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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Self-lubricated mantle convection: Two-dimensional models

We present results from convection models allowing for self-lubrication of downflows. Models impose a line source of chemically light, low viscosity material at the top of a convecting layer of temperature-dependent viscosity material. Low viscosity surface material serves as an analog to hydrated sediment/crust and the high viscosity upper portion of the convecting layer as an analog to mantle lithosphere. Slow near surface motion in the convecting layer entrains low viscosity material into zones of downflow, which has a lubricating effect. Once entrained lubricant is deeper than the cold high viscosity portion of the convecting layer, rapid upper boundary layer overturn occurs and system properties change (e.g., heat flux doubles). This marks transition to a lubricated state. Before and after transition, transport properties are dominantly determined by, respectively, the viscosity of mantle lithosphere and that of interior mantle. Lubricated and nonlubricated states appear as distinct regions in system output space suggesting that exchange between them is akin to a phase transition. That such exchange depends on a near surface lubricant implies that the geodynamics of planets lacking such lubricants may fundamentally differ from that of planets possessing them.

Lenardic, A.↗
DOE OSTI2023

Shape evolution in even-mass 98-104 Zr isotopes via lifetime measurements using the $\gamma \gamma $-coincidence technique

The Zirconium (Z = 40) isotopic chain has attracted interest for more than four decades. The abrupt lowering of the energy of the first 2 + state and the increase in the transition strength B(E2; 2$^+_1$ →0$^+_1$) going from 98 Zr to 100 Zr has been the first example of “quantum phase transition” in nuclear shapes, which has few equivalents in the nuclear chart. Although a multitude of experiments have been performed to measure nuclear properties related to nuclear shapes and collectivity in the region, none of the measured lifetimes were obtained using the Recoil Distance Doppler Shift method in the γγ-coincidence mode where a gate on the direct feeding transition of the state of interest allows a strict control of systematical errors. Here this work reports the results of lifetime measurements for the first yrast excited states in 98-104 Zr carried out to extract reduced transition probabilities. The new lifetime values in γγ-coincidence and γ-single mode are compared with the results of former experiments. Recent predictions of the Interacting Boson Model with Configuration Mixing, the Symmetry Conserving Configuration Mixing model based on the Hartree–Fock–Bogoliubov approach and the Monte Carlo Shell Model are presented and compared with the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

ASSIST: User's manual

Semi-Markov models can be used to compute the reliability of virtually any fault-tolerant system. However, the process of delineating all of the states and transitions in a model of a complex system can be devastingly tedious and error-prone. The ASSIST program allows the user to describe the semi-Markov model in a high-level language. Instead of specifying the individual states of the model, the user specifies the rules governing the behavior of the system and these are used by ASSIST to automatically generate the model. The ASSIST program is described and illustrated by examples.

Johnson, S. C.↗
NASA NTRS1987

Automated model generation for reliability analysis programs

Semi-Markov models (a generalization of Markov models) can be used to calculate the reliability of virtually any fault-tolerant system. However, the process of delineating all of the states and transitions in the model of a complex system can be devastatingly tedious and error-prone. The ASSIST program allows the user to describe the semi-Markov model in a high-level language. Instead of specifying the individual states of the model, the user specifies the rules governing the behavior of the system, and these are used by ASSIST to automatically generate the model. A small number of statements in the abstract language can be used to describe a very large, complex model. Because no assumptions are made about the system being modeled, the ASSIST program can be used to generate models describing the behavior of any type of system. The ASSIST program and its input language are described and illustrated by examples.

Johnson, Sally C.↗
NASA NTRS1991

Modeling personnel turnover in the parametric organization

A model is developed for simulating the dynamics of a newly formed organization, credible during all phases of organizational development. The model development process is broken down into the activities of determining the tasks required for parametric cost analysis (PCA), determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the model, implementing the model, and testing it. The model, parameterized by the likelihood of job function transition, has demonstrated by the capability to represent the transition of personnel across functional boundaries within a parametric organization using a linear dynamical system, and the ability to predict required staffing profiles to meet functional needs at the desired time. The model can be extended by revisions of the state and transition structure to provide refinements in functional definition for the parametric and extended organization.

