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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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388 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Space Launch System and Missions to Near Rectilinear Halo Orbits

The first major evolution of NASA’s Space Launch System (SLS) will begin its flights starting in the mid-2020’s. This new configuration, called Block 1B, replaces the Interim Cryogenic Propulsion Stage with a larger Exploration Upper Stage (EUS). The additional capability provided by the new upper stage will allow SLS to send heavier payloads into deep space. One destination of interest to the SLS program is called a Near Rectilinear Halo Orbit (NRHO). This is a type of lunar orbit with multiple advantages for deep space exploration. These benefits include Earth/lunar access, low station-keeping requirements, and high communication potential with Earth. Therefore, it is a leading candidate for the proposed Lunar Orbital Platform-Gateway (LOP-G). This paper will provide a detailed assessment of the SLS Block 1B requirements and capabilities for sending payloads to an NRHO. Analysts at Marshall Space Flight Center are producing a multi-year mission availability scan for the SLS Block 1B configuration to a predefined NRHO orbit. The analysis produces an optimized trajectory for each day of the scan window. A maximized payload and minimized propellant requirement are determined for each day. All maneuvers from launch to the end of the Trans-Lunar-Injection (TLI) are being modeled as finite burns. Injections into an NRHO are being modeled as impulsive maneuvers. The payload element is arbitrary, but includes sufficient mass to represent a large habitat or propulsion module. The resulting parameters of payload capability, delta-v requirements, and launch windows length vary over the course of the scan. Many launch days in the scan are eliminated in post-processing as they violate mission constraints such as payload mass and propellant usage to insert into an NRHO. Based off previous one-year scan results for the SLS Block 1B Design Analysis Cycle 2 (DAC-2), it is expected that there will be one to three days per week where the payload is able to insert into an NRHO within SLS constraints objectives. This scan provides results for longer than one-year, allowing analysts to better understand the launch availability and energy requirements of SLS Block 1B over time. The in-space mission design and scans utilize Copernicus, an n-body trajectory optimization tool originally developed out of the University of Texas at Austin with further development at Johnson Space Center in Houston, TX. To seed the in-space trajectory, Copernicus uses a plugin to call a database of SLS ascent trajectories optimized in the Program to Simulate Optimized Trajectories II (POST2). The ascent trajectories are developed using a framework that parametrizes payload mass and LEO inclination, and targets a 100 nmi (nautical mile) altitude circular parking orbit. Though this analysis is specific to the SLS program, it will provide a summary of mission design benefits and constraints associated with generic NRHO access, and may be applied to other programs or concepts that will utilize this orbit.

Statham, T. L.↗
NASA NTRS1989

Collisional dynamics of perturbed particle disks in the solar system

Theoretical and computational studies were carried out on galactic and planetary disks. With the goal of addressing important open questions centered on galactic structure, the cloudy interstellar medium, giant molecular clouds, and star formation in galactic disks and the collisional dynamics of perturbed particulate matter in planetary disks, focus was largely on the self-gravitational effects, dissipative effects, and collisional dynamics of cloud-particle disks. N-body, 'cloud-particle' computational algorithms were developed for the purpose of isolating the role of gaseous self gravity from the roles of other dominant physical mechanisms and dynamical processes, e.g. the collisional dynamics and dissipative processes. The efforts focused largely on galactic disks show that observational constraints provide stringent tests of the numerical simulation techniques developed. Self gravitational effects of the galactic interstellar medium's gas clouds are included by means of Fourier Transform technique.

Roberts, William W., Jr.↗
DOE OSTI2022

Piecewise interaction picture density matrix quantum Monte Carlo

The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact N-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC (IP-DMQMC) method that overcomes the limitation of only sampling one inverse temperature point at a time, instead allowing for the sampling of a temperature range within a single calculation, thereby reducing the computational cost. At the target inverse temperature, instead of ending the simulation, we incorporate a change of picture away from the interaction picture. The resulting equations of motion have piecewise functions and use the interaction picture in the first phase of a simulation, followed by the application of the Bloch equation once the target inverse temperature is reached. We find that the performance of this method is similar to or better than the DMQMC and IP-DMQMC algorithms in a variety of molecular test systems.

