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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Dynamic Modeling of Ascent Abort Scenarios for Crewed Launches

For the last 30 years, the United States' human space program has been focused on low Earth orbit exploration and operations with the Space Shuttle and International Space Station programs. After over 40 years, the U.S. is again working to return humans beyond Earth orbit. To do so, NASA is developing a new launch vehicle and spacecraft to provide this capability. The launch vehicle is referred to as the Space Launch System (SLS) and the spacecraft is called Orion. The new launch system is being developed with an abort system that will enable the crew to escape launch failures that would otherwise be catastrophic as well as probabilistic design requirements set for probability of loss of crew (LOC) and loss of mission (LOM). In order to optimize the risk associated with designing this new launch system, as well as verifying the associated requirements, NASA has developed a comprehensive Probabilistic Risk Assessment (PRA) of the integrated ascent phase of the mission that includes the launch vehicle, spacecraft and ground launch facilities. Given the dynamic nature of rocket launches and the potential for things to go wrong, developing a PRA to assess the risk can be a very challenging effort. Prior to launch and after the crew has boarded the spacecraft, the risk exposure time can be on the order of three hours. During this time, events may initiate from either the spacecraft, the launch vehicle, or the ground systems, thus requiring an emergency egress from the spacecraft to a safe ground location or a pad abort via the spacecraft's launch abort system. Following launch, again either the spacecraft or the launch vehicle can initiate the need for the crew to abort the mission and return home. Obviously, there are thousands of scenarios whose outcome depends on when the abort is initiated during ascent and how the abort is performed. This includes modeling the risk associated with explosions and benign system failures that require aborting a spacecraft under very dynamic conditions, particularly in the lower atmosphere, and returning the crew home safely. This paper will provide an overview of the PRA model that has been developed of this new launch system, including some of the challenges that are associated with this effort.

Bigler, Mark↗
DOE OSTI2025

Global heliospheric termination shock strength in the solar–interstellar interaction

A heliospheric termination shock (HTS) surrounds our Solar System at approximately 100 astronomical units from the Sun, where the expanding solar wind (SW) is compressed and heated before encountering the interstellar medium. HTS-accelerated particles govern the pressure balance with the interstellar medium, but little is known about the global properties of the HTS beyond in situ measurements from Voyager in only two directions of the sky. Here we fill this gap by extracting the HTS strength using particle-in-cell, test particle and magnetohydrodynamic simulations, constrained by Interstellar Boundary Explorer observations of energetic neutral atoms produced from HTS-accelerated particles. Our results reveal there is a higher compression near the poles during solar minimum compared with solar maximum due to the higher Mach number flow. North–south asymmetries arise from the disparate evolution of the polar coronal holes, while minimum compression near the flanks is probably due to SW slowing from mass loading over a greater distance to the HTS. The results imply a strong connection between the HTS strength and the SW and interstellar medium dynamics.

Astrophysical plasmas↗
NASA NTRS2015

Dynamic Modeling of Ascent Abort Scenarios for Crewed Launches

For the last 30 years, the United States's human space program has been focused on low Earth orbit exploration and operations with the Space Shuttle and International Space Station programs. After nearly 50 years, the U.S. is again working to return humans beyond Earth orbit. To do so, NASA is developing a new launch vehicle and spacecraft to provide this capability. The launch vehicle is referred to as the Space Launch System (SLS) and the spacecraft is called Orion. The new launch system is being developed with an abort system that will enable the crew to escape launch failures that would otherwise be catastrophic as well as probabilistic design requirements set for probability of loss of crew (LOC) and loss of mission (LOM). In order to optimize the risk associated with designing this new launch system, as well as verifying the associated requirements, NASA has developed a comprehensive Probabilistic Risk Assessment (PRA) of the integrated ascent phase of the mission that includes the launch vehicle, spacecraft and ground launch facilities. Given the dynamic nature of rocket launches and the potential for things to go wrong, developing a PRA to assess the risk can be a very challenging effort. Prior to launch and after the crew has boarded the spacecraft, the risk exposure time can be on the order of three hours. During this time, events may initiate from either of the spacecraft, the launch vehicle, or the ground systems, thus requiring an emergency egress from the spacecraft to a safe ground location or a pad abort via the spacecraft's launch abort system. Following launch, again either the spacecraft or the launch vehicle can initiate the need for the crew to abort the mission and return to the home. Obviously, there are thousands of scenarios whose outcome depends on when the abort is initiated during ascent as to how the abort is performed. This includes modeling the risk associated with explosions and benign system failures that require aborting a spacecraft under very dynamic conditions, particularly in the lower atmosphere, and returning the crew home safely. This paper will provide an overview of the PRA model that has been developed of this new launch system, including some of the challenges that are associated with this effort. Key Words: PRA, space launches, human space program, ascent abort, spacecraft, launch vehicles

