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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 199 records · Page 11

Millisecond Phase Transition Kinetics of Lyotropic Liquid Crystalline Nanoparticles Observed by Time‐Resolved Small Angle X‐ray Solution Scattering

This study investigates the dynamic behavior of lyotropic liquid crystal nanoparticles (LCNPs), which are widely recognized for their applications in drug delivery. By employing nanosecond near‐infrared laser pulse‐induced temperature jump (T‐jump) and time‐resolved X‐ray solution scattering, the structural dynamics of phase transitions in phytantriol‐based cubosomes and hexosomes are revealed. Both cubosome and hexosome LCNPs undergo phase transitions into noncrystalline phases at high temperatures. Their phase transition kinetics, occurring within milliseconds (ms) and involving one intermediate structure, are captured. Additionally, the reverse self‐assembly processes of LCNPs were observed, occurring on the timescale of a few hundred ms. To our knowledge, this is the first observation of LCNP T‐jump induced phase transitions on the ms timescale and their reverse self‐assembly. These findings provide valuable insights into the LCNP phase transition processes, with potential implications for drug delivery applications.

Chemistry↗

Low Temperature Dynamic Polaron Liquid in a Manganite Exhibiting Colossal Magnetoresistance

Polarons - fermionic charge carriers bearing a strong companion lattice deformation - exhibit a natural tendency for self-localization due to the recursive interaction between electrons and the lattice. While polarons are ubiquitous in insulators, how they evolve in transitions to metallic and superconducting states in quantum materials remains an open question. Here, we use resonant inelastic x-ray scattering to track the electron-lattice coupling in the colossal magneto-resistive bi-layer manganite La 1.2 Sr 1.8 Mn 2 O 7 across its metal-to-insulator transition. The response in the insulating high-temperature state features harmonic emissions of a dispersionless oxygen phonon at small energy transfer. Additionally, upon cooling into the metallic state, we observe a drastic redistribution of spectral weight from the region of these harmonic emissions to a broad high energy continuum. In concert with theoretical calculations, we show that this evolution implies a shift in electron-lattice coupling from static to dynamic lattice distortions that leads to a distinct polaronic ground state in the low temperature metallic phase - a dynamic polaron liquid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermal and dynamical regimes of single- and two-phase magmatic flow in dikes

The coupling between thermal and dynamical regimes of single- and two-phase magmatic flow in dikes, due to temperature-dependent viscosity and dissipation, was investigated using finite element calculations of magma flow in dikelike channels with length-to-width ratios of 1000:1 or more. Solutions of the steady state equations governing magma flow are obtained for a variety of conditions ranging from idealized plane-parallel models to cases involving nonparallel geometry and two-phase flows. The implications of the numerical simulations for the dynamics of flow in a dike-reservoir system and the consequences of dike entrance conditions on magmatic storage are discussed. Consideration is also given to an unmixing/self-lubrication mechanism which may be important for the lubrication of silicic magmas rising to the earth's surface in mixed magma ascent scenarios, which naturally segregates magma mixtures of two components with differing viscosities to minimize the driving pressure gradient.

Carrigan, Charles R.↗

Singularity perturbed zero dynamics of nonlinear systems

Stability properties of zero dynamics are among the crucial input-output properties of both linear and nonlinear systems. Unstable, or 'nonminimum phase', zero dynamics are a major obstacle to input-output linearization and high-gain designs. An analysis of the effects of regular perturbations in system equations on zero dynamics shows that whenever a perturbation decreases the system's relative degree, it manifests itself as a singular perturbation of zero dynamics. Conditions are given under which the zero dynamics evolve in two timescales characteristic of a standard singular perturbation form that allows a separate analysis of slow and fast parts of the zero dynamics.

Isidori, A.↗

Numerical Modeling of Three-Dimensional Fluid Flow with Phase Change

We present a numerical method to compute phase change dynamics of three-dimensional deformable bubbles. The full Navier-Stokes and energy equations are solved for both phases by a front tracking/finite difference technique. The fluid boundary is explicitly tracked by discrete points that are connected by triangular elements to form a front that is used to keep the stratification of material properties sharp and to calculate the interfacial source terms. Two simulations are presented to show robustness of the method in handling complex phase boundaries. In the first case, growth of a vapor bubble in zero gravity is studied where large volume increase of the bubble is managed by adaptively increasing the front resolution. In the second case, growth of a bubble under high gravity is studied where indentation at the rear of the bubble results in a region of large curvature which challenges the front tracking in three dimensions.

