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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Dynamic thermophysical measurements in space

The objective is to develop an accurate dynamic technique which, in a microgravity environment, would enable performance of thermophysical measurements on high-melting-point electrically conducting substances in their liquid state. In spite of the critical need in high temperature technologies related to spacecraft, nuclear reactors, effects of power laser radiation, and in validating theoretical models in related areas, no accurate data on thermophysical properties exist. This is primarily due to the limitation of the reliable steady-state techniques to temperatures below about 2000 K, and the accurate millisecond-resolution pulse heating techniques to the solid state of the specimen. The limitation of the millisecond-resolution techniques to temperatures below the melting point stems from the fact that the specimen collapses due to the gravitational force once it starts to melt. The rationale for the use of the microgravity is that by performing the dynamic experiments in a microgravity environment the specimen will retain its geometry, and thus it will be possible to extend the accurate thermophysical measurements to temperatures above the melting point of high-melting-point substances.

Cezairliyan, Ared↗
DOE OSTI2025

Century: Zap Energy’s 100-kW-Scale Repetitive Sheared-Flow-Stabilized Z -Pinch System with Liquid Metal Cooling

Zap Energy is developing the sheared-flow-stabilized (SFS) Z-pinch concept for commercial applications. The SFS Z pinch relies on plasma self-organization, in the sense that plasma dynamics play a critical role in confinement. Using plasma axial current for confinement and compression eliminates the need for external confinement or heating technologies. This compact magnetic confinement technology could, in turn, provide the basis for a cost-effective deuterium-tritium fusion power plant. In addition to a robust experimental program pushing plasma performance towards breakeven conditions, Zap Energy has parallel programs developing power handling systems suitable for future power plants. Technologies under development include high average-power repetitive pulsed power, high duty-cycle cathodes, and liquid metal wall systems. Century is the name of Zap Energy’s first effort to integrate these three components into an operational system capable of firing non-reacting hydrogen SFS Z-pinch plasmas into a liquid-metal-lined container at sustained repetition rates on the order of 0.1 Hz. Here, the pulsed power driver and liquid metal heat exchanger are both designed to sustain input powers of 100 kW. Construction and initial operations with an interim ~10 kW liquid metal heat exchanger are described.

Century↗
DOE OSTI2020

Application of Dynamical System Scaling to Bubble Dynamics

Dynamical System Scaling (DSS) provides a useful method for analyzing, categorizing and scaling time-dependent processes. A key feature of DSS is the temporal displacement rate, D, which relates the natural process time to the reference clock time. Because of its property of being invariant under a two-parameter affine transformation, it provides an underlying basis for process scaling. Application of DSS to bubble dynamics serves to elucidate the physical significance of the temporal displacement rate and its role in scaling a variety of bubble dynamics processes. This paper shows that the temporal displacement rate consists of the sum of dimensionless groups that govern the bubble dynamics. Preserving the temporal displacement rate for a prototype and a scaled model results in similitude of the time-dependent normalized bubble size, growth rates and interfacial accelerations for different fluid conditions. For vapor bubble growth in a superheated liquid, it is shown that inertial controlled bubble growth occurs when D=0 and thermally controlled bubble growth occurs when D=1 .

dynamical system scaling, SMR, bubble dynamics, DS↗
NASA NTRS1972

A dynamic solar-electric power/thermal control system for spacecraft.

This paper describes a solar-electric power and active thermal control system for spacecraft with solar energy to electricity conversion efficiency of more than 20%. Briefly, the solar heat energy is absorbed by flat plate collectors yielding above 70% of the energy incident for conversion by an organic condensing cycle. The cycle operates between 132 and 6.67 deg C. The working fluid is F-114 which flows through a solar collector to absorb heat, then through a regenerator and into the radiator where it is condensed to a liquid. The cold liquid flows through two paths, one providing regenerator cooling, the other providing spacecraft thermal control. The system total weight is about 170kg/kW of electrical energy produced. The dynamic system replaces batteries by a thermal capacitor for eclipse period energy storage, thereby eliminating many battery charging and control problems as well as improving efficiency and weight characteristics of the system.