Bigler, Mark↗
DOE OSTI2022

Estimating the population level impact of a gonococcal vaccine candidate: Predictions from a simple mathematical model

Neisseria gonorrhoeae cross-protection was suggested in a New Zealand meningitis B vaccine. We modeled the potential impact of similar vaccines on gonorrhea prevalence in heterosexuals in the United States. Here, our mathematical model incorporated infection, behavior, and vaccination dynamics. Approximate Bayesian Computation calibrated our model to US prevalence. Primary analyses assumed New Zealand vaccine characteristics: 30% efficacy and 2-year duration of protection. We estimated impact under two vaccine coverages (20%, 50%). Reduction in gonorrhea prevalence ranged from 4.8 to 39.4%, depending on vaccine coverage. Vaccine impact was correlated with both size of the highly sexually active subpopulation and sexual mixing between high and low activity subpopulations. A meningitis vaccine providing low efficacy cross-protection against gonorrhea acquisition and short duration of protection could result in a large reduction in gonorrhea prevalence in the United States. Potential dual protective effects can be considered when making vaccine recommendations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

Over the past decade, there has been a growth of interest in polaritonic chemistry, where the formation of hybrid light–matter states (polaritons) can alter the course of photochemical reactions. These hybrid states are created by strong coupling between molecules and photons in resonant optical cavities and can even occur in the absence of light when the molecule is strongly coupled with the electromagnetic fluctuations of the vacuum field. Here, we present a first-principles model to simulate nonadiabatic dynamics of such polaritonic states inside optical cavities by leveraging graphical processing units (GPUs). Our first implementation of this model is specialized for a single molecule coupled to a single-photon mode confined inside the optical cavity but with any number of excited states computed using complete active space configuration interaction (CASCI) and a Jaynes–Cummings-type Hamiltonian. Using this model, we have simulated the excited-state dynamics of a single salicylideneaniline (SA) molecule strongly coupled to a cavity photon with the ab initio multiple spawning (AIMS) method. We demonstrate how the branching ratios of the photodeactivation pathways for this molecule can be manipulated by coupling to the cavity. We also show how one can stop the photoreaction from happening inside of an optical cavity. Finally, we also investigate cavity-based control of the ordering of two excited states (one optically bright and the other optically dark) inside a cavity for a set of molecules, where the dark and bright states are close in energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Two-component dynamics in supercritical $\text {CO}_2$ from inelastic X-ray scattering

Supercritical fluids are characterized by unique thermodynamic properties. One of these properties is the existence of two-component dynamics that is associated with distinct low-frequency and high-frequency vibrational responses of the fluid. However, the origin of this behavior remains unknown. By combining inelastic X-ray scattering and molecular dynamics simulations, we show that this behavior can be connected to density heterogeneities arising from molecular clusters. Analyses of measurements and molecular trajectories suggest that the two-component dynamics emerges due to distinct momentum fluctuations of clustered and unbound molecules. This connection between clusters and two-component dynamics highlights the importance of molecular-structural heterogeneities in supercritical fluids, colloids, and condensed-matter systems.