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

Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes

Complex mechanisms regulate the cellular distribution of cholesterol, a critical component of eukaryote membranes involved in regulation of membrane protein functions directly and through the physiochemical properties of membranes. StarD4, a member of the steroidogenic acute regulator-related lipid-transfer (StART) domain (StARD)-containing protein family, is a highly efficient sterol-specific transfer protein involved in cholesterol homeostasis. Its mechanism of cargo loading and release remains unknown despite recent insights into the key role of phosphatidylinositol phosphates in modulating its interactions with target membranes. We have used large-scale atomistic Molecular dynamics (MD) simulations to study how the dynamics of cholesterol bound to the StarD4 protein can affect interaction with target membranes, and cargo delivery. We identify the two major cholesterol (CHL) binding modes in the hydrophobic pocket of StarD4, one near S136&S147 (the Ser-mode), and another closer to the putative release gate located near W171, R92&Y117 (the Trp-mode). We show that conformational changes of StarD4 associated directly with the transition between these binding modes facilitate the opening of the gate. To understand the dynamics of this connection we apply a machine-learning algorithm for the detection of rare events in MD trajectories (RED), which reveals the structural motifs involved in the opening of a front gate and a back corridor in the StarD4 structure occurring together with the spontaneous transition of CHL from the Ser-mode of binding to the Trp-mode. Further analysis of MD trajectory data with the information-theory based NbIT method reveals the allosteric network connecting the CHL binding site to the functionally important structural components of the gate and corridor. Mutations of residues in the allosteric network are shown to affect the performance of the allosteric connection. These findings outline an allosteric mechanism which prepares the CHL-bound StarD4 to release and deliver the cargo when it is bound to the target membrane.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Relaxation time in disk galaxy simulations.

An initially stationary and stable axisymmetric disk of stars with a mass spectrum of stars is used to determine the collisional relaxation time. The relaxation time as determined from the rate of energy equipartition was found to be 560 rotation periods for stars with 10 times the mean star mass and was 1700 rotation periods for stars with 0.55 times the mean star mass. These times are in general agreement with theoretical predictions for the relaxation time of the two mass groups. The results show that the model used for the large-scale gravitational N-body calculations is indeed 'collisionless.'

Hohl, F.↗
NASA NTRS1989

On the generation of a bubbly universe - A quantitative assessment of the CfA slice

A first attempt is made to calculate the properties of the matter distribution in a universe filled with overlapping bubbles produced by multiple explosions. Each spherical shell follows the cosmological Sedov-Taylor solution until it encounters another shell. Thereafter, mergers are allowed to occur in pairs on the basis of N-body results. At the final epoch, the matrix of overlapping shells is populated with 'galaxies' and the properties of slices through the numerically constructed cube compare well with CfA survey results for specified initial conditions. A statistic is found which measures the distance distribution from uniformly distributed points to the nearest galaxies on the projected plane which appears to provide a good measure of the bubbly character of the galaxy distribution. In a quantitative analysis of the CfA 'slice of the universe', a very good match is found between simulation and the real data for final average bubble radii of (13.5 + or - 1.5)/h Mpc with formal filling factor 1.0-1.5 or actual filling factor of 65-80 percent.

Ostriker, J. P.↗
DOE OSTI2024

The phase space distance between collider events

How can one fully harness the power of physics encoded in relativistic N-body phase space? Topologically, phase space is isomorphic to the product space of a simplex and a hypersphere and can be equipped with explicit coordinates and a Riemannian metric. This natural structure that scaffolds the space on which all collider physics events live opens up new directions for machine learning applications and implementation. Here we present a detailed construction of the phase space manifold and its differential line element, identifying particle ordering prescriptions that ensure that the metric satisfies necessary properties. We apply the phase space metric to several binary classification tasks, including discrimination of high-multiplicity resonance decays or boosted hadronic decays of electroweak bosons from QCD processes, and demonstrate powerful performance on simulated data. Our work demonstrates the many benefits of promoting phase space from merely a background on which calculations take place to being geometrically entwined with a theory’s dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