Esmaeeli, Asghar↗

LDRD conclusion poster - Synthesizing Heterometallic Uranium Single Crystals to Understand the Influence of the Secondary Metals on Uranyl Axial Bond Strength

Understanding how transition metals influenced the chemistry of lanthanide and actinide (f-element) materials is critical for advancing separation technologies, materials design, and coordination chemistry. This project examined how incorporating first-row transition metals affected the structural and spectroscopic properties of f-element coordination polymers. In uranium(VI)-based systems synthesized with 2,6-pyridinedicarboxylic acid (PDC) ligands, single-crystal X-ray diffraction and Raman spectroscopy revealed that the presence of transition metals shortened the uranyl axial bond and induced a blue shift in its symmetric stretching vibration—evidence of increased bond strength. Electronic structure analysis, including Density of States (DOS) calculations using density functional theory (DFT), revealed altered orbital overlaps and highlighted the role of transition metal d-orbitals in modulating bonding. Raman modes were modeled using truncated structural fragments in collaboration with the University of Notre Dame, and although the predicted frequencies were lower than experimental values, they remained within expected ranges. In parallel, similar experiments with cerium (Ce) in the presence of cobalt (Co) and PDC demonstrated multi-step single-crystal-to-single-crystal transformations—behavior not observed in the uranium systems. Initial products included light yellow, orange, and polycrystalline materials. Single-crystal X-ray diffraction studies, conducted in collaboration with the Colorado School of Mines, identified the yellow phase as monometallic Ce(PDC)2(H2O)2·4H2O and the orange phase as heterometallic Ce2Co(PDC)4(H2O)6. After standing in solution for one week, both phases fully transformed into a dark yellow crystalline phase, [Ce3(PDC)5(H2O)8].6(H2O). Remarkably, this transformation was reversible—disturbing the equilibrium by removing some crystals caused reversion to the initial Ce(PDC)2(H2O)2·4H2O phase, highlighting dynamic behavior. All three structures were previously unreported. Solid-state UV-visible and Raman spectroscopy further distinguished these phases, revealing ligand-to-metal charge transfer involving Ce and characteristic d–d transitions from Co(II). The precise mechanism driving these transformations remained unclear; however, pH-dependent experiments confirmed that the transformation did not occur when the pH decreased. Overall, the project demonstrated that transition metals could be employed to tune bonding interactions, structural dimensionality, and optical properties in f-element materials, establishing new pathways for designing functional heterometallic systems. The work resulted in several novel structural discoveries and fostered productive collaborations with the University of Notre Dame and the Colorado School of Mines.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Simulations of Stochastic Fluid Dynamics near a Critical Point in the Phase Diagram

Here, we present simulations of stochastic fluid dynamics in the vicinity of a critical endpoint belonging to the universality class of the Ising model. This study is motivated by the challenge of modeling the dynamics of critical fluctuations near a conjectured critical endpoint in the phase diagram of quantum chromodynamics (QCD). We focus on the interaction of shear modes with a conserved scalar density, which is known as model H. We show that the observed dynamical scaling behavior depends on the correlation length and the shear viscosity of the fluid. As the correlation length is increased or the viscosity is decreased we observe a crossover from the dynamical exponent of critical diffusion, z≃4, to the expected scaling exponent of model H, z≃3. We use our method to investigate the time-dependent correlation function of non-Gaussian moments M n (t) of the order parameter. We find that the relaxation time depends in a nontrivial manner on the power n.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling the Effects of Liquid-to-Gas Density Ratio on Slosh Dynamics

Mechanical models are commonly used in Guidance, Navigation and Controls (GN&C) system-level models to represent propellant slosh forces on launch vehicles and spacecraft. The slosh model parameters are typically predicted using semi-empirical analytical methods that are based on experimental data for high liquid-to-gas density ratios (such as water and air at standard sea level conditions). Model parameter calculations typically neglect any contribution to slosh dynamics from the gas phase. However, some cryogenic propellant systems operate in conditions where the density ratio can be orders of magnitude smaller. Analytical and computational modeling was used in this effort to investigate the effects of liquid-to-gas density ratio on slosh dynamics. No experimental data nor previous studies are available at this time that quantify the effect of liquid-to-gas density ratio on slosh dynamics. However, in a recent CFD study, results showed that density ratio can have a significant effect on slosh model parameters. In this study, a dual pendulum slosh model was created that distinctly represents both liquid and gas phase dynamics. Solution of the model, which invokes the Euler-Lagrange equations of motion, demonstrates that slosh frequency is a combination of liquid slosh frequency and gas phase slosh frequency. Additionally, it shows that slosh mass is reduced due to the opposing motion of the gas phase with respect to that of the liquid phase. The slosh model parameter trends were verified using Computational Fluid Dynamics (CFD) analysis results for various liquid-to-gas density ratios, tanks, and fill levels.