biophysics↗
DOE OSTI2026

Quantum control of Hubbard excitons

Quantum control of the many-body wavefunction is a central challenge in quantum materials research, as it could yield a precise control knob to manipulate emergent phenomena. Floquet engineering, the coherent dressing of quantum states with periodic non-resonant optical fields, has become an important strategy for quantum control. Most applications to solid-state systems have targeted weakly interacting or single-ion states, leaving the manipulation of many-body wavefunctions largely unexplored. Here, in this work, we use Floquet engineering to achieve quantum control of a strongly correlated Hubbard exciton in the one-dimensional Mott insulator Sr 2 CuO 3 . A nonresonant midinfrared optical field coherently dresses the exciton wavefunction, driving its rotation between bright and dark states. We use resonant third-harmonic generation to quantify ultrafast π/2 rotations on the Bloch sphere spanned by these exciton states. Our work advances the quest towards programmable control of correlated states and exciton-based quantum sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Crystalline Peptoid Nanofibers with a Single-Unit Cell Cross Section

Ultranarrow crystalline one-dimensional nanostructures formed from soft materials facilitate precise structural control in nanomaterial design, which is essential for biomedicine and nanotechnology applications. Systematic control of their hierarchical structure is challenging due to the complexities of simultaneously manipulating multiple noncovalent interactions at such small scales. We employed a polypeptoid crystal motif as a supramolecular synthon to engineer ultranarrow crystalline nanofibers constrained to a single lattice axis by incorporating a single ionizable side chain into the hydrophobic core of a nanosheet-forming peptoid. Cryogenic transmission electron microscopy of the nanofibers revealed detailed molecular arrangements of a unit-cell cross-section and the presence of distinct pH-dependent lattice isoforms that resulted in morphological transformations. Molecular dynamics simulations demonstrated that the ionizable side chain plays a critical role in changing the local conformation of the unit cell, which further impacts the dimensionality of hierarchical structures. Moreover, these fibers were readily functionalized with biological ligands to afford one-dimensional (1D) protein arrays. This approach for the high-precision bottom-up assembly of ultranarrow 1D nanostructures offers significant potential for developing novel biomimetic nanostructures.

Lee, Yen Jea↗
DOE OSTI2025

Lectures on statistical mechanics

Presented here is a transcription of the lecture notes from Professor Allan N. Kaufman’s graduate statistical mechanics course Physics 212A and 212B at the University of California Berkeley from the 1972–1973 academic year. 212A addressed equilibrium statistical mechanics with topics: fundamentals (micro-canonical and sub-canonical ensembles, adiabatic law and action conservation, fluctuations, pressure, and virial theorem), classical fluids and other systems (equation of state, deviations from ideality, virial coefficients and van der Waals potential, canonical ensemble and partition function, quasistatic evolution, grand-canonical ensemble and partition function, chemical potential, simple model of a phase transition, quantum virial expansion, numerical simulation of equations of state, and phase transition), chemical equilibrium (systems with multiple species and chemical reactions, law of mass action, Saha equation, chemical equilibrium including ionization and excited states), and long-range interactions (including Coulomb, dipole, and gravitational interactions, Debye–Hückel theory, and shielding). 212B addressed nonequilibrium statistical mechanics with topics: fundamentals (definitions: realizations, moments, characteristic function, and discrete variables), Brownian motion (Langevin equation, fluctuation–dissipation theorem, spatial diffusion, Boltzmann’s H-theorem), Liouville and Klimontovich equations, Landau equation (derivation, elaboration, and H-theorem, and irreversibility), Markov processes and Fokker–Planck equation (derivations of the Fokker–Planck equation and a master equation), linear response and transport theory (linear Boltzmann equation, linear response theory of Kubo and Mori, relation of entropy production to electrical conductivity, transport relations and coefficients, normal mode solutions of the transport equations, sketch of a generalized Langevin equation method for transport theory), and an introduction to nonequilibrium quantum statistical mechanics.