The DECam MAGIC Survey: Uncovering the Tidal Tails of the Crater II Dwarf Galaxy

Crater II (CraII), a large and low-density dwarf spheroidal galaxy, has unusual observed properties that are difficult to reproduce in cold dark matter simulations. Ongoing tidal disruption may help explain the discrepancies, as evidenced by the recent discovery of tidal tails. Here we present metallicity-sensitive narrowband photometry of the Ca II H and K lines from the Dark Energy Camera, covering 128 deg$^{2}$ across the center and identified tidal tails of CraII as part of the Mapping the Ancient Galaxy in CaHK survey. Our combined photometric metallicity, color–magnitude, proper motion, and parallax selections identify 162 CraII candidates. Of these, 37 candidates are located in the tidal tails, which extend at least 7° (∼95 kpc) from the center of CraII, suggesting it has lost ≳25% of its initial stellar mass. We confirm low contamination rates with dedicated control fields and highlight the extremely low surface brightness stellar features that can be uncovered with CaHK data, as faint as ∼36 mag arcsec$^{−2}$. We also make the first detection of a metallicity gradient (−0.34 ± 0.17 dex deg$^{−1}$) in the center of the galaxy and infer a stream width of w ∼ 0.°8, roughly 50% larger than the CraII half-light radius. The detection of candidates in the most distant CraII pointings from its center implies that the tidal tails extend beyond our footprint. We compare the CraII stream to N-body models with “cored” and “cuspy” dark matter halo progenitors, determining that CraII’s density profile is still ambiguous and warrants further modeling.

Atzberger, Kaia R. [Virginia U., Astron. Dept.] (O↗
DOE OSTI2024

Determining the N -Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body reduced density matrix (p-RDM). The knowledge of all necessary and sufficient conditions for a p-body matrix to be N-representable allows the constrained minimization of a many-body Hamiltonian expectation value with respect to the p-body density matrix and, thus, the determination of its exact ground state. However, the number of constraints that complete the N-representability conditions grows exponentially with system size, and hence, the procedure quickly becomes intractable for practical applications. This work introduces a hybrid quantum-stochastic algorithm to effectively replace the N-representability conditions. The algorithm consists of applying to an initial N-body density matrix a sequence of unitary evolution operators constructed from a stochastic process that successively approaches the reduced state of the density matrix on a p-body subsystem, represented by a p-RDM, to a target p-body matrix, potentially a p-RDM. The generators of the evolution operators follow the well-known adaptive derivative-assembled pseudo-Trotter method (ADAPT), while the stochastic component is implemented by using a simulated annealing process. The resulting algorithm is independent of any underlying Hamiltonian, and it can be used to decide whether a given p-body matrix is N-representable, establishing a criterion to determine its quality and correcting it. We apply the proposed hybrid ADAPT algorithm to alleged reduced density matrices from a quantum chemistry electronic Hamiltonian, from the reduced Bardeen–Cooper–Schrieffer model with constant pairing, and from the Heisenberg XXZ spin model. In all cases, the proposed method behaves as expected for 1-RDMs and 2-RDMs, evolving the initial matrices toward different targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Tycho: Realistically Simulating Exoplanets within Stellar Clusters. I. Improving the Monte Carlo Approach

To fully understand the diverse population of exoplanets, we must study their early lives within open clusters, the birthplace of most stars with masses >0.5M {sub ⊙} (including those currently in the field). Indeed, when we observe planets within clustered environments, we notice highly eccentric and odd systems that suggest the importance of dynamical pathways created by interactions with additional bodies (as in the case of HD 285507b). However, it has proven difficult to investigate these effects, as many current numerical solvers for the multi-scale N-body problem are simplified and limited in scope. To remedy this, we aim to create a physically complete computational solution to explore the role of stellar close encounters and interplanetary interactions in producing the observed exoplanet populations for both open cluster stars and field stars. We present a new code, Tycho, which employs a variety of different computational techniques, including multiple N-body integration methods, close encounter handling, modified Monte Carlo scattering experiments, and a variety of empirically informed initial conditions. We discuss the methodology in detail, and its implementation within the AMUSE software framework. Approximately 1% of our systems are promptly disrupted by star-star encounters contributing to the rogue planets occurrence rate. Additionally, we find that close encounters which that perturb long-period planets lead to 38.3% of solar-system-like planetary systems becoming long-term unstable.

79 ASTRONOMY AND ASTROPHYSICS↗