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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO 2 and HfO 2

Structure and thermodynamics of pure cubic ZrO 2 and HfO 2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 degrees C) to their melting points (2710 and 2800 degrees C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 +/- 0.09% for ZrO 2 and 0.87 +/- 0.08% for HfO 2 ), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 +/- 7 kJ/mol for ZrO 2 and 61 +/- 10 kJ/mol for HfO 2 , compared with 54 +/- 2 and 52 +/- 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO 2 and HfO 2 are similar and reach (4 +/- 1).10 -5 /K from experiment and (5 +/- 1).10 -5 /K from computation. Finally, an agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO 2 and ZrO 2 , volume change on melting, and thermal expansion of the liquid to 3127 degrees C. Computed oxygen diffusion coefficients indicate that above 2400 degrees C pure ZrO 2 is an excellent oxygen conductor, perhaps even better than YSZ.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Spatially extended void-free dusty plasmas in a laboratory radio-frequency discharge

Laboratory experiments with thermophoretic levitation of dust are described that aim at the closure of a central dust-free void region. A careful study of the void structure as a function of the discharge and levitation parameters leads to the discovery of an extended parameter region where stable void-free equilibria are found. The void closure is effected by a novel mechanism that involves a self-organized change in the discharge topology, in which the dust cloud becomes surrounded by a toroidal region of plasma production. In this geometry ions are found to stream radially inwards instead of outwards as in clouds with a central void. This change in ion flow is proved by a reversal of the propagation direction of dust-density waves.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Formation of high-{beta} plasma and stable confinement of toroidal electron plasma in Ring Trap 1

Formation of high-{beta} electron cyclotron resonance heating plasma and stable confinement of pure electron plasma have been realized in the Ring Trap 1 device, a magnetospheric configuration generated by a levitated dipole field magnet. The effects of coil levitation resulted in drastic improvements of the confinement properties, and the maximum local {beta} value has exceeded 70%. Hot electrons are major component of electron populations, and its particle confinement time is 0.5 s. Plasma has a peaked density profile in strong field region [H. Saitoh et al., 23rd IAEA Fusion Energy Conference EXC/9-4Rb (2010)]. In pure electron plasma experiment, inward particle diffusion is realized, and electrons are stably trapped for more than 300 s. When the plasma is in turbulent state during beam injection, plasma flow has a shear, which activates the diocotron (Kelvin-Helmholtz) instability. The canonical angular momentum of the particle is not conserved in this phase, realizing the radial diffusion of charged particles across closed magnetic surfaces. [Z. Yoshida et al., Phys Rev. Lett. 104, 235004 (2010); H. Saitoh et al., Phys. Plasmas 17, 112111 (2010).].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Synergistic stabilization of metastable Fe{sub 23}B{sub 6} and γ-Fe in undercooled Fe{sub 83}B{sub 17}

Previous investigations of undercooled liquid Fe{sub 83}B{sub 17} near the eutectic composition have found that metastable crystalline phases, such as Fe{sub 23}B{sub 6}, can be formed and persist down to ambient temperature even for rather modest cooling rates. Using time-resolved high-energy x-ray diffraction on electrostatically levitated samples of Fe{sub 83}B{sub 17}, we demonstrate that the Fe{sub 23}B{sub 6} metastable phase and fcc γ-Fe grow coherently from the undercooled Fe{sub 83}B{sub 17} liquid and effectively suppress the formation of the equilibrium Fe{sub 2}B + bcc α-Fe phases. The stabilization of γ-Fe offers another opportunity for experimental investigations of magnetism in metastable fcc iron.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural crossover in a supercooled metallic liquid and the link to a liquid-to-liquid phase transition

Time-resolved synchrotron measurements were carried out to capture the structure evolution of an electrostatically levitated metallic-glass-forming liquid during free cooling. The experimental data shows a crossover in the liquid structure at ~1000 K, about 115 K below the melting temperature and 150 K above the crystallization temperature. The structure change is characterized by a dramatic growth in the extended-range order below the crossover temperature. Molecular dynamics simulations have identified that the growth of the extended-range order was due to an increased correlation between solute atoms. These results provide structural evidence for a liquid-to-liquid-phase-transition in the supercooled metallic liquid.