Davis, B. K.↗
DOE OSTI2022

Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

The design and development of fully functional Molten-Salt Reactors (MSR) require detailed knowledge of the molten salt properties in order to understand and predict the salt’s behavior. Fundamental properties of interest include molecular structure, speciation, and dynamics (such as diffusion coefficients) of salt components and dissolved corrosion and fission products. Computer modeling is necessary to predict changes in physical and chemical properties due to irradiation, burning of dissolved fuel, and corrosion. The modeling requires experimental data, and advanced neutron and x-ray scattering and spectroscopy provide the most reliable and direct determination of the structure (Pair-Distribution Functions, PDF), and dynamics of ions in the melt. This project dealt with both fluoride and chloride salts. The PDFs have been measured by a combination of neutron and x-ray diffraction. We utilized the techniques of isotope substitutions, a very powerful tool available for neutron-scattering, to extract the details of the liquid structure. Although similar measurements have been done before, modern advanced neutron and x-ray-scattering techniques allow collecting the data at much higher resolution and in a wider range of temperatures. Importantly, we were among the first to study fluoride salts by neutron scattering. The importance of impurities and their effects on salt properties have become apparent recently and so new methods of salt purification were developed. We took advantage of these developments to produce reliable data, which have been used for computer simulations of both clean salts and those with added fission and corrosion products most relevant for MSRs. Ab initio molecular dynamics simulations have been performed to understand the multi-component liquid solution, in particular solubility of impurities and thermodynamic interactions in relation to the ionic-cluster structure of the fluid. We applied machine learning to regress from the simulation and experimental data in order to develop a fast-acting model that can handle molten salt with an arbitrary (≥ 10) number of chemical elements and be able to predict chemical potential as a function of composition and temperature. This project resulted in a number of experimental and computer-simulation publications, a patent application, and numerous conference presentations (American Physical Society, American Chemical Society, and The Electrochemical Society among others). Multiple students and postdocs participated and collaborated on aspects of this project. This project seeded new collaborations between MIT and other institutions, such as the University of Massachusetts Lowell, the University of Illinois Urbana-Champaign, the University of California Berkeley, and Oak Ridge and Los Alamos National Labs. As such, this project has had a broad and lasting impact beyond its original scientific scope.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

From irregular to regular eutectic growth in the Al-Al 3 Ni system: In situ observations during directional solidification

Here we investigate the irregular eutectic growth dynamics of the Al-Al 3 Ni alloy, in which one of the solid phases (Al 3 Ni) grows faceted from the liquid. Leveraging in situ optical microscopy and synchrotron transmission x-ray microscopy, we address the question of the degree of coupling between Al and Al 3 Ni at the growth front and that of the shape of the microstructures left behind in the bulk solid during directional solidification. Real-time optical observations bring evidence for a morphological transition from a eutectic-grain dependent, irregular eutectic growth at low solidification velocity V (typically 1 μm s -1 ), to a weakly anisotropic, regular growth at higher V ( reaching 10 μm s -1 ). Unprecedented x-ray nano-imaging of the solid–liquid interface, and 3D characterization of the growth patterns, were made possible by a new DS setup at Brookhaven National Laboratory’s NSLS-II. At low V, the leading tips of partly faceted Al 3 Ni crystals are observed to grow not far ahead of the Al growth front. Correlating in situ images and postmortem 3D tomographic reconstructions reveals that the presence of faceted and non-faceted regions of Al 3 Ni crystals in the solid is a direct consequence of coupling and decoupling during DS, respectively. Upon increasing V, the lead distance of Al 3 Ni vanishes, and the shape of Al 3 Ni ceases to be governed by faceted growth. These observations cast light onto the basic mechanisms (faceted growth, diffusive coupling, and the dynamics of trijunctions) governing a faceted to rod-like transition upon increasing V in the Al 3 Ni system, with broad implications to a large class of irregular eutectics.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Consequences of Tidal Dissipation in a Putative Venusian Ocean

The solar tide in an ancient Venusian ocean is simulated using a dedicated numerical tidal model. Simulations with varying ocean depth and rotational periods ranging from minus 243 to 64 sidereal Earth days are used to calculate the tidal dissipation rates and associated tidal torque. The results show that the tidal dissipation could have varied by more than 5 orders of magnitude, from 0.001 to 780 gigawatts (GW), depending on rotational period and ocean depth. The associated tidal torque is about 2 orders of magnitude below the present day Venusian atmospheric torque, and could change the Venusian daylength by up to 72 days per million years depending on rotation rate. Consequently, an ocean tide on ancient Venus could have had significant effects on the rotational history of the planet. These calculations have implications for the rotational periods of similarly close-in exoplanetary worlds and the location of the inner edge of the liquid water habitable zone.

