations. The wide-range continuous tunability of LSCO thermal conductivity enabled by low-voltage (below 4 V) room-temperature electrolyte gating opens the door to non-volatile dynamic control of thermal transport in perovskite-based functional materials, for thermal regulation and management in device applications.

42 ENGINEERING↗
DOE OSTI2022

Assessing the interfacial corrosion mechanism of Inconel 617 in chloride molten salt corrosion using multi-modal advanced characterization techniques

The United States Department of Energy (DOE) has committed to expanding the domestic clean energy portfolio in response to the rising challenges of energy security in the wake of climate change. Accordingly, the construction of a series of Generation IV reactor technologies are being demonstrated, including sodium-cooled, small modular, and molten chloride fast reactors (MCFRs). To date, there are no fully qualified structural materials for constructing MCFRs. A number of commercial structural alloys have been considered for the construction of MCFRs, including alloys from the Inconel and Hastelloy series. Informed qualification of structural materials for the construction of MCFRs in the future can only be ensured by expanding the current fundamental knowledgebase of information pertaining to material performance under environmental stressors relevant to operation of the reactor, including corrosion susceptibility. The purpose of this investigation is to illustrate how a correlative multi-modal electron microscopy characterization approach, including the novel application of focused-ion beam 3D reconstruction capabilities, can elucidate the corrosion mechanism of a candidate structural material Inconel 617 for MCFR in NaCl-MgCl 2 eutectic salt at 700°C for 1,000 h. Evidence of intergranular corrosion, Ni and Fe dealloying, and Cr-O enrichment along the grain boundary, which most likely corresponds to Cr 2 O 3 , is a phenomenon that has been documented in other Ni-based superalloys exposed to chloride molten salt systems. Additional corrosion products, including the formation of insoluble MgAl 2 O 4 , within the porous network produced by the salt attack is a novel observation. In addition, Mo 3 Si 5 and τ 2 precipitates are detected in the alloy bulk and are dissolved by the salt. Furthermore, the lack of detection of design γ' precipitates in Inconel 617 after 1,000 h could indicate that the molten salt corrosion mechanism has indirectly induced a phase transformation of Al 2 TiNi (τ 2 ) and Ni 3 (Al,Ti) (γ’) phase. This investigation provides a comprehensive understanding of molten salt corrosion mechanisms in a complex material system such as a commercial structural alloy for applications in MCFRs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Different Radiation Tolerances of Ultrafine-Grained Zirconia–Magnesia Composite Ceramics with Different Grain Sizes

Developing high-radiation-tolerant inert matrix fuel (IMF) with a long lifetime is important for advanced fission nuclear systems. In this work, we combined zirconia (ZrO 2 ) with magnesia (M g O) to form ultrafine-grained ZrO 2 –M g O composite ceramics. On the one hand, the formation of phase interfaces can stabilize the structure of ZrO 2 as well as inhibiting excessive coarsening of grains. On the other hand, the grain refinement of the composite ceramics can increase the defect sinks. Two kinds of composite ceramics with different grain sizes were prepared by spark plasma sintering (SPS), and their radiation damage behaviors were evaluated by helium (He) and xenon (Xe) ion irradiation. It was found that these dual-phase composite ceramics had better radiation tolerance than the pure yttria-stabilized ZrO 2 (YSZ) and M g O. Regarding He+ ion irradiation with low displacement damage, the ZrO 2 –M g composite ceramic with smaller grain size had a better ability to manage He bubbles than the composite ceramic with larger grain size. However, the ZrO 2 –M g composite ceramic with a larger grain size could withstand higher displacement damage in the phase transformation under heavy ion irradiation. Therefore, the balance in managing He bubbles and phase stability should be considered in choosing suitable grain sizes.