Glass transitions↗
DOE OSTI2023

Shivalik Plasma Device-I, a glow discharge device to study the collective dynamics of dusty plasma

Using a uniquely configured glow discharge-based Shivalik Plasma Device-I, we demonstrate a variety of collective phenomena in dusty plasma away from the glow discharge region. The cylindrical glass device produces plasma using parallel disc-shaped electrodes with a smaller anode size than the cathode. The dust microparticles are initially sprinkled over the grounded cathode. These particles acquire a significant negative charge upon plasma formation, resulting in their levitation due to the balance between the Coulomb force and gravity. The new device supports the levitation of a big-sized (10 × 8 × 5 cm 3 ) three-dimensional dust cloud over the glass surface. It contrasts the dusty plasma formations in-between electrodes reported earlier. As the discharge voltage varies from high to low, the dust cloud travels from over the glass surface to between the electrodes. A complex interplay of dust void over the cathode, a sharp density gradient, and gravity lead to self-excitation of collective dust phenomena. It includes dust density waves (phase velocity, v ph ~4 cm/s), dust cloud oscillation (frequency, f = 5 Hz), sheared flow (flow velocity, v f ~ 1 cm/s), and multiple-sized dust vortices. These dust vortices provided an excellent platform for studying turbulent mixing phenomena. The power spectrum analysis agreed with two-dimensional Kolmogorov power-law scaling. This is an ideal dusty plasma apparatus where we can create or move the dust cloud to a location of choice from the glass surface to in-between the electrodes and excite one among many collective dust dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Structure–property relations of binary ferrite melts

Molten ferrite systems are used in the smelting and refining processes in steelmaking, to reduce the loss of metals in slags and to accelerate reaction rates. Here, high-energy x-ray diffraction experiments have been performed on aerodynamically levitated molten spheres of 43BaO–57FeO X and 43SrO–57FeO X at 1873 K using laser beam heating. The composition was varied within the range of x = 1–1.5 by changing the oxygen partial pressure of the levitation gas. The corresponding x-ray pair distribution functions have been interpreted using empirical potential structure refinement (EPSR) modeling. In oxygen-rich melts (x = 1.5), our EPSR models indicate very similar structures for the different alkaline-earth liquids, with both the Ba–O and Sr–O coordination numbers to be ∼8.4 and the total Fe–O coordination numbers ∼5.7. However, our models show that in reducing environments, the Fe 3+ and Fe 2+ ions exhibit very different behaviors in the Ba- and Sr-ferrite liquids. In the Ba-ferrite melt, the Fe 3+ –O coordination number decreases from 5.7 (at x = 1.5) to 5.2 (at x = 1.07), whereas Fe 2+ –O remains constant at ∼5.0 across the same compositional range. In the Sr melts, both the Fe 2+ –O and Fe 3+ –O coordination numbers rise from ∼5.7 (at x = 1.5) to 6.3 (at x = 1.07). All models show the structures to be heterogeneous with intertwined nanometer sized clusters or channels of Ba/Sr–O and Fe–O polyhedra that grow as oxygen content is reduced. Changes in the viscosity and electrical properties are interpreted in terms of the number of bridging and non-bridging oxygens associated with FeO 4 tetrahedra and concentration of charge carriers, respectively.

Benmore, Chris J. [Argonne National Laboratory (AN↗
DOE OSTI2025

Structure of molten ytterbium aluminum garnet

Rare earth aluminum garnets are important materials in optical, dielectric, and thermal barrier applications. To advance the understanding of their melt processing and glass forming ability, we report the atomic structure of molten Yb 3 Al 5 O 12 over 1770–2630 K, which spans the equilibrium and supercooled liquid regimes. The melt density at T m = 2283 K is 5.50 g cm –3 , measured via silhouette imaging of electrostatically levitated drops over 1010–2420 K. Four separate structure measurements were made with aerodynamically levitated melts using x-ray and neutron diffraction with isotope substitution of Yb ( 172 Yb, 174 Yb, or nat Yb). Empirical potential structure refinement models were developed, which are in excellent agreement with the experiments. Coordination environments for Al–O are predominantly 4- and 5-coordinate, with a mean coordination of n AlO = 4.43(8), while Yb–O environments mostly range from 5- to 8-coordinate, with n YbO = 6.26(8). The cation–oxygen polyhedra are connected primarily by corner-sharing, with edge-sharing constituting up to ~1/3 of the connectivity among polyhedra with Yb or higher-coordinated Al–O. Structurally, the –Al–O– network in molten Yb 3 Al 5 O 12 appears conducive to glass formation: n OAl = 1.85(3), there are 1.86 AlO x –AlO x connections per Al atom (e.g., a mixture of Q 3 and Q 4 units), and the modal ring size is six cations. These characterize a network that is somewhat less constrained compared to SiO 2 glass, yet Yb 3 Al 5 O 12 cannot be quenched into crystal-free glass. Here, aluminum garnet compositions with larger rare earth cations do form glass, so these characterizations help reveal the structural characteristics corresponding to the limit of glass forming ability in rare earth aluminates.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design and Analysis of Embedded I&C for a Fully Submerged Magnetically Suspended Impeller Pump