Dynamical evolution and stability↗
DOE OSTI2023

Proximate spin liquid and fractionalization in the triangular antiferromagnet KYbSe 2

The Heisenberg triangular-lattice quantum spin liquid and its phase transitions to nearby magnetic orders have received much theoretical attention, but clear experimental manifestations of these states are rare. Here we demonstrate that a spin-half delafossite material, namely, KYbSe 2 , shows close proximity to the triangular-lattice Heisenberg quantum spin liquid. Using neutron scattering, we identify a diffuse continuum with a sharp lower bound within the measured spectra. Applying entanglement witnesses to the data indicates multipartite entanglement spread between its neighbours, and an analysis of its magnetic-exchange couplings reveals close proximity to the theoretical quantum spin-liquid phase. The key features of the data are reproduced by Schwinger boson theory and tensor network calculations with a substantial next-nearest-neighbour coupling. The strength of the dynamical structure factor at the Brillouin-zone K point shows a scaling collapse down to 0.3 K, indicating the existence of a second-order quantum phase transition. Finally, comparing this with previous theoretical work suggests that the proximate phase at a larger next-nearest-neighbour coupling is a gapped $\mathbb{Z}_{2}$ spin liquid, resolving a long-debated issue. Similar content being viewed by others

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Hidden domain boundary dynamics toward crystalline perfection

A central paradigm of nonequilibrium physics concerns the dynamics of heterogeneity and disorder, impacting processes ranging from the behavior of glasses to the emergent functionality of active matter. Understanding these complex mesoscopic systems requires probing the microscopic trajectories associated with irreversible processes, the role of fluctuations and entropy growth, and the timescales on which nonequilibrium responses are ultimately maintained. Approaches that illuminate these processes in model systems may enable a more general understanding of other heterogeneous nonequilibrium phenomena, and potentially define ultimate speed and energy cost limits for information processing technologies. Here, we apply ultrafast single-shot X-ray photon correlation spectroscopy to resolve the nonequilibrium, heterogeneous, and irreversible mesoscale dynamics during a light-induced phase transition in a (PbTiO 3 ) 16 /(SrTiO 3 ) 16 superlattice. Such ferroelectric superlattice systems are a useful platform to study phase transitions and topological dynamics due to their high degree of tunability. This provides an approach for capturing the nucleation of the light-induced phase, the formation of transient mesoscale defects at the boundaries of the nuclei, and the eventual annihilation of these defects, even in systems with complex polarization topologies. We identify a nonequilibrium correlation response spanning >10 orders of magnitude in timescales, with multistep behavior similar to the plateaus observed in supercooled liquids and glasses. We further show how the observed time-dependent long-time correlations can be understood in terms of stochastic and non-Markovian dynamics of domain walls, encoded in waiting-time distributions with power-law tails. This work defines possibilities for probing the nonequilibrium and correlated dynamics of disordered and heterogeneous media.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Heat transport in liquid water from first-principles and deep neural network simulations

In this work, we compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potential energy surface (PES) is derived on the fly from the electronic ground state of density functional theory (DFT) and the corresponding analytical expression is used for the energy flux. In the other, the PES is represented by a deep neural network (DNN) trained on DFT data, whereby the PES has an explicit local decomposition and the energy flux takes a particularly simple expression. By virtue of a gauge invariance principle, established by Marcolongo, Umari, and Baroni, the two approaches should be equivalent if the PES were reproduced accurately by the DNN model. We test this hypothesis by calculating the thermal conductivity, at the GGA (PBE) level of theory, using the direct formulation and its DNN proxy, finding that both approaches yield the same conductivity, in excess of the experimental value by approximately 60%. Besides being numerically much more efficient than its direct DFT counterpart, the DNN scheme has the advantage of being easily applicable to more sophisticated DFT approximations, such as meta-GGA and hybrid functionals, for which it would be hard to derive analytically the expression of the energy flux. We find in this way that a DNN model, trained on meta-GGA (SCAN) data, reduces the deviation from experiment of the predicted thermal conductivity by about 50%, leaving the question open as to whether the residual error is due to deficiencies of the functional, to a neglect of nuclear quantum effects in the atomic dynamics, or, likely, to a combination of the two.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Long-time dynamic compatibility of elastomeric materials with hydrazine