Materials Science↗
DOE OSTI2020

Femtosecond X-ray Diffraction of Laser-shocked Forsterite (Mg 2 SiO 4 ) to 122 GPa

The response of forsterite, Mg 2 SiO 4 , under dynamic compression is of fundamental importance for understanding its phase transformations and high-pressure behavior. Here, we have carried out an in situ X-ray diffraction study of laser-shocked polycrystalline and single-crystal forsterite from 19 to 122 GPa using the Matter in Extreme Conditions end-station of the Linac Coherent Light Source. Under laser-based shock loading, forsterite does not transform to the high-pressure equilibrium assemblage of MgSiO 3 bridgmanite and MgO periclase, as has been suggested previously. Instead, we observe forsterite and forsterite III, a metastable polymorph of Mg 2 SiO 4 , coexisting in a mixed-phase region from 33 to 75 GPa for both polycrystalline and single-crystal samples. Densities inferred from X-ray diffraction are consistent with earlier gas-gun shock data. At higher stress, the response is sample-dependent. Polycrystalline samples undergo amorphization above 79 GPa. For [010]- and [001]-oriented crystals, a mixture of crystalline and amorphous material is observed to 108 GPa, whereas the [100]-oriented forsterite adopts an unknown phase at 122 GPa. The first two sharp diffraction peaks of amorphous Mg 2 SiO 4 show a similar trend with compression as those observed for MgSiO 3 in both recent static- and laser-driven shock experiments. This study provides new insight into the transformation of forsterite under nanosecond-duration shock loading. This work emphasizes the importance of formation of metastable phases along the Hugoniot and adds to evidence that the 300-K single-crystal diamond anvil cell experiments have relevance for understanding structures formed under shock compression. In particular, the metastable phase forsterite III has now been shown to form under dynamic compression from 10s to 100s of nanoseconds as well as under 300-K static compression. Upon compression to higher pressures, Mg 2 SiO 4 transforms to an amorphous phase. These results have broad relevance for understanding the behavior of silicates under dynamic compression.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase Transitions in (Mg,Fe) 2 SiO 4 Olivine under Shock Compression

The response of forsterite, Mg 2 SiO 4 , under dynamic compression is of fundamental importance for understanding its phase transformations and high-pressure behavior. Here, we have carried out an in situ X-ray diffraction study of laser-shocked polycrystalline and single-crystal forsterite from 19 to 122 GPa using the Matter in Extreme Conditions end-station of the Linac Coherent Light Source. Under laser-based shock loading, forsterite does not transform to the high-pressure equilibrium assemblage of MgSiO 3 bridgmanite and MgO periclase, as has been suggested previously. Instead, we observe forsterite and forsterite III, a metastable polymorph of Mg 2 SiO 4 , coexisting in a mixed-phase region from 33 to 75 GPa for both polycrystalline and single-crystal samples. Densities inferred from X-ray diffraction are consistent with earlier gas-gun shock data. At higher stress, the response is sample-dependent. Polycrystalline samples undergo amorphization above 79 GPa. For [010]- and [001]-oriented crystals, a mixture of crystalline and amorphous material is observed to 108 GPa, whereas the [100]-oriented forsterite adopts an unknown phase at 122 GPa. The first two sharp diffraction peaks of amorphous Mg 2 SiO 4 show a similar trend with compression as those observed for MgSiO 3 in both recent static- and laser-driven shock experiments. This study provides new insight into the transformation of forsterite under nanosecond-duration shock loading. This work emphasizes the importance of formation of metastable phases along the Hugoniot and adds to evidence that the 300-K single-crystal diamond anvil cell experiments have relevance for understanding structures formed under shock compression. In particular, the metastable phase forsterite III has now been shown to form under dynamic compression from 10s to 100s of nanoseconds as well as under 300-K static compression. Upon compression to higher pressures, Mg 2 SiO 4 transforms to an amorphous phase. These results have broad relevance for understanding the behavior of silicates under dynamic compression.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO 2 coatings through XANES analysis

Phase transformation via dopant introduction is an emerging strategy for tuning the electronic and catalytic properties of oxides. However, developing a general theory of ternary alloys and their microstructure evolution remains challenging due to the knowledge gaps in how point defects such as dopants lead to the formation of complex or metastable phases. We investigate the influence of Mn concentration and annealing temperature on the microstructure evolution of amorphous Mn-alloyed TiO 2 synthesized via Atomic Layer Deposition. In conclusion, our findings reveal a new crystallization pathway resulting in a direct amorphous TiO 2 to rutile transformation without an intermediate anatase phase and our multi-parameter thermal processing conditions show potential for AI-assisted data acquisition and analysis for studying complex oxide coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Melting and solidification dynamics during laser melting of reaction-based metal matrix composites uncovered by in-situ synchrotron X-ray diffraction