Dean, Edwin B.↗
DOE OSTI2025

Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering

Electronic structures of iron in glasses are essential for unraveling the effect of transition metals on amorphous networks and controlling the electro-optical and transport properties of advanced glasses and amorphous energy-storing materials. The electronic configurations around iron in glasses, however, remain not well understood due to the structural disorders arising from multiple iron species with distinct valence, coordination, and spin states. Here, the first 1s3p resonant inelastic X-ray scattering (RIXS) for oxide glasses identifies hidden electronic configurations for Fe 2+ and Fe 3+ in amorphous networks. The results allow us to quantify the composition-induced evolution of oxygen ligand–field interactions of high-spin Fe 3d states with varying valence and coordination environments in complex glasses. The distinct electronic structures account for the electronic origins of iron-induced changes in the glass properties. The results offer prospects for a simultaneous probing of valence, coordination, and spin states of transition metals in diverse multicomponent oxide glasses and functional amorphous solids via 1s3p RIXS.

Kim, Yong-Hyun [Seoul National Univ. (Korea, Repub↗
NASA NTRS1985

Improved excitation rate coefficients for the n = 2 and n = 3 levels of Ca XIX and Fe XXV including fine structure

Reently calculated collision strengths, including relativistic and resonance effects, are employed to compute Maxwellian averaged collision strengths for 78 transitions involving states of principal quantum numbers 2-1 and 3-1 in Ca XIX and Fe XXV. These rate parameters are tabulated at temperatures of interest in astrophysical and labortory plasmas with radiation in the hard X-ray wavelength range. For some transitions, significant differences are found with the earlier calculations of Pradhan, Norcross, and Hummer (1981).

Pradhan, A. K.↗
DOE OSTI2026

BMINN: Learning chemical potentials and parameters from voltage data for multi-phase battery modeling

Free-energy landscapes and chemical potentials govern the dynamics of phase transitions, transport, and stability in functional materials, yet they remain experimentally inaccessible under realistic operating conditions. Here we introduce a Bayesian model-integrated neural network (BMINN) that embeds physics-based formulations of non-autonomous partial differential-algebraic equations into probabilistic learning. This approach reconstructs hidden thermodynamics directly from macroscopic current-voltage data, providing quantitative access to metastable states, staging transitions, and energy barriers without synchrotron probes. Demonstrated on lithium-graphite electrodes, BMINN recovers full Gibbs free-energy landscapes with fidelity validated against operando X-ray diffraction. The framework generalizes across dynamical regimes, enabling accurate voltage prediction, internal state estimation, and inference of governing parameters. Beyond batteries, BMINN exemplifies a broadly applicable strategy for learning missing physics in multiphase, non-equilibrium systems, offering a new pathway to uncover hidden thermodynamic functions across condensed matter and materials physics.

25 ENERGY STORAGE↗
DOE OSTI2022

State-selective probing of CO 2 autoionizing inner valence Rydberg states with attosecond extreme ultraviolet four-wave-mixing spectroscopy