Improving nuclear reactor power system designs and fuel-processing technologies for safer and more efficient operation requires the development of new component designs. In particular, many of the advanced reactor designs such as the molten salt reactors and high-temperature gas-cooled reactors have operating environments beyond the capability of most currently available commercial components. To address this gap, new cross-cutting technologies need to be developed that will enable design, fabrication, and reliable operation of new classes of reactor components. The Advanced Sensor Initiative of the Nuclear Energy Enabling Technologies initiative is investigating advanced sensor and control designs that are capable of operating in these extreme environments. Under this initiative, Oak Ridge National Laboratory (ORNL) has been developing embedded instrumentation and control (I&C) for extreme environments. To develop, test, and validate these new sensing and control techniques, ORNL is building a pump test bed that utilizes submerged magnetic bearings to levitate the shaft. The eventual goal is to apply these techniques to a high-temperature (700°C) canned rotor pump that utilizes active magnetic bearings to eliminate the need for mechanical bearings and seals. The technologies will benefit the Next Generation Power Plant, Advanced Reactor Concepts, and Small Modular Reactor programs. In this paper, we will detail the design and analysis of the embedded I&C test bed with submerged magnetic bearings, focusing on the interplay between the different major systems. Then we will analyze the forces on the shaft and their role in the magnetic bearing design. Next, we will develop the radial and thrust bearing geometries needed to meet the operational requirements of the test bed. In conclusion, we will present some initial system identification results to validate the theoretical models of the test bed dynamics.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Phase transformations in oxides above 2000°C: experimental technique development

Here, the oxidation of boride and carbide-based ultra-high-temperature ceramics is the primary limiting factor for their use as aerodynamic surfaces. Understanding the behaviour of the oxides that can result from oxidation of metal borides and carbides at very high temperatures is essential to optimise and tailor the performance of these materials; yet experimental thermodynamic and structural data for refractory oxides above 2000°C are mostly absent. The following techniques that can be applied to fill this gap are discussed: (i) commercial ultra-high-temperature differential thermal analysis for investigation of phase transformations and melting in inert environments to 2500°C, (ii) a combination of laser heating with a splittable nozzle aerodynamic levitator for splat quenching and drop calorimetry from temperatures limited only by sample evaporation, (iii) synchrotron X-ray and neutron diffraction on laser-heated aerodynamically levitated oxide samples for in situ observation of phase transformations in variable atmospheres, refinement of high-temperature structures and thermal expansion. Recent experimental findings include anomalous thermal expansion of the defect fluorite phase of YSZ, thermodynamics of pyrochlore–fluorite transformation from high-temperature structure refinements, and measurement of thermal expansion to the melting temperatures and fusion enthalpies of Zr, Hf, La, Yb and Lu oxides. These methods provide temperatures, enthalpies and volume change for phase transformations above 2000°C, which are required for thermodynamic assessments and calculation of phase diagrams of multicomponent systems.

36 MATERIALS SCIENCE↗
DOE OSTI2013

FLAMES AND XSHOOTER SPECTROSCOPY ALONG THE TWO BLUE STRAGGLER STAR SEQUENCES OF M30

We present spectroscopic observations acquired with FLAMES and XSHOOTER at the Very Large Telescope for a sample of 15 blue straggler stars (BSSs) in the globular cluster (GC) M30. The targets have been selected to sample the two BSS sequences discovered, with seven BSSs along the blue sequence and eight along the red one. No difference in the kinematical properties of the two groups of BSSs has been found. In particular, almost all the observed BSSs have projected rotational velocities lower than {approx}30 km s{sup -1}, with only one (blue) fast rotating BSS (>90 km s{sup -1}), identified as a W UMa binary. This rotational velocity distribution is similar to those obtained in 47 Tucanae and NGC 6397, while M4 remains the only GC studied so far that harbors a large fraction of fast rotating BSSs. All stars hotter than {approx}7800 K (regardless of the parent BSS sequence) show iron abundances larger than those measured from normal cluster stars, with a clear-cut trend with the effective temperature. This behavior suggests that particle transport mechanisms driven by radiative levitation occur in the photosphere of these stars, as already observed for the BSSs in NGC 6397. Finally, four BSSs belonging to the red sequence (not affected by radiative levitation) show a strong depletion of [O/Fe], with respect to the abundance measured in red giant branch and horizontal branch stars. This O-depletion is compatible with the chemical signature expected in BSSs formed by mass-transfer processes in binary systems, in agreement with the mechanism proposed for the formation of BSSs in the red sequence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Site‐selective fluorescence and spectroscopic properties of Yb‐doped lanthanum titanate glasses

