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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Model-Based Diagnostics for Propellant Loading Systems

The loading of spacecraft propellants is a complex, risky operation. Therefore, diagnostic solutions are necessary to quickly identify when a fault occurs, so that recovery actions can be taken or an abort procedure can be initiated. Model-based diagnosis solutions, established using an in-depth analysis and understanding of the underlying physical processes, offer the advanced capability to quickly detect and isolate faults, identify their severity, and predict their effects on system performance. We develop a physics-based model of a cryogenic propellant loading system, which describes the complex dynamics of liquid hydrogen filling from a storage tank to an external vehicle tank, as well as the influence of different faults on this process. The model takes into account the main physical processes such as highly nonequilibrium condensation and evaporation of the hydrogen vapor, pressurization, and also the dynamics of liquid hydrogen and vapor flows inside the system in the presence of helium gas. Since the model incorporates multiple faults in the system, it provides a suitable framework for model-based diagnostics and prognostics algorithms. Using this model, we analyze the effects of faults on the system, derive symbolic fault signatures for the purposes of fault isolation, and perform fault identification using a particle filter approach. We demonstrate the detection, isolation, and identification of a number of faults using simulation-based experiments.

Daigle, Matthew John↗
DOE OSTI2020

Momentum-resolved analysis of condensate dynamic and Higgs oscillations in quenched superconductors with time-resolved ARPES

Higgs oscillations in nonequilibrium superconductors provide a unique tool to obtain information about the underlying order parameter. Several properties like the absolute value, existence of multiple gaps, and the symmetry of the order parameter can be encoded in the Higgs oscillation spectrum. Studying Higgs oscillations with time-resolved angle-resolved photoemission spectroscopy (ARPES) has the advantage over optical measurements that a momentum-resolved analysis of the condensate dynamic is possible. In this paper, we investigate the time-resolved spectral function measured in ARPES for different quench protocols. We find that analyzing amplitude oscillations of the ARPES intensity in the whole Brillouin zone allows to understand how the condensate dynamic contributes to the emerging of collective Higgs oscillations. Furthermore, by evaluating the phase of these oscillations, the symmetry deformation dynamic of the condensate can be revealed, which gives insight about the ground state symmetry of the system. With such an analysis, time-resolved ARPES experiments might be used in the future as a powerful tool in the field of Higgs spectroscopy.

36 MATERIALS SCIENCE↗
NASA NTRS1969

Rarefied gas dynamics

Monte Carlo solutions to Boltzmann equation for heat transfer, shock wave, and nonequilibrium gas flow problems

Chow, W.↗
NASA NTRS2007

Hypersonic Magneto-Fluid-Dynamic Compression in Cylindrical Inlet

Hypersonic magneto-fluid-dynamic interaction has been successfully performed as a virtual leading-edge strake and a virtual cowl of a cylindrical inlet. In a side-by-side experimental and computational study, the magnitude of the induced compression was found to be depended on configuration and electrode placement. To better understand the interacting phenomenon the present investigation is focused on a direct current discharge at the leading edge of a cylindrical inlet for which validating experimental data is available. The present computational result is obtained by solving the magneto-fluid-dynamics equations at the low magnetic Reynolds number limit and using a nonequilibrium weakly ionized gas model based on the drift-diffusion theory. The numerical simulation provides a detailed description of the intriguing physics. After validation with experimental measurements, the computed results further quantify the effectiveness of a magnet-fluid-dynamic compression for a hypersonic cylindrical inlet. At a minuscule power input to a direct current surface discharge of 8.14 watts per square centimeter of electrode area produces an additional compression of 6.7 percent for a constant cross-section cylindrical inlet.