Nonlinear spectroscopies can disentangle spectra that are congested due to inhomogeneous broadening. Here, in conjunction with theoretical calculations, attosecond extreme ultraviolet (XUV) four-wave-mixing (FWM) spectroscopy is utilized to probe the dynamics of autoionizing inner valence excited Rydberg states of the polyatomic molecule, CO 2 . This tabletop nonlinear technique employs a short attosecond XUV pulse train and two noncollinear, few-cycle near-infrared pulses to generate background-free XUV wave-mixing signals. FWM emission is observed from the n=5-7 states of the Henning sharp ndσ g Rydberg series that converges to the ionic $\widetilde{B}$ 2 Σ$^{+}_{u}$ state. However, these transient emission signals decay with lifetimes of 33 ± 6, 53 ± 2, and 94 ± 2 fs, respectively, which calculations show are consistent with the lifetimes of the short-lived n=6-8 members of the nsσ g character Henning diffuse Rydberg series. The oscillator strengths of transitions between states involved in all possible resonant FWM processes are calculated, verifying that the nonlinear spectra are dominated by pathways described by an initial excitation to the diffuse nsσ g Rydberg series and emission from the sharp ndσ g Rydberg series. The results substantiate not only that attosecond XUV FWM spectroscopy produces rigorous and meaningful measurements of ultrafast dynamics in polyatomic systems, but also that nonlinear spectroscopic techniques are versatile tools to selectively probe dynamics that are otherwise difficult to access.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

ASSIST user manual

Semi-Markov models can be used to analyze the reliability of virtually any fault-tolerant system. However, the process of delineating all the states and transitions in a complex system model can be devastatingly tedious and error prone. The Abstract Semi-Markov Specification Interface to the SURE Tool (ASSIST) computer program allows the user to describe the semi-Markov model in a high-level language. Instead of listing the individual model states, the user specifies the rules governing the behavior of the system, and these are used to generate the model automatically. A few statements in the abstract language can describe a very large, complex model. Because no assumptions are made about the system being modeled, ASSIST can be used to generate models describing the behavior of any system. The ASSIST program and its input language are described and illustrated by examples.

Johnson, Sally C.↗
DOE OSTI2024

Transitions To Two-Hadron States From Quantum Chromodynamics

The rich spectrum of hadrons reflects the complexity of interactions between the quarks and gluons confined within them. Most of these hadrons are extremely short-lived and are called resonances. Experimentally, they are observed indirectly through their effects on the energy distribution in scattering experiments. Additionally, the non-perturbative nature of Quantum Chromodynamics (QCD), which governs the dynamics of quarks and gluons, prevents the implementation of known analytical techniques for calculating transition and interaction rates between hadrons. Lattice QCD (LQCD), a numerical implementation of QCD, provides a non-perturbative approach to studying the spectrum, as long as we understand how to account for finite-volume and imaginary-time effects in our calculations. In this dissertation, we present two main results. First, the formalism for extracting the elastic form factors of resonances from LQCD, which is necessary to understand their internal structure. Second, we perform the first numerical calculation of a coupled-channel transition, the timelike form factor of the pion, extending into the inelastic region above the kaon-antikaon threshold, as well as its connection to the spacelike region. These developments open the door for future calculations that explore the non-trivial internal structure of QCD resonances.

Gama, Felipe Ortega↗
NASA NTRS2020

GN&C Sequencing for Orion Rendezvous, Proximity Operations, and Docking

As part of the Artemis program to return humans to the lunar surface, the National Aeronautics and Space Administration is planning to use the Orion Multi- Purpose Crew Vehicle to transport crew to a small orbital platform called Gate- way in cislunar space. To facilitate this activity, Orion is required to perform Rendezvous, Proximity Operations, and Docking (RPOD) with both the Gate- way and the launch vehicle upper stage. The Orion spacecraft uses sequencing in the form of Phases, Segments, Activities, and Modes (PSAM) to configure Guidance, Navigation, & Control (GN&C) software during each portion of the mission. Significant updates to Orion PSAM definitions are required for RPOD. This paper describes the process of defining these new sequencing elements, implementing them in prototype flight software, and testing them in an integrated simulation environment. First, requirements are specified to determine the nominal and off-nominal sequencing behavior necessary to complete the mission. These requirements also specify which software functions should be fully autonomous and which functions require manual interactions from crew or ground operators. Next, the RPOD concept of operations is defined with detailed events listed in a mission timeline. Third, a state machine diagram is developed to show all PSAM states, including all possible transitions between them. After this, the PSAM states and transitions are entered into a sequencing software emulator and parameter values and modes are defined for GN&C software elements. Finally, the PSAM architecture is tested within an integrated simulation environment by connecting it with prototypes of relevant GN&C flight software elements and with detailed vehicle models. After the sequencing design has been finalized and tested, it is implemented in flight software.