Abstract Ytterbium‐doped lanthanum titanate glasses were prepared by levitation melting for the detailed characterization of the spectroscopic properties in the rare‐earth titanate glass host. Low‐temperature fluorescence spectroscopy reveals distinct site‐selectivity in both static and lifetime fluorescence measurements suggesting an absence of clustering as well as significant variation of local ytterbium environments. Typical site‐selectivity behavior of a shrinking Stark manifold with lower excitation energy is observed. At 77 K, both the mean emission frequency and the fluorescence lifetime initially increase as the excitation energy decreases from about 11100 to 10750 and then slightly decrease at lower excitation energy. Temperature‐dependent lifetime measurements between 77 and 420 K show a decreasing lifetime with increasing temperature and are well described by a two‐level thermal activation model. The temperature‐dependent fluorescence spectroscopy coupled with a room temperature white light absorption measurement allow the determination of the Stark energy levels of in lanthanum titanate glass as well as the calculation of the laser cross‐sections.

Materials Science↗
DOE OSTI2025

Melting point of group IV and V transition metal diborides

The environmental conical nozzle levitator system enables cooling trace experiments above 4000 K. These cooling trace experiments were used to determine the melting points through observation of thermal arrest of group IV and V transition metal diborides (TiB 2 , T m = 3313 ± 33 K; ZrB 2 , T m = 3404 ± 38 K; HfB 2 , T m = 3529 ± 33 K; and TaB 2 , T m = 3284 ± 10 K; note: mean ± 2 standard error). Temperature measurements were conducted utilizing dual single-color pyrometers at wavelengths of 0.9 and 0.65 µm. This system utilizes aerodynamic levitation and dual laser heating to achieve temperatures approaching 4000 K. The samples were synthesized from commercial powders using ceramic gel-casting to produce high-density spherical components. The measurements obtained were compared to previously reported melting temperature values and were generally found to be in agreement with most of the published values.

Materials science↗
DOE OSTI2026

Dynamics and Structure of Molten Neodymium Titanate

Binary rare earth titanates can be vitrified using levitation melt quenching, and their glasses are promising for optical applications. To better understand their thermophysical properties and dynamics, we have used molecular dynamics (MD) and empirical potential structure refinement (EPSR) to simulate molten neodymium titanate, 83TiO 2 –17Nd 2 O 3 . The models are compared with high-energy synchrotron X-ray diffraction of the melt structure over 1060–1960 K and thermophysical property measurements of electrostatically levitated droplets over 1500–2200 K. As temperature increases, the network periodicity increases and the correlation length decreases, both in monotonic trends that suggest continuous structural evolution through the melt and supercooled liquid regimes. At 1900 K, the mean Ti–O and Nd–O coordination numbers are 5.8(5) and 6.7(5), compared to the glass, 5.72(6) and 7.70(26). The equilibrium melting point is measured as 1860(20) K, over 100 K higher than previous estimates. Viscosity data from MD are in good agreement with experimental measurements. The dynamic propensity of Nd is similar to that of the network-forming Ti, suggesting that Nd does not participate as a conventional modifier. The viscosity of this fragile liquid is likely controlled by the breaking of cation–oxygen bonds and rearrangements of Ti–O polyhedra.

molecular dynamics↗
DOE OSTI2016

Manipulation of Samples at Extreme Temperatures for Fast in-situ Synchrotron Measurements