Shang, Joseph S.↗
DOE OSTI2020

Addition of Short Polymer Chains Mechanically Reinforces Glassy Poly(2-vinylpyridine)–Silica Nanoparticle Nanocomposites

The addition of hard fillers to a polymer matrix is a well-known process for achieving mechanical reinforcement. With a decrease in the size of the fillers, the contribution from polymer–particle nanometer-sized interfaces become significant, and these interfaces affect the mechanical performance of polymer nanocomposites (PNCs) beyond the limits established for conventional composites. However, the molecular mechanisms underlying the improvement in the mechanical performance of glassy PNCs remain unresolved, necessitating a deeper understanding of the structure–property relationships in these intrinsically heterogeneous systems. In this effort, by using Brillouin light scattering (BLS) and dynamic mechanical analysis (DMA), we demonstrated that adding shorter chains to a PNC prepared with high molecular weight polymers significantly improved the mechanical properties of the PNC in the glassy state. The strongest enhancement of mechanical properties occurred at an optimum concentration of short chains. This is in contrast to behavior of the glass transition temperature of PNCs which shows a monotonic decrease with an increase in the concentration of shorter chains. Using experimental data and coarse-grained molecular dynamics (MD) simulations, we have identified the molecular mechanism leading to the observed non-monotonic changes in mechanical reinforcement. Here, this mechanism includes changes in the nanoscale organization at the interface, combined with chain stretching amplified by the addition of the short chains. Overall, our approach paves a simple, cost-effective pathway to fabricating glassy PNCs with significantly improved mechanical properties that will fill various practical needs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Universal phase dynamics in VO 2 switches revealed by ultrafast operando diffraction

Understanding the pathways and time scales underlying electrically driven insulator-metal transitions is crucial for uncovering the fundamental limits of device operation. Using stroboscopic electron diffraction, we perform synchronized time-resolved measurements of atomic motions and electronic transport in operating vanadium dioxide (VO 2 ) switches. We discover an electrically triggered, isostructural state that forms transiently on microsecond time scales, which is shown by phase-field simulations to be stabilized by local heterogeneities and interfacial interactions between the equilibrium phases. This metastable phase is similar to that formed under photoexcitation within picoseconds, suggesting a universal transformation pathway. Our results establish electrical excitation as a route for uncovering nonequilibrium and metastable phases in correlated materials, opening avenues for engineering dynamical behavior in nanoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effects of non-thermal termolecular reactions on wedge-induced oblique detonation waves

The shock-induced combustion ramjet (Shcramjet) based on oblique detonation waves (ODWs) is among the promising choices for hypersonic propulsion systems. An understanding of the ignition, propagation, and stability of ODWs is critical to harnessing their propulsive potential. In such high speed reacting flows, there is a high probability of occurrence of non-thermal reactions due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 as demonstrated recently [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078–1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. The present work focuses on examining the initiation, propagation and structure of oblique detonation waves in stoichiometric H 2 -air mixtures through numerical simulations with and without non-thermal reactivity on a two-dimensional adaptive grid. Non-thermal reactions were included in the macroscopic kinetic model as chemically termolecular reactions facilitated by the H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Since, the non-thermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions, an additional simulation was performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. Results show that, under ODWE relevant conditions, non-thermal reactivity fundamentally alters the induction length, intensity as well as the structure of the ODW. Specifically, it is found that non-thermal reactivity leads to a noticeable reduction in initiation length and a simultaneous increase in instantaneous peak heat release rate and the degree of unsteadiness of the ODW. Finally, statistical analysis of key thermo-chemical variables is performed to elucidate the important species as well as reactions responsible for the observed variations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Motif magnetism and quantum many-body scars

In this work, we generally expect quantum systems to thermalize and satisfy the eigenstate thermalization hypothesis (ETH), which states that finite-energy-density eigenstates are thermal. However, some systems, such as many-body localized systems and systems with quantum many-body scars, violate ETH and have high-energy athermal eigenstates. In systems with scars, most eigenstates thermalize, but a few atypical scar states do not. Scar states can give rise to a periodic revival when time-evolving particular initial product states, which can be detected experimentally. Recently, a family of spin Hamiltonians was found with magnetically ordered three-colored eigenstates that are quantum many-body scars [Lee et al., Phys. Rev. B 101, 241111(R) (2020)]. These models can be realized in any lattice that can be tiled by triangles, such as the triangular or kagome lattices, and have been shown to have close connections to the physics of quantum spin liquids in the Heisenberg kagome antiferromagnet. In this paper, we introduce a generalized family of n-colored Hamiltonians with “spiral colored” eigenstates made from n-spin motifs such as polygons or polyhedra. We show how these models can be realized in many different lattice geometries and provide numerical evidence that they can exhibit quantum many-body scars with periodic revivals that can be observed by time-evolving simple product states. The simple structure of these Hamiltonians makes them promising candidates for future experimental studies of quantum many-body scars.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Universal progression of structure and dynamics in colloidal nanocrystal gels during salt-accelerated aging