Laser additive manufacturing (AM) of reaction-based metal matrix composites (MMCs) involves highly complex and non-equilibrium material transformation behavior, including melting, dissolution, precipitation, and solidification. Yet, the dynamics and interplay of these phase transformation processes remain poorly understood, posing substantial challenges in identifying the microstructure formation mechanism, and predicting and controlling the microstructure in the printed parts. Here, in this study, we performed the in-situ X-ray diffraction experiment to characterize the phase evolution dynamics of the 316L + 10 vol.%TiC system during laser melting, which provides direct and quantitative insights of the complex phase reaction and evolution dynamics under rapid heating and cooling conditions relevant to additive manufacturing of reaction-based MMCs. Further in-depth thermodynamic and kinetic calculations revealed that most of the phase evolution behavior observed in the in-situ X-ray diffraction experiment cannot be solely explained by widely used equilibrium thermodynamic models, and diffusion-controlled nonequilibrium dissolution and precipitation kinetics must be considered to elucidate the complex phase evolution behavior, including incomplete TiC dissolution, and three-step TiC precipitation. The three distinct types of precipitates generate unique hierarchical TiC micro- and nanostructures, which enhances the yield strength from 513 MPa to 877 MPa by 71 %, tensile strength from 628 MPa to 1054 MPa by 68 %, and Young's modulus from 193 GPa to 221 GPa by 14 %. The findings of our research provide the knowledge foundation for the design of unique microstructures and advanced MMC materials through laser AM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineering transformation pathways in an Al 0.3 CoFeNi complex concentrated alloy leads to excellent strength–ductility combination

Guided by thermodynamic modeling, engineering phase transformation pathways via thermo-mechanical processing, in a complex concentrated alloy/high entropy alloy (HEA) of composition Al 0.3 CoFeNi, lead to a novel multi-scale microstructure consisting of fine-scale FCC + L1 2 grains mixed with B2 + BCC grains. The two-step pathway comprises initial decomposition of the parent single-phase FCC to form a fine-grained FCC + B2 microstructure, which further decomposes in the second step into the complex four-phase mixture, exhibiting an excellent combination of tensile yield stress of ~1490 MPa, ultimate tensile strength of ~1663 MPa, with a good ductility of ~12% at room temperature. This paper reports a novel multi-phase microstructure in a HEA/CCA similar to the microstructure observed in dual-phase stainless steel. This report exemplifies the novelty of HEA/CCA compositional space.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the structural stability of crystalline ceria phases in undoped and acceptor-doped ceria materials under in situ reduction conditions

The reduction of pure and Sm-doped ceria in hydrogen has been studied by synchrotron-based in situ X-ray diffraction to eventually prove or disprove the presence of crystalline cerium hydride (CeH x ) phases and the succession of potential structural phase (trans)formations of reduced cerium oxide phases during heating-cooling cycles up to 1273 K. Despite a recent report on the existence of bulk and surface CeH x phases during reductive treatment of pure CeO 2 in H 2 , structural analysis by Rietveld refinement as well as additional 1 H-NMR spectroscopy did not reveal the presence of any crystalline CeH x phase. Rather, a sequence of phase transformations during the re-cooling process in H 2 has been observed. In both samples, the reduced/defective fluorite lattice undergoes at first a transformation into a bixbyite-type lattice with a formal stoichiometry Ce 0.58 3+ Ce 0.42 4+ O 1.71 and Sm 0.15 3+ Ce 0.39 3+ Ce 0.46 4+ O 1.73 , before a transformation into rhombohedral Ce 7 O 12 takes place in pure CeO 2 . This phase is clearly absent for the Sm-doped material. Finally, a triclinic Ce 11 O 20 phase appears for both materials, which can be recovered to room temperature, and on which a phase mixture of bixbyite Ce 0.66 3+ Ce 0.34 4+ O 1.67 , rh-Ce 0.60 3+ Ce 0.40 4+ O 1.70 and tri-Ce 0.48 3+ Ce 0.52 4+ O 1.76 (for pure CeO 2 ) or bixbyite Sm 0.15 3+ Ce 0.47 3+ Ce 0.38 4+ O 1.69 and tri-Sm 0.15 3+ Ce 0.31 3+ Ce 0.54 4+ O 1.77 (for Sm-doped CeO 2 ) prevails. The absence of the rhombohedral phase indicates that Sm doping leads to the stabilization of the bixbyite phase over the rhombohedral one at this particular oxygen vacancy concentration. It is worth noting that recent work proves that hydrogen is indeed incorporated within the structures during the heat treatments, but under the chosen experimental conditions it has apparently no effect on the salient structural principles during reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2017