The tensile property surfaces for two elastomeric materials, EPT-10 and AF-E-332, were generated in air and in liquid hydrazine environments using constant strain rate tensile tests over a range of temperatures and elongation rates. These results were used to predict the time-to-rupture for these materials in hydrazine as a function of temperature and amount of strain covering a span of operating times from less than a minute to twenty years. The results of limited sheet-folding tests and their relationship to the tensile failure boundary are presented and discussed.

Coulbert, C. D.↗
DOE OSTI2026

Alignment switching in 3D-printed smectic liquid crystal elastomers

Extrusion-based additive manufacturing has emerged as a powerful platform for designing shape-morphing materials through controlled orientation. However, existing approaches primarily rely on a single mode of flow-induced alignment, limiting orientation programmability. Herein, we present a direct-ink-writing approach for smectic liquid crystal elastics that exploits two distinct alignment modes within a single ink. The smectic ink exhibits shear- and temperature-dependent orientation switching, enabling molecular alignment either perpendicular or parallel to the print direction. Combined rheological, X-ray, and molecular dynamics analyses reveal that this alignment inversion arises from the preservation or collapse of smectic layers under flow. This reversible switching encodes both contractile and elongational actuation within individual filaments, greatly expanding the design freedom of printed liquid crystal elastomers. We demonstrate 2D and 3D structures with diverse programmed shape transformations, highlighting the potential of this platform for adaptive soft actuators and architected functional materials.

Lee, Jin Hyeong [Pusan National University, Busan,↗
DOE OSTI2021

Relationship Between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water

The split of the 1??! peak observed in the X-ray emission (XE) spectrum of liquid water has been the focus of intense research over the last two decades. Although several hypotheses have been proposed to explain the origin of the 1??! splitting, a general consensus has not yet been reached. In this study, we introduce a novel theoretical/computational approach which, combining pathintegral molecular dynamics (PIMD) simulations carried out with the MB-pol potential energy function and time-dependent density functional theory (TD-DFT) calculations, correctly predicts the split of the 1??! peak in liquid water and not in crystalline ice. A systematic analysis in terms of the underlying local structure of liquid water at ambient conditions indicates that several different hydrogen-bonding motifs contribute to the overall XE lineshape in the energy range corresponding to emissions from the 1??! orbitals, which suggests that it is not possible to unambiguously attribute the split of the 1??! peak to only two specific structural arrangements of the underlying hydrogen-bonding network.

Cruzeiro, Vinicius↗
NASA NTRS2011

Analytical Solution and Physics of a Propellant Damping Device

NASA design teams have been investigating options for "detuning" Ares I to prevent oscillations originating in the vehicle solid-rocket main stage from synching up with the natural resonance of the rest of the vehicle. An experimental work started at NASA MSFC center in 2008 using a damping device showed great promise in damping the vibration level of an 8 resonant tank. However, the mechanisms of the vibration damping were not well understood and there were many unknowns such as the physics, scalability, technology readiness level (TRL), and applicability for the Ares I vehicle. The objectives of this study are to understand the physics of intriguing slosh damping observed in the experiments, to further validate a Computational Fluid Dynamics (CFD) software in propellant sloshing against experiments with water, and to study the applicability and efficiency of the slosh damper to a full scale propellant tank and to cryogenic fluids. First a 2D fluid-structure interaction model is built to model the system resonance of liquid sloshing and structure vibration. A damper is then added into the above model to simulate experimentally observed system damping phenomena. Qualitative agreement is found. An analytical solution is then derived from the Newtonian dynamics for the thrust oscillation damper frequency, and a slave mass concept is introduced in deriving the damper and tank interaction dynamics. The paper will elucidate the fundamental physics behind the LOX damper success from the derivation of the above analytical equation of the lumped Newtonian dynamics. Discussion of simulation results using high fidelity multi-phase, multi-physics, fully coupled CFD structure interaction model will show why the LOX damper is unique and superior compared to other proposed mitigation techniques.