Controlling the structure and function of colloidal gels requires a detailed understanding of how the various components govern network formation and aging. In particular, molecular additives like salts are widely used to tune interparticle interactions, yet their influence on gelation pathways in complex systems such as colloidal nanocrystal gels remains inadequately understood. Here, we investigate how noncoordinating salts modulate the evolution of gels formed using chemically linked tin-doped indium oxide nanocrystals. Through combined structural, dynamic, and kinetic analyses, we demonstrate that increasing salt concentration accelerates gelation. When rescaled by salt-dependent characteristic times, the evolution collapses onto universal trajectories, revealing a time-salt superposition principle. The universality extends across length scales, suggesting a consistent salt-dependent mechanism that controls both local structuring and macroscopic network formation. This observed salt modulation of structure and dynamics provides a predictive basis for controlling the kinetics of nonequilibrium nanocrystal gel assembly, enhancing the rational design of functional nanomaterials with tunable properties.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Pathfinder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.

Olynick, David R.↗
NASA NTRS2005

Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Path finder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.

Gnoffo, Peter A.↗
NASA NTRS1997

Computational Aerothermodynamic Design Issues for Hypersonic Vehicles

A brief review of the evolutionary progress in computational aerothermodynamics is presented. The current status of computational aerothermodynamics is then discussed, with emphasis on its capabilities and limitations for contributions to the design process of hypersonic vehicles. Some topics to be highlighted include: (1) aerodynamic coefficient predictions with emphasis on high temperature gas effects; (2) surface heating and temperature predictions for thermal protection system (TPS) design in a high temperature, thermochemical nonequilibrium environment; (3) methods for extracting and extending computational fluid dynamic (CFD) solutions for efficient utilization by all members of a multidisciplinary design team; (4) physical models; (5) validation process and error estimation; and (6) gridding and solution generation strategies. Recent experiences in the design of X-33 will be featured. Computational aerothermodynamic contributions to Mars Pathfinder, METEOR, and Stardust (Comet Sample return) will also provide context for this discussion. Some of the barriers that currently limit computational aerothermodynamics to a predominantly reactive mode in the design process will also be discussed, with the goal of providing focus for future research.

Gnoffo, Peter A.↗
DOE OSTI2026

Dynamic Nanoscale Spatial Heterogeneity in a Perovskite-to-Brownmillerite Topotactic Phase Transformation

Phase transitions are omnipresent in modern condensed matter physics and its applications. In solids, first-order phase transformations typically occur by nucleation and growth under nonequilibrium conditions. Under constant external conditions, e.g., constant annealing temperature and pressure, the nucleation and growth dynamics are often thought of as spatially and temporally independent. Here, in situ Bragg X-ray photon correlation spectroscopy (XPCS) reveals nanoscale spatial and dynamical heterogeneity in the perovskite-to-brownmillerite topotactic phase transformation in La 0.7 Sr 0.3 CoO 3 thin films annealed under constant reducing conditions over a time span of multiple hours. Specifically, a time scale associated with domain growth remains stable, with a corresponding domain wall speed of v d = 6 ± 0.5 × 10 –4 nm/s (2 ± 0.2 nm/h), while a slower time scale, associated with temperature-driven depinning of domains, leads to accelerating dynamics with time scales following an aging power law with exponent −2.2 ± 0.5. This experiment demonstrates that Bragg XPCS is a powerful tool to study nanoscale dynamics in structural phase transformations, with the ability to extract quantitative average values related to nanodomain motion in situ. Furthermore, the results are relevant for phase engineering of phase-change devices, as they show that nanoscale dynamics, linked to domain and domain-wall motion, can continuously evolve and speed up with time, even hours after the initiation of the phase transformation, with potential repercussions on electrical performance.