Schulte, Peter Z.↗
DOE OSTI2021

Rotational Modulation of à 2 A State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions

By examining the product-state distribution of a prototypical non- adiabatic predissociation system, HCO($Ã^2A''–\tilde X^2A'$), we demonstrate here that the dissociation dynamics is strongly modulated by parent rotational quantum numbers. The predissociation of the nominal ($ν_{\text{C–H}} = 0, ν_{\text{bend}}, ν_{\text{C–O}} = 1$) vibronic levels of the $AÃ^2A''$ state surprisingly gives rise to both vibrational ground and excited states of the CO product, despite the assumed spectator nature of the CO moiety. This anomaly is attributed to the dependence of the lifetime of the vibronic resonance facilitated by the Renner–Teller interaction on the parent rotational angular momentum quantum numbers coupled with transient intensity borrowing from nearby vibronic resonances with $ν_{\text{C–O}} = 0$. This unique phenomenon is a purely quantum mechanical behavior that has no classical analogue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modeling Competing Line-broadening Mechanisms in Neutron Star Atmospheres: Interference between Motional Stark and Ion Broadening

Neutron star surfaces have extremely high magnetic fields. In the atmosphere, the broadening of spectral lines will be substantial from the dense plasma as well as from the magnetic field. One broadening mechanism of note is due to the motional Stark effect (MSE)—an additional electric field that arises from the motion of the atom in the magnetic field. However, approximate formulae are often used to construct atmosphere models, and the MSE is assumed to be the dominant line-broadening mechanism even in ions. Detailed pressure-broadening models in these extreme magnetic fields are now currently being developed. In these more detailed models, it was suggested that the MSE may not be as large as previously predicted. If correct, this hypothesis implies that neutron star line widths might be dominated by pressure broadening rather than by motional Stark broadening. We find that, in the absence of plasma perturbations, for typical magnetic fields (B = 10 12 G), mid-Z elements, such as oxygen, have motional Stark widths of order 1 eV for transitions between dipole-allowed transitions from the ground state, though higher temperatures and transitions to higher-energy states are expected to have more broadening. The MSE also breaks down selection rules, giving rise to forbidden transitions, which have much larger widths. When plasma perturbations are included, we find that the plasma perturbation and motional Stark processes are not independent and, as a result, the spectral lines become narrow in a nontrivial way and display harmonics of the ion cyclotron frequency.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Unveiling the parasitic-reaction-driven surface reconstruction in Ni-rich cathode and the electrochemical role of Li 2 CO 3

Nickel-rich transition-metal oxides are widely regarded as promising cathode materials for high-energy-density lithium-ion batteries for emerging electric vehicles. However, achieving high energy density in Ni-rich cathodes is accompanied by substantial safety and cycle-life obstacles. The major issues of Ni-rich cathodes at high working potentials are originated from the unstable cathode-electrolyte interface, while the underlying mechanism of parasitic reactions towards surface reconstructions of cathode materials is not well understood. In this work, we controlled the Li 2 CO 3 impurity content on LiNi 0.83 Mn 0.1 Co 0.07 O 2 cathodes using air, tank-air, and O 2 synthesis environments. Home-built high-precision leakage current and on-line electrochemical mass spectroscopy experiments verify that Li 2 CO 3 impurity is a significant promoter of parasitic reactions on Ni-rich cathodes. The rate of parasitic reactions is strongly correlated to Li 2 CO 3 content and severe performance deterioration of Ni83 cathodes. The post-mortem characterizations via high-resolution transition electron microscope and X-ray photoelectron spectroscopy depth profiles reveal that parasitic reactions promote more Ni reduction and O deficiency and even rock-salt phase transformation at the surface of cathode materials. Here, our observation suggests that surface reconstructions have a strong affiliation to parasitic reactions that create chemically acidic environment to etch away the lattice oxygen and offer the electrical charge to reduce the valence state of transition metal. Thus, this study advances our understanding on surface reconstructions of Ni-rich cathodes and prepares us for searching for rational strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hot and dense quark-gluon plasma thermodynamics from holographic black holes