An aerodynamic sample levitation system with laser beam heating was integrated with the APS beamlines 6 ID-D, 11 ID-C and 20 BM-B. The new capability enables in-situ measurements of structure and XANES at extreme temperatures (300-3500 °C) and in conditions that completely avoid contact with container surfaces. In addition to maintaining a high degree of sample purity, the use of aerodynamic levitation enables deep supercooling and greatly enhanced glass formation from a wide variety of melts and liquids. Development and integration of controlled extreme sample environments and new measurement techniques is an important aspect of beamline operations and user support. Processing and solidifying liquids is a critical value-adding step in manufacturing semiconductors, optical materials, metals and in the operation of many energy conversion devices. Understanding structural evolution is of fundamental importance in condensed materials, geology, and biology. The new capability provides unique possibilities for materials research and helps to develop and maintain a competitive materials manufacturing and energy utilization industry. Test samples were used to demonstrate key features of the capability including experiments on hot crystalline materials, liquids at temperatures from about 500 to 3500 °C. The use of controlled atmospheres using redox gas mixtures enabled in-situ changes in the oxidation states of cations in melts. Significant innovations in this work were: (i) Use of redox gas mixtures to adjust the oxidation state of cations in-situ (ii) Operation with a fully enclosed system suitable for work with nuclear fuel materials (iii) Making high quality high energy in-situ x-ray diffraction measurements (iv) Making high quality in-situ XANES measurements (v) Publishing high impact results (vi) Developing independent funding for the research on nuclear materials This SBIR project work led to a commercial instrument product for the niche market of processing and studying materials in extreme conditions. MDI registered the trademark “Instruments for Innovation®” and sells products under this trademark. SBIR is the ideal vehicle for funding developments such as this since the total market size is relatively small meaning that venture investments to develop products cannot typically be obtained. The sale of niche market instruments for work in extreme conditions has been several million dollars over the last decade. The work to develop and build and sell this instrument has created stable high paying jobs in the technology manufacturing sector. Outreach enabled by this research helped with PhD thesis research, supported three undergraduate interns and one local high school student. In addition, several scientific articles were published, papers were presented at international conferences, and a workshop was held.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Manufacturing and Characterization of Ultra Pure Ferrous Alloys Final Report CRADA No. TC02069.0

This CRADA was a.collaborative effort between the Lawrence Livermore National Security LLC (formerly University of California)/Lawrence Livermore National Laboratory (LLNL),and Caterpillar Inc. (CaterpiHar), to further advance levitation casting techniques (developed at the Central Research Institute for Material (CRIM) in St. Petersburg, Russia) for use in manufacturing high purity metal alloys. This DOE Global Initiatives for Proliferation Prevention Program (IPP) project was to develop and demonstrate the levitation casting technology for producing ultra-pure alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

SQMS Quantum R&D in Machine Learning, Optimization and Sensing beyond Fundamental Physics Applications

This newly formed team at SQMS under the Ecosystem Thrust is looking to develop capabilities impacting societal advances outside the core domain of HEP and condensed matter physics. We explicitly leverage the experimental and algorithmic innovations developed across all groups as well as connect to broad-scope external projects of the diverse team of PIs. As the inaugural set of projects, we are studying numerically quantum machine learning models inspired by efficiently trainable echo-state and orthogonal neural networks and developing designs for related experiments to be performed on quantum processors based on SQMS SRF cQED technology and Rigetti s transmon arrays. Investigated models exploit ideas and lessons learned from multiple prior work by SQMS team members in a variety of internal and external activities [R1]. Target initial applications include noisy signal processing, potentially captured by quantum sensors or noisy QPUs, as well as simulation and classification of healthcare data. For instance, image reconstruction of the brain s electrical properties by solving the inverse Maxwell equation problem with uncertainty [R2] through a hybrid quantum-classical physics-informed architecture for time-dependent processes [R3]. The group is also investigating the application and development of novel quantum sensors based on magnetic levitation of a superconducting sphere coupled to a superconducting qubit. This coupling enables high-precision measurements of the position of the sphere, which can be used for sensitive detection of forces, enabling practical applications such as gravimetry for geophysics analysis, or accelerometry for GPS-denied navigation [R4] [R1] Rieffel, Eleanor G., Ata Akbari Asanjan, M. Sohaib Alam, Namit Anand, David E. Bernal Neira, Sophie Block, Lucas T. Brady et al. "Assessing and advancing the potential of quantum computing: A NASA case study." Future Generation Computer Systems (2024). [R2] Yu, X., Serrall s, J.E., Giannakopoulos, I.I., Liu, Z., Daniel, L., Lattanzi, R. and Zhang, Z., 2023. Pifon-ept: Mr-based electrical property tomography using physics-informed fourier networks. IEEE Journal on Multiscale and Multiphysics Computational Techniques. [R3] Wudarski, Filip, Daniel OConnor, Shaun Geaney, Ata Akbari Asanjan, Max Wilson, Elena Strbac, P. Aaron Lott, and Davide Venturelli. "Hybrid quantum-classical reservoir computing for simulating chaotic systems." arXiv preprint arXiv:2311.14105 (2023). [R4] Higgins, Gerard, Saarik Kalia, and Zhen Liu. "Maglev for dark matter: Dark-photon and axion dark matter sensing with levitated superconductors." Physical Review D 109.5 (2024): 055024.

Venturelli, Davide↗