X-ray photon correlation spectroscopy↗
DOE OSTI2020

Fluctuation dynamics near the QCD critical point

The evolution of nonhydrodynamic slow processes near the QCD critical point is explored with the novel hydro+ framework, which extends the conventional hydrodynamic description by coupling it to additional explicitly evolving slow modes describing long wavelength fluctuations. Here, their slow relaxation is controlled by critical behavior of the correlation length and is independent from gradients of matter density and pressure that control the evolution of the hydrodynamic quantities. In this exploratory study, we follow the evolution of the slow modes on top of a simplified QCD matter background, allowing us to clearly distinguish and study, both separately and in combination, the main effects controlling the dynamics of critical slow modes. In particular, we show how the evolution of the slow modes depends on their wave number, the expansion of and advection by the fluid background, and the behavior of the correlation length. Nonequilibrium contributions from the slow modes to bulk matter properties that affect the bulk dynamics (entropy, pressure, temperature, and chemical potential) are discussed and found to be small.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Interface Coating Design for Dynamic Voltage Stability of Solid‐State Batteries

Abstract Intrinsic or interface thermodynamic voltage windows of solid electrolytes are often narrower than the operational voltage range needed by a full battery, thus various interface decomposition reactions can happen in a practical solid‐state battery. Experimentally, it is found that a proper battery design utilizing the reactions can lead to a dynamic evolution from interface instability to stability, giving the so‐called dynamic voltage stability for advanced battery performance. Here, first the state‐of‐the‐art understanding is articulated about how the dynamic voltage stability should be interpreted in physical picture and treated in computation, emphasizing the potential importance of nonequilibrium reaction pathways. The constrained ensemble computational approach is further applied across most types of solid‐state electrolytes to systematically evaluate and compare their dynamic stability voltage windows in response to the mechanical constriction effect. High‐throughput calculations are used to search for coating materials for different interfaces between sulfide, halide, and oxide electrolytes and typical cathode materials with enhanced dynamic voltage stability. A comparison with experiment is given to highlight the value of these computational predictions.

Wang, Yichao↗
DOE OSTI2021

Floquet Prethermalization with Lifetime Exceeding 90 s in a Bulk Hyperpolarized Solid

Here, we report the observation of long-lived Floquet prethermal states in a bulk solid composed of dipolar-coupled 13 C nuclei in diamond at room temperature. For precessing nuclear spins prepared in an initial transverse state, we demonstrate pulsed spin-lock Floquet control that prevents their decay over multiple-minute-long periods. We observe Floquet prethermal lifetimes $T^{'}_{2}$≈90.9 s, extended >60 000-fold over the nuclear free induction decay times. The spins themselves are continuously interrogated for ~10 min, corresponding to the application of ≈5.8×10 6 control pulses. The 13 C nuclei are optically hyperpolarized by lattice nitrogen vacancy centers; the combination of hyperpolarization and continuous spin readout yields significant signal-to-noise ratio in the measurements. This allows probing the Floquet thermalization dynamics with unprecedented clarity. We identify four characteristic regimes of the thermalization process, discerning short-time transient processes leading to the prethermal plateau and long-time system heating toward infinite temperature. This Letter points to new opportunities possible via Floquet control in networks of dilute, randomly distributed, low-sensitivity nuclei. In particular, the combination of minutes-long prethermal lifetimes and continuous spin interrogation opens avenues for quantum sensors constructed from hyperpolarized Floquet prethermal nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Nonequilibrium magnons studied by inelastic neutron scattering

In this work, we explore time-resolved dynamics of non-equilibrium magnons in Rb2MnF4, a model two-dimensional square lattice Heisenberg antiferromagnet using a novel laser-neutron pump-probe technique. This technique uses a nanosecond pulsed laser to periodically excite magnons to out-of-equilibrium states and then probe the resulting dynamics using INS.

36 MATERIALS SCIENCE↗