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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Preliminary study of auto-differentiation algorithm in beam dynamics with stochastic process

Modern particle accelerator optimization requires sophisticated computational methods to address the inherently stochastic nature of beam dynamics. This research develops a framework applying AD to SDEs that specifically addresses beam dynamics challenges in particle accelerators, focusing on accurately modeling and optimizing beam behavior in regimes dominated by stochastic processes. By incorporating key physical phenomena such as synchrotron radiation, wakefield effects, and quantum excitation, the framework aims to provide auto differentiation on the figure of merit of the phase space evolution and beam dynamics. The methodology will enable effective optimization method in a dynamic system with stochastic process.

Accelerator Physics↗
NASA NTRS1972

Space Shuttle Atmospheric ascent flight dynamics

The atmospheric ascent flight phase of the mated composite booster and orbiter is discussed. The composite recoverable space shuttle booster and orbiter exhibits unique flight control characteristics. This uniqueness results from large lifting surfaces and aerodynamic and structural assymetrics. An effective load relief technique reduces aerodynamic loads on both the booster and the orbiter. Reducing aerodynamic loads permits decreasing the structural weight of the lifting and stabilizing surfaces. An orbiter payload penalty is caused by trajectory deviations resulting from load relief. However, the net effect of an effective load relief technique is an increase in payload capability. Atmospheric launch dynamics investigations have been carried out for different configuration types, which include expendable, straight wing, delta wing, and ballistic recoverable boosters.

Patha, J. T.↗
NASA NTRS1989

On trajectory generation for flexible space crane: Inverse dynamics analysis by LATDYN

For future in-space construction facility, one or more space cranes capable of manipulating and positioning large and massive spacecraft components will be needed. Inverse dynamics was extensively studied as a basis for trajectory generation and control of robot manipulators. The focus here is on trajectory generation in the gross-motion phase of space crane operation. Inverse dynamics of the flexible crane body is much more complex and intricate as compared with rigid robot link. To model and solve the space crane's inverse dynamics problem, LATDYN program which employs a three-dimensional finite element formulation for the multibody truss-type structures will be used. The formulation is oriented toward a joint dominated structure which is suitable for the proposed space crane concept. To track a planned trajectory, procedures will be developed to obtain the actuation profile and dynamics envelope which are pertinent to the design and performance requirements of the space crane concept.

Chen, G.-S.↗
NASA NTRS1996

Why HOC+ is detectable in interstellar clouds: the rate of the reaction between HOC+ and H2

The recent confirmation by Ziurys and Apponi of the detection of HOC+ toward Sgr B2 (OH), and their identification of the ion in Orion-KL and several other sources show that HOC+ is far more abundant than predicted by previous ion-molecule models. In these models, the reaction HOC(+) + H2 --> HCO(+) + H2 is assumed to rapidly destroy HOC+, based on the results of a prior calculation. We have recalculated the rate of this reaction as a function of temperature using a new ab initio potential surface and a phase space approach to the dynamics which includes tunneling. The newly calculated rate is small (< or = 1 x 10(-10) cm3 s-1) at temperatures under 100 K.

Non-NASA Center↗
NASA NTRS1987

Phase-space-Lagrangian action principle and the generalized K-X theorem

The covariant coupled equations for plasma dynamics and the Maxwell field are expressed as a phase-space-Lagrangian action principle. The linear interaction is transformed to the bilinear beat Hamiltonian by a gauge-invariant Lagrangian Lie transform. The result yields the generalized linear susceptibility directly.

Kaufman, Allan N.↗
NASA NTRSDate not supplied

Gas Phase Effects on Slosh Dynamics

Gas phase effects on slosh dynamics were quantified using computational fluid dynamics (CFD) simulation for a range of propellant and ullage gas combinations. Historical slosh modeling using potential flow solutions typically neglects gas phase effects. Regardless, the results have been shown to compare well with slosh ground tests typically performed with water and air at standard temperature and pressure. CFD analysis reveals that as the liquid-to-gas density ratio decreases, slosh dynamics change due to the relative increase in gas inertia and thus influence on liquid motion. The result is a profound impact on slosh dynamics over certain parameter spaces particularly for liquid hydrogen. Gas phase effects on slosh dynamics should be considered in slosh models especially for liquid hydrogen propellant tanks.