plasma dynamics↗
DOE OSTI2025

Image masks of global ship tracks for NASA MODIS data products

Ship tracks, long thin artificial cloud features formed from the pollutants in ship exhaust, are satellite-observable examples of aerosol-cloud interactions (ACI) that can lead to increased cloud albedo and thus increased solar reflectivity, phenomena of interest in solar radiation management. In addition to ship tracks being of interest to meteorologists and policy makers, their observed cloud perturbations provide benchmark evidence of ACI that remain poorly captured by climate models. To broadly analyze the effects of ship tracks, high-resolution satellite imagery data highlighting their presence are required. To support this, we provide a hand labelled dataset to serve as a benchmark for a variety of subsequent analyses. Established from a previous dataset that identified ship track presence using NASA’s MODIS Aqua satellite imager, our first-of-its-kind dataset is comprised of image masks: capturing full ship track regions, including their contours, emission points and dispersive patterns. In total, 300 images, or around 2,500 masked ship tracks, observed under varying conditions are provided, and may facilitate training of machine learning algorithms to automate extraction.

Atmospheric dynamics↗
DOE OSTI2025

Terrestrial atmospheric ion implantation occurred in the nearside lunar regolith during the history of Earth’s dynamo

Light volatile elements in lunar regolith are thought to be a mixture of the solar wind and Earth’s atmosphere, the latter sourced in the absence of geomagnetic field. However, the extent to which both the current and primitive geodynamo influence the transport of terres trial ions still remains unclear, and this uncertainty is further complicated by the enigmatic composition and poorly constrained location of the Eoarchean exosphere. Here we use 3-D MHD numerical simulations with contemporary magnetized and Archean unmagnetized atmospheres to investigate how Earth’s intrinsic magnetic field affects this transfer, aiming to constrain how and when the lunar isotopic signature provides a record of Earth’s pale-oatmosphere. We find that atmospheric transfer is efficient only when the Moon is within Earth’s magnetotail. The non-solar contribution to the lunar soil is best explained by implantation during the long history of the geodynamo with present-day solar wind conditions, rather than any short, putatively unmagnetized epoch of early Archean Earth. This further suggests the history of the terrestrial atmosphere, spanning billions of years, could be preserved in buried lunar soils. Our results indicate that the elemental abundances of Apollo samples are very sensitive to Earth’s hydrodynamic exobase altitude, which, at the time of ion implantation, was never smaller than 190 km.

Atmospheric dynamics↗
DOE OSTI2025

Exploring the interplay between distributed wind generators and solar photovoltaic systems

This study investigates the spatial and temporal dynamics of wind and solar energy generation across the continental United States, focusing on energy availability, reliability, variability, and cooperation. Using data from the National Renewable Energy Laboratory, we analyze the performance of wind turbines and photovoltaic systems, revealing distinct patterns in energy production and reliability. The classification of wind and solar zones based on energy availability and reliability provides valuable insights for renewable energy planning and grid integration strategies. Overall, this methodology contributes to understanding wind and solar interactions, which will lead to informing effective renewable energy deployment and grid integration efforts.

14 SOLAR ENERGY↗
DOE OSTI2025

Analytical models for the enhancement of fusion reactivity by turbulence

The reactivity of fusion plasma depends not only on its local density and temperature but also, through a recently identified kinetic effect, on the relative velocities of nearby fluid elements. Turbulence on fine spatial scales, therefore, enhances fusion reactivity. The enhancement is quantified here for general subsonic turbulent flows. Leveraging this effect in the design of inertial confinement fusion experiments could enable substantial energy savings.

Fluid dynamics↗
DOE OSTI2026

Reverse phonon thermal flux from an applied electric field

In the phenomenon known as electron drag, a phonon thermal flux is established in a conducting crystal by an electric field applied under isothermal conditions through directed transfer of quasimomentum from the electronic charge current to the phonon subsystem. Prior understanding of this phenomenon involves a thermal current composed of low-frequency acoustic phonons that is in the same direction as the charge current. This results in an increase of the Peltier thermopower. Here, we show that it is also possible to establish a phonon thermal current that is in the opposite direction to the charge current, which we refer to as a reverse phonon thermal flux. We demonstrate this behavior both through a simple qualitative model and through first-principles calculations performed for three materials: p-type 𝜃-TaN, n-type BAs, and n-type Si. The reverse phonon flux is shown to arise through intervalley electron-phonon scattering processes involving high-frequency acoustic phonons. Unlike n-BAs and n-Si, the combined features in the band structure and phonon dispersions of p-type 𝜃-TaN promote a particularly large reverse phonon thermal flux comparable in magnitude to the oppositely directed thermal flux from low-frequency phonons. Finally, this work highlights a previously unrecognized behavior in the coupled electron-phonon system and advances our understanding of the rich physics of transport in solids.