Christopher D Moore↗

The Coronae of Moderate-Mass Giants in the Hertzsprung Gap and the Clump

We have used the Roentgensatellit (ROSAT), the Extreme Ultraviolet Explorer (EUVE), and the Hubble Space Telescope (HST) to measure X-ray and ultraviolet emissions of moderate-mass (APPROX. 2-3 solar mass) giants in the Hertzsprung gap (spectral types early F to mid-G) and the post-helium flash "clump" (approx. G8-K0). Our motivation was to document the evolution of hot coronae (T greater than 10(exp 6)K) along the post-main-sequence trajectories traveled by such stars in order to gain insight concerning the "X-ray deficiency" of the F-GO giants and the strong braking of stellar rotation at the red edge of the Hertzsprung gap. With few exceptions, Hertzsprung gap and clump giants observed by ROSAT PSPC show hot (T approx. 10(exp 7)K) coronal energy distributions, regardless of any X-ray deficiency, EUVE spectra of gap star 31 Com (G0 111) indicate a broad coronal emission measure hump at approx. 10(exp 7.2)K, while the active clump giant beta Ceti (K0 III) displays a sharp peak at approx. 10(exp 6.8)K, as seen previously in the mixed clump/gap binary Capella (alpha Aur: G8 III + G0 III). The gap giants upsilon Peg (F8 III) and 24 UMa (G4 III) have EUV emissions of intermediate temperature (approx. 10(exp 7.0)K). The stars 31 Com, psi(sup 3) Psc (G0 III), and beta Cet exhibit redshifted transition zone (TZ: approx. 10(exp 5)K) lines in HST GHRS spectra, as reported earlier in Procyon (alpha CMi: F5 IV-V) and Capella G0. Such redshifts on the Sun are thought to signify flows in magnetic loops. beta Cas (F2 III)-a rare soft coronal source among the gap stars-displays blueshifts of C iv and 0 iv], although emissions at cooler and hotter temperatures are near the photospheric velocity. The remarkably broad line profiles of the fastest rotating gap giants suggest that the 10(exp 5) K "subcoronal " emission zones extend to h approx. R(sub *) above the photosphere, about 50 scale heights. In contrast to the TZ line redshifts, the upper chromospheric emissions (e.g., Mg II and Si III) of 31 Com and upsilon(sup 3) Psc have blueshifted cores. Blue-asymmetric peaks in the solar Mg a lines are thought to indicate dynamical heating in the chromosphere. Observations of the H(sub I) Ly(alpha) feature of 31 Com taken 9 months apart reveal striking profile changes, reminiscent of those noted previously in the Ly(alpha) blue peak of the Capella G0 star. We used the far-ultraviolet diagnostics, in combination with ROSAT X-ray photometry and EUVE high-excitation line strengths, to constrain physical models of the stellar outer atmospheres. Quasi-static magnetic loops can simulate the empirical coronal emission measures of the giant stars, but the inferred pressures for sensible loop lengths conflict with direct measurements of subcoronal densities. Furthermore, the high rate of emission at approx. 10(exp 5) K cannot be explained by thermal conduction down the legs of hot quasi-static loops. On the other hand, the possible existence of elongated (l - R(sub *) emission structures on the gap giants leads to a speculative scenario to explain the X-ray deficiency. It is based on the increased importance of the dynamical filling phase ("explosive evaporation") of the loop life cycle; conductive cooling, yielding TZ emissions at the footpoints, when the heating is interrupted; and the possibility for transitions between " hot " and " cool " energy balance solutions owing to dynamical suspension and centrifugal trapping of the cooling gas. The long loops might represent a vestigial global " magnetosphere " inherited from the main-sequence phase, which ultimately is disrupted near approx. G0 by the deepening convective envelope and growth of a more solar-like dynamo. Coronal emissions might be boosted temporarily as the X-ray deficiency is removed but soon would be quenched by wind braking previously inhibited by the magnetospheric "dead zone."