We present new results on the equation of state and transition line of hot and dense strongly interacting QCD matter, obtained from a bottom-up Einstein-Maxwell-Dilaton holographic model. We considerably expand the previous coverage in baryon densities in this model by implementing new numerical methods to map the holographic black hole solutions onto the QCD phase diagram. We are also able to obtain, for the first time, the first-order phase transition line in a wide region of the phase diagram. Comparisons with the most recent lattice results for the QCD thermodynamics are also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Electrolyte Vapor Induced Passivation and Transition Metal Redox on Electrode Active Materials

The gaseous environment that battery electrodes are exposed to is critical to their electrochemical performance, and yet, the impact of vapor-phase components in the glovebox is relatively unexplored. In this study, we examine how the surface of Li 4 Ti 5 O 12 and LiFePO 4 composite electrodes evolve upon exposure to 1 M LiPF 6 in ethylene carbonate:dimethyl carbonate electrolyte vapors in an argon-filled glovebox. Spatially resolved X-ray photoemission electron microscopy and X-ray photoelectron spectroscopy reveal that even brief (15 minutes) contact with electrolyte vapor initiates the formation of a LiF film and changes the oxidation state of transition metals at the particle surface. Notably, these modifications occur selectively on active material particles and not on binder or conductive carbon, underscoring the specificity of vapor-induced reactions. Prolonged exposure to electrolyte vapor over the course of 1 week yields thicker, more chemically complex interphases containing both LiF and lithium oxyfluorophosphate species (Li x PO y F z ). Subsequent electrochemical testing shows that vapor-induced passivation layers influence first cycle capacities, lithium (de)insertion overpotentials, and charge-transfer resistance values. In conclusion, these results indicate that vapor–electrode interactions may be a source of variability in electrochemical behavior over time and suggest that other, more reactive electrode materials may also be susceptible to interactions with electrolyte vapor.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Advancing Torpor Inducing Transfer Habitats for Human Stasis to Mars: II - Phase

SpaceWorks Enterprises, Inc. (SEI) has conducted an evaluation of an advanced habitat system designed to transportcrews between the Earth and Mars. This new and innovative habitat concept is capable of placing crew members ininactive, torpor states during transit phases of a deep space mission. This substantially reduces the mass and size ofthe habitat, which ultimately leads to significant reductions in the overall architecture size.Our approach for achieving this is based on extending the current and evolving medical practice of TherapeuticHypothermia (TH) - a proven and effective treatment for various traumatic injuries. TH is a medical treatment thatlowers a patient's body temperature by just 5 to 10 degrees Fahrenheit causing human metabolic rate to decreasesignificantly and the body to enter an unconscious state. This method avoids the intractable challenges often associatedwith cell metabolic cessation through cryogenic freezing and other highly speculative approaches.The initial results obtained from the research and analysis conducted in the Phase I effort warranted further study ofthis concept and technology. The specific objectives of the continued work include:1. Addressing critical medical aspects and risks for inducing torpor via Therapeutic Hypothermia and theapproach for providing nutrition and hydration for the crew during torpor. 2. Focusing on mitigation aspects and technology potential for solving key human spaceflight challenges. 3. Addressing critical engineering aspects of the design that may impact the initial performance and cost resultsobtained in Phase I. 4. Examining the broader extensibility and enabling capabilities of this concept through applicability toadditional exploration missions beyond Mars. 5. Establishing a technology development roadmap, addressing both medical and engineering aspects, thatindicate a logical and scientifically achievable path forward for maturation of this technology.

Stasis↗