Jacob M Brodnick↗
NASA NTRSDate not supplied

Gas Phase Effects on Slosh Dynamics

Gas phase effects on slosh dynamics were quantified using computational fluid dynamics (CFD) simulation for a range of propellant and gas combinations. Historical slosh modeling using potential flow solutions typically neglects gas phase effects. Regardless, the results have been shown to compare well with slosh ground tests typically performed with water and air at standard temperature and pressure. CFD analysis reveals that as the liquid-to-gas density ratio decreases, slosh dynamics change due to the relative increase in gas inertia and thus influence on liquid motion. The result is a profound impact on slosh dynamics over certain parameter spaces particularly for liquid hydrogen. Gas phase effects on slosh dynamics should be considered in slosh models especially for liquid hydrogen propellant tanks.

Jacob M Brodnick↗
NASA NTRSDate not supplied

Gas Phase Effects on Slosh Dynamics

Gas phase effects on slosh dynamics were quantified using computational fluid dynamics (CFD) simulation for a range of propellant and gas combinations. Historical slosh modeling using potential flow solutions typically neglects gas phase effects. Regardless, the results have been shown to compare well with slosh ground tests typically performed with water and air at standard temperature and pressure. CFD analysis reveals that as the liquid-to-gas density ratio decreases, slosh dynamics change due to the relative increase in gas inertia and thus influence on liquid motion. The result is a profound impact on slosh dynamics over certain parameter spaces particularly for liquid hydrogen. Gas phase effects on slosh dynamics should be considered in slosh models especially for liquid hydrogen propellant tanks.

Jacob M Brodnick↗
NASA NTRS1996

Design of a Subscale Propellant Slag Evaluation Motor Using Two-Phase Fluid Dynamic Analysis

Small pressure perturbations in the Space Shuttle Reusable Solid Rocket Motor (RSRM) are caused by the periodic expulsion of molten aluminum oxide slag from a pool that collects in the aft end of the motor around the submerged nozzle nose during the last half of motor operation. It is suspected that some motors produce more slag than others due to differences in aluminum oxide agglomerate particle sizes that may relate to subtle differences in propellant ingredient characteristics such as particle size distributions or processing variations. A subscale motor experiment was designed to determine the effect of propellant ingredient characteristics on the propensity for slag production. An existing 5 inch ballistic test motor was selected as the basic test vehicle. The standard converging/diverging nozzle was replaced with a submerged nose nozzle design to provide a positive trap for the slag that would increase the measured slag weights. Two-phase fluid dynamic analyses were performed to develop a nozzle nose design that maintained similitude in major flow field features with the full scale RSRM. The 5 inch motor was spun about its longitudinal axis to further enhance slag collection and retention. Two-phase flow analysis was used to select an appropriate spin rate along with other considerations, such as avoiding bum rate increases due to radial acceleration effects. Aluminum oxide particle distributions used in the flow analyses were measured in a quench bomb for RSRM type propellants with minor variations in ingredient characteristics. Detailed predictions for slag accumulation weights during motor bum compared favorably with slag weight data taken from defined zones in the subscale motor and nozzle. The use of two-phase flow analysis proved successful in gauging the viability of the experimental program during the planning phase and in guiding the design of the critical submerged nose nozzle.

Whitesides, R. Harold↗
NASA NTRS1993

Neurodynamics With Spatial Self-Organization

Report presents theoretical study of dynamics of neural network organizing own response in both phase space and in position space. Postulates several mathematical models of dynamics including spatial derivatives representing local interconnections among neurons. Shows how neural responses propagate via these interconnections and how spatial pattern of neural responses formed in homogeneous biological neural network.

Zak, Michail A.↗
NASA NTRS2010

Suited Occupant Injury Potential During Dynamic Spacecraft Flight Phases

In support of the Constellation Space Suit Element [CSSE], a new space-suit architecture will be created for support of Launch, Entry, Abort, Microgravity Extra- Vehicular Activity [EVA], and post-landing crew operations, safety and, under emergency conditions, survival. The space suit is unique in comparison to previous launch, entry, and abort [LEA] suit architectures in that it utilizes rigid mobility elements in the scye (i.e., shoulder) and the upper arm regions. The suit architecture also utilizes rigid thigh disconnect elements to create a quick disconnect approximately located above the knee. This feature allows commonality of the lower portion of the suit (from the thigh disconnect down), making the lower legs common across two suit configurations. This suit must interface with the Orion vehicle seat subsystem, which includes seat components, lateral supports, and restraints. Due to the unique configuration of spacesuit mobility elements, combined with the need to provide occupant protection during dynamic vehicle events, risks have been identified with potential injury due to the suit characteristics described above. To address the risk concerns, a test series has been developed in coordination with the Injury Biomechanics Research Laboratory [IBRL] to evaluate the likelihood and consequences of these potential issues. Testing includes use of Anthropomorphic Test Devices [ATDs; vernacularly referred to as "crash test dummies"], Post Mortem Human Subjects [PMHS], and representative seat/suit hardware in combination with high linear acceleration events. The ensuing treatment focuses on test purpose and objectives; test hardware, facility, and setup; and preliminary results.