High-pressure phase transitions of α-quartz under nonhydrostatic dynamic conditions: A reconnaissance study at PETRA III

Hypervelocity collisions of solid bodies occur frequently in the solar system and affect rocks by shock waves and dynamic loading. A range of shock metamorphic effects and high-pressure polymorphs in rock-forming minerals are known from meteorites and terrestrial impact craters. In this paper, we investigate the formation of high-pressure polymorphs of α-quartz under dynamic and nonhydrostatic conditions and compare these disequilibrium states with those predicted by phase diagrams derived from static experiments under equilibrium conditions. We create highly dynamic conditions utilizing a mDAC and study the phase transformations in α-quartz in situ by synchrotron powder X-ray diffraction. Phase transitions of α-quartz are studied at pressures up to 66.1 and different loading rates. At compression rates between 0.14 and 1.96 GPa s -1 , experiments reveal that α-quartz is amorphized and partially converted to stishovite between 20.7 GPa and 28.0 GPa. Therefore, coesite is not formed as would be expected from equilibrium conditions. With the increasing compression rate, a slight increase in the transition pressure occurs. The experiments show that dynamic compression causes an instantaneous formation of structures consisting only of SiO 6 octahedra rather than the rearrangement of the SiO 4 tetrahedra to form a coesite. Although shock compression rates are orders of magnitude faster, a similar mechanism could operate in impact events.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Phase Retrieval for Radio Telescope and Antenna Control

Phase-retrieval is a general term used in optics to describe the estimation of optical imperfections or "aberrations." The purpose of this innovation is to develop the application of phase retrieval to radio telescope and antenna control in the millimeter wave band. Earlier techniques do not approximate the incoherent subtraction process as a coherent propagation. This approximation reduces the noise in the data and allows a straightforward application of conventional phase retrieval techniques for radio telescope and antenna control. The application of iterative-transform phase retrieval to radio telescope and antenna control is made by approximating the incoherent subtraction process as a coherent propagation. Thus, for systems utilizing both positive and negative polarity feeds, this approximation allows both surface and alignment errors to be assessed without the use of additional hardware or laser metrology. Knowledge of the antenna surface profile allows errors to be corrected at a given surface temperature and observing angle. In addition to imperfections of the antenna surface figure, the misalignment of multiple antennas operating in unison can reduce or degrade the signal-to-noise ratio of the received or broadcast signals. This technique also has application to the alignment of antenna array configurations.

Dean, Bruce↗
NASA NTRSDate not supplied

Colloids in Microgravity

Colloidal particles are important in a broad range of applications in technology and materials processing. Due to high sensitivity to thermal fluctuations, a suspension of colloidal particles is considered as an assembly of super-atoms in condensed matter physics. This feature provides an excellent experimental model in statistical mechanics for fundamental studies of microstructural evolution and phase transformation at the individual particle level. However, using colloids to probe three-dimensional phase transitions on Earth remains a challenge as they can be influenced by the gravity force causing the particles to sediment and the solvent to flow. To suppress the undesirable gravity effects, experiments on concentrated colloids were carried out in the International Space Station (ISS) Light Microscopy Module. We will present results of these experiments.

Colloids↗