Yang, H. Q.↗
DOE OSTI2024

Field-controlled dynamics of skyrmions and monopoles

Magnetic monopoles, despite their ongoing experimental search as elementary particles, have inspired the discovery of analogous excitations in condensed matter systems. In chiral condensed matter systems, emergent monopoles are responsible for the onset of transitions between topologically distinct states and phases, such as in the case of transitions from helical and conical phase to A-phase comprising periodic arrays of skyrmions. By combining numerical modeling and optical characterizations, we describe how different geometrical configurations of skyrmions terminating at monopoles can be realized in liquid crystals and liquid crystal ferromagnets. We demonstrate how these complex structures can be effectively manipulated by external magnetic and electric fields. Furthermore, we discuss how our findings may hint at similar dynamics in other physical systems and their potential applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1999

Bubble Generation in a Continuous Liquid Flow Under Reduced Gravity Conditions

The present work reports a study of bubble generation under reduced gravity conditions for both co-flow and cross-flow configurations. Experiments were performed aboard the DC-9 Reduced Gravity Aircraft at NASA Glenn Research Center, using an air-water system. Three different flow tube diameters were used: 1.27, 1.9, and 2.54 cm. Two different ratios of air injection nozzle to tube diameters were considered: 0.1 and 0.2. Gas and liquid volumetric flow rates were varied from 10 to 200 ml/s. It was experimentally observed that with increasing superficial liquid velocity, the bubbles generated decreased in size. The bubble diameter was shown to increase with increasing air injection nozzle diameters. As the tube diameter was increased, the size of the detached bubbles increased. Likewise, as the superficial liquid velocity was increased, the frequency of bubble formation increased and thus the time to detach forming bubbles decreased. Independent of the flow configuration (for either single nozzle or multiple nozzle gas injection), void fraction and hence flow regime transition can be controlled in a somewhat precise manner by solely varying the gas and liquid volumetric flow rates. On the other hand, it is observed that uniformity of bubble size can be controlled more accurately by using single nozzle gas injection than by using multiple port injection, since this latter system gives rise to unpredictable coalescence of adjacent bubbles. A theoretical model, based on an overall force balance, is employed to study single bubble generation in the dynamic and bubbly flow regime. Under conditions of reduced gravity, the gas momentum flux enhances bubble detachment; however, the surface tension forces at the nozzle tip inhibits bubble detachment. Liquid drag and inertia can act either as attaching or detaching force, depending on the relative velocity of the bubble with respect to the surrounding liquid. Predictions of the theoretical model compare well with performed experiments. However, at higher superficial,liquid velocities, the bubble neck length begins to significantly deviate from the value of the air injection nozzle diameter and thus the theory no longer predicts the experiment behavior. Effects of fluid properties, injection geometry and flow conditions on generated bubble size are investigated using the theoretical model. It is shown that bubble diameter is larger in a reduced gravity environment than in a normal gravity environment at similar flow condition and flow geometry.

Pais, Salvatore Cezar↗
DOE OSTI2022

Isotropic-to-Nematic Transition in Salt-Free Polyelectrolyte Coacervates from Coarse-Grained Simulations

Recent interest in complex coacervation between oppositely charged polyelectrolytes (PEs) has been fueled by its relevance to biology in the context of membraneless organelle formation within living cells. For PEs with limited flexibility (such as double-stranded DNA), theoretical treatments and recent experiments have reported the emergence of liquid crystalline order (LCO) within the resulting coacervate phases. In this work, we study the underlying physics of this phenomenon using coarse-grained molecular dynamics simulations of symmetric semiflexible-semiflexible and asymmetric semiflexible-flexible coacervates. By comparing coacervates with the corresponding semidilute solutions of neutral polymers, we demonstrate that the presence of Coulomb interactions in coacervates facilitates orientational ordering, in agreement with theoretical predictions. Quantitative comparisons between our simulations and theory indicate that, for asymmetric nematic coacervates, the strong orientational ordering of stiff polyanions induces a weak ordering of the flexible polycations-an effect that was not anticipated by available theoretical studies. Simulations reveal that, for nematic coacervates, the preferred orientation of the PE chains at the liquid-liquid coacervate-supernatant interface is parallel, and the alignment of semiflexible PEs is homogeneous. The results presented here provide new molecular-level insights into the intracoacervate LCO and will help motivate further experimental and theoretical activities in this area.

36 MATERIALS SCIENCE↗