lattice dynamics↗
DOE OSTI2026

Startup regime of high-efficiency tapering-enhanced FEL oscillator

In this paper, we present a design of a high-efficiency high-gain free-electron laser oscillator based on the use of a strongly tapered undulator for extracting energy from high-brightness electron beams. We provide an analytical model of the setup followed by numerical simulations for lasing at the wavelength of 13.5 nm. We discuss the optimization of the system in steady state and the conditions necessary for the pass-per-pass buildup of the power from shot noise level. We propose the use of fast phase shifters as a way to accelerate the buildup. Finally, we present time-dependent simulations of the oscillator and discuss the role of spectral filtering. The optimized working point yields a total energy conversion efficiency from the electron beam to output radiation above 1% at the wavelength of 13.5 nm.

Beam dynamics↗
DOE OSTI2025

Efficient Streaming Dynamic Mode Decomposition

We propose a reformulation of the streaming dynamic mode decomposition method that requires maintaining a single orthonormal basis, thereby reducing computational redundancy. The proposed efficient streaming dynamic mode decomposition method results in a constant-factor reduction in computational complexity and memory storage requirements. Numerical experiments on representative canonical dynamical systems show that the enhanced computational efficiency does not compromise the accuracy of the proposed method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

JAXtronomy: A JAX port of lenstronomy

Gravitational lensing is a phenomenon where light bends around massive objects, resulting in distorted images seen by an observer. Studying gravitationally lensed systems provides insights into cosmology and astrophysics, including constraints of the expansion rate of the Universe and the distribution of dark matter. Thus, we introduce JAXtronomy, a re-implementation of the gravitational lensing software package lenstronomy (Birrer, 2021; Birrer & Amara, 2018) using JAX (Bradbury et al., 2018). JAX is a Python library that uses an accelerated linear algebra (XLA) compiler to improve the performance of computing software. Our core design principle of JAXtronomy is to maintain an identical API to that of lenstronomy. The main JAX features utilized in JAXtronomy are just-in-time compilation, which can lead to significant reductions in execution time, and automatic differentiation, which allows for the implementation of gradient-based algorithms that were previously impossible. Additionally, JAX allows code to be run on GPUs or parallelized across CPU cores, further boosting the performance of JAXtronomy.

astronomy↗
DOE OSTI2023

Fuel Flow Modeling under Thermal Fluidics Considerations within Operational Domains of Molten Salt Reactors

Molten Salt Reactors (MSRs) offer significant versatility supported by their design flexibility and safety advantages due to high temperatures, design customization capabilities, strong negative reactivity feedback effects, and salt chemistry characteristics. Different control schedules and different mass flow rates in the MSR primary systems impact neutronics and thermal hydraulics coupling. The result is two-fold. First, it leads to adaptability in various applications when the customization of a MSR unit is desired. Second, it calls for the quantification of dynamics and safety characteristics to assess the operational domain and make sure reactor stability and inherent safety characteristics are maintained. This paper provides an in-depth transient analysis of the operational implications of MSRs having heat-generating fuel and heat-transporting salt mixed forming liquid fuel salts contained within primary systems. A coupling model was developed to simulate fuel flow in molten salt reactors. A zero-dimensional reactor kinetics model was used with a one-dimensional heat transfer model in the reactor core. The temperature reactivity feedbacks of the fuel salt resulting from the thermal-hydraulics model were used in the reactor kinetics model to complete the coupled code. The model was applied to simulate the Molten Salt Breeder Reactor (MSBR) response at steady state and transients. The developed model was shown to be a suitable tool for the dynamic analysis of molten salt reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