Dub, Mark O.↗
DOE OSTI2025

EMPDF : inferring the Milky Way mass with data-driven distribution function in phase space

We introduce the emPDF (empirical distribution function), a novel dynamical modelling method that infers the gravitational potential from kinematic tracers with optimal statistical efficiency under the minimal assumption of steady state. emPDF determines the best-fitting potential by maximizing the similarity between instantaneous kinematics and the time-averaged phase-space distribution function (DF), which is empirically constructed from observation upon the theoretical foundation of oPDF (Han et al. 2016). This approach eliminates the need for presumed functional forms of DFs or orbit libraries required by conventional DF- or orbit-based methods. emPDF stands out for its flexibility, efficiency, and capability in handling observational effects, making it preferable to the popular Jeans equation or other minimal assumption methods, especially for the Milky Way (MW) outer halo where tracers often have limited sample size and poor data quality. We apply emPDF to infer the MW mass profile using Gaia DR3 data of satellite galaxies and globular clusters, obtaining enclosed masses of M (,r) = 26±8, 46±8, 90±13⁠, and 149±40 x 10 10 M ⊙ at r = 30, 50, 100⁠, and 200 kpc, respectively. These are consistent with the updated constraints from simulation-informed DF fitting (Li et al. 2020). While the simulation-informed DF offers superior precision owing to the additional information extracted from simulations, emPDF is independent of such supplementary knowledge and applicable to general tracer populations. emPDF is currently implemented for tracers with complete 6D kinematics within spherical potentials, but it can potentially be extended to address more general problems.

Astrophysics of Galaxies (astro-ph.GA)↗
NASA NTRS1991

Experiments with phase change thermal energy storage canisters for Space Station Freedom

The solar dynamic power module proposed for the Space Station Freedom (SSF) uses the heat of fusion of a phase change material (PCM) to efficiently store thermal energy for use during eclipse periods. The PCM, a LiF-20CaF2 salt, is contained in annular, metal canisters located in a heat receiver at the focus of a solar concentrator. PCM canister ground-based experiments and analytical heat transfer studies are discussed. The hardware, test procedures, and test results from these experiments are discussed. After more than 900 simulated SSF orbital cycles, no canister cracks or leaks were observed and all data were successfully collected. The effect of 1-g test orientation on canister wall temperatures was generally small while void position was strongly dependent on test orientation and canister cooling. In one test orientation, alternating wall temperature data were measured that supports an earlier theory of oscillating vortex flow in the PCM melt. Analytical canister wall temperatures compared very favorably with experimental temperature data. This illustrates that ground-based canister thermal performance can be predicted well by analyses that employ straight-forward, engineering models of void behavior and liquid PCM free convection.

Kerslake, Thomas W.↗
NASA NTRS2007

Symmetry, Statistics and Structure in MHD Turbulence

Here, we examine homogeneous MHD turbulence in terms of truncated Fourier series. The ideal MHD equations and the associated statistical theory of absolute equilibrium ensembles are symmetric under P, C and T. However, the presence of invariant helicities, which are pseudoscalars under P and C, dynamically breaks this symmetry. This occurs because the surface of constant energy in phase space has disjoint parts, called components: while ensemble averages are taken over all components, a dynamical phase trajectory is confined to only one component. As the Birkhoff-Khinchin theorem tells us, ideal MHD turbulence is thus non-ergodic. This non-ergodicity manifests itself in low-wave number Fourier modes that have large mean values (while absolute ensemble theory predicts mean values of zero). Therefore, we have coherent structure in ideal MHD turbulence. The level of non-ergodicity and amount of energy contained in the associated coherent structure depends on the values of the helicities, as well as on the presence, or not, of a mean magnetic field and/or overall rotation. In addition to the well known cross and magnetic helicities, we also present a new invariant, which we call the parallel helicity, since it occurs when mean field and rotation axis are aligned. The question of applicability of these results to real