Ayres, Thomas R.↗

Luminous blue variables at quiescence: The zone of avoidance in the Hertzsprung-Russell diagram

Two phases of dynamical instability are theoretically predicted to exist during the evolution of supergiants of normal metallicity that are initially more massive than approximately 60 solar mass. One phase occurs briefly in the yellow or red region of the Hertzsprung-Russell diagram for stars in the early stages of core helium burning, and the other phase occurs for a longer time in the blue or blue-white region for stars exhausting their core helium. Probably only the second phase exists in the case of supergiants with initial masses between approximately 60 solar mass and approximately 30 solar mass or with low metallicities The cause of instability is the partial ionization of hydrogen and helium in a quasi-isolated outer region of the stellar envelope, above the layer where the iron opacity attains a large local maximum. Predicted luminosities, effective temperatures, ejected nebular masses, remnant masses, eruption recurrence times, and lifetimes, though very approximate, are generally consistent with available observational data for the important class of unstable supergiants known as luminous blue variables.

Stothers, Richard B.↗

Periodic and chaotic spatiotemporal states in a phase-conjugate resonator using a photorefractive BaTiO3 phase-conjugate mirror

The dynamics of an externally pumped phase-conjugate resonator that uses four-wave mixing in BaTi03 is investigated experimentally. The emergence of spatiotemporal instabilities as the degree of transverse confinement is varied by changing the Fresnel number is described in detail. Local intensity time series show that relaxing the transverse confinement leads the system from a stationary state to periodic, then to quasi-periodic, motions and finally to chaotic behavior. In some regions of parameter space two frequencies are identified in the power spectra of the time series, indicating a route to chaos following the Ruelle-Takens-Newhouse scheme. Wave-front topological defects are identified by interferometry. As the system's confinement is varied, the phase-defect density and the spatial correlation index are found to follow similar trends, indicating that the observed spatiotemporal dynamics may indeed be an example of defect-mediated turbulence.

Liu, Siuying R.↗

Analytical investigation of the dynamics of tethered constellations in Earth orbit, phase 2

The following topics related to the dynamics of the 4-mass tethered system are addressed: (1) the development of damping algorithms for damping the out-of-plane libration of the system and the interaction of the out-of-plane control with the other degrees of freedom; and (2) the development of environmental models to be added to the dynamics simulation computer code. The environmental models are specifically a new drag routine based on the Jacchia's 1977 model, a J(2) model and an accurate thermal model of the wire. Regarding topic (1) a survey of various out-of-plane libration control laws was carried out. Consequently a yo-yo control law with amplitude of the tether length variation proportional to the amplitude of the out-of-game libration has been selected. This control law provides good damping when applied to a (theoretical) two-dimensional system. In the actual 3-dimensional 4-mass tethered system, however, energy is transferred to the least damped degrees of freedom (the out-of-plane lateral deflections are still undamped in the present simulations) in such a way as to decrease the effectiveness of the algorithm for out-of-plane libration control. The addition of damping algorithms for the out-of-plane lateral deflections is therefore necessary.

Lorenzini, E. C.↗

Fluctuation driven electroweak phase transition

We examine the dynamics of the electroweak phase transition in the early Universe. For Higgs masses in the range 46 less than or = M sub H less than or = 150 GeV and top quark masses less than 200 GeV, regions of symmetric and asymmetric vacuum coexist to below the critical temperature, with thermal equilibrium between the two phases maintained by fluctuations of both phases. We propose that the transition to the asymmetric vacuum is completed by percolation of these subcritical fluctuations. Our results are relevant to scenarios of baryogenesis that invoke a weakly first-order phase transition at the electroweak scale.

Gleiser, Marcelo↗

Fluctuation-driven electroweak phase transition

We examine the dynamics of the electroweak phase transition in the early Universe. For Higgs masses in the range 46 less than or = M sub H less than or = 150 GeV and top quark masses less than 200 GeV, regions of symmetric and asymmetric vacuum coexist to below the critical temperature, with thermal equilibrium between the two phases maintained by fluctuations of both phases. We propose that the transition to the asymmetric vacuum is completed by percolation of these subcritical fluctuations. Our results are relevant to scenarios of baryogenesis that invoke a weakly first-order phase transition at the electroweak scale.

Gleiser, Marcelo↗

Dynamic Competition between Hubbard and Superexchange Interactions Selectively Localizes Electrons and Holes through Polarons

Controlling the effects of photoexcited polarons in transition metal oxides can enable the long time-scale charge separation necessary for renewable energy applications and controlling new quantum phases through dynamically tunable electron–phonon coupling. In previously studied transition metal oxides, polaron formation is facilitated by a photoexcited ligand-to-metal charge transfer (LMCT). When the polaron is formed, oxygen atoms move away from iron centers, which increases carrier localization at the metal center and decreases charge hopping. Studies of yttrium iron garnet and erbium iron oxide have suggested that strong electron and spin correlations can modulate photoexcited polaron formation. To understand the interplay between strong spin and electronic correlations in highly polar materials, we studied gadolinium iron oxide (GdFeO 3 ), which selectively forms photoexcited polarons through an Fe–O–Fe superexchange interaction. Excitation-wavelength-dependent transient extreme ultraviolet (XUV) spectroscopy selectively excites LMCT and metal-to-metal charge transfer (MMCT) transitions. Here, the LMCT transition suppresses photoexcited polaron formation due to the balance between superexchange and Hubbard interactions, while MMCT transitions result in photoexcited polaron formation within 250 ± 40 fs. Ab initio theory demonstrates that electron and hole polarons localize on iron centers following MMCT. In addition to understanding how strong electronic and spin correlations can control strong electron–phonon coupling, these experiments separately measure electron and hole polaron interactions on neighboring metal centers for the first time, providing insight into a large range of charge-transfer and Mott–Hubbard insulators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Study of Bubble and Slug Gas-Liquid Flow in a Microgravity Environment

The influence of gravity on the two-phase flow dynamics is obvious.As the gravity level is reduced,there is a new balance between inertial and interfacial forces, altering the behavior of the flow. In bubbly flow,the absence of drift velocity leads to spherical-shaped bubbles with a rectilinear trajectory.Slug flow is a succession of long bubbles and liquid slug carrying a few bubbles. There is no flow reversal in the thin liquid film as the long bubble and liquid slug pass over the film. Although the flow structure seems to be simpler than in normal gravity conditions,the models developed for the prediction of flow behavior in normal gravity and extended to reduced gravity flow are unable to predict the flow behavior correctly.An additional benefit of conducting studies in microgravity flows is that these studies aide the development of understanding for normal gravity flow behavior by removing the effects of buoyancy on the shape of the interface and density driven shear flows between the gas and the liquid phases. The proposal calls to study specifically the following: 1) The dynamics of isolated bubbles in microgravity liquid flows will be analyzed: Both the dynamics of spherical isolated bubbles and their dispersion by turbulence, their interaction with the pipe wall,the behavior of the bubbles in accelerated or decelerated flows,and the dynamics of isolated cylindrical bubbles, their deformation in accelerated/decelerated flows (in converging or diverging channels), and bubble/bubble interaction. Experiments will consist of the use of Particle Image Velocimetry (PIV) and Laser Doppler Velocimeters (LDV) to study single spherical bubble and single and two cylindrical bubble behavior with respect to their influence on the turbulence of the surrounding liquid and on the wall 2) The dynamics of bubbly and slug flow in microgravity will be analyzed especially for the role of the coalescence in the transition from bubbly to slug flow (effect of fluid properties and surfactant), to identify clusters that promote coalescence and transition the void fraction distribution in bubbly and slug flow,to measure the wall friction in bubbly flow. These experiments will consist of multiple bubbles type flows and will utilize hot wire and film anemometers to measure liquid velocity and wall shear stress respectively and double fiber optic probes to measure bubble size and velocity as a function of tube radius and axial location.

McQuillen, J.↗

Phase change energy storage for solar dynamic power systems

This paper presents the results of a transient computer simulation that was developed to study phase change energy storage techniques for Space Station Freedom (SSF) solar dynamic (SD) power systems. Such SD systems may be used in future growth SSF configurations. Two solar dynamic options are considered in this paper: Brayton and Rankine. Model elements consist of a single node receiver and concentrator, and takes into account overall heat engine efficiency and power distribution characteristics. The simulation not only computes the energy stored in the receiver phase change material (PCM), but also the amount of the PCM required for various combinations of load demands and power system mission constraints. For a solar dynamic power system in low earth orbit, the amount of stored PCM energy is calculated by balancing the solar energy input and the energy consumed by the loads corrected by an overall system efficiency. The model assumes an average 75 kW SD power system load profile which is connected to user loads via dedicated power distribution channels. The model then calculates the stored energy in the receiver and subsequently estimates the quantity of PCM necessary to meet peaking and contingency requirements. The model can also be used to conduct trade studies on the performance of SD power systems using different storage materials.

Chiaramonte, F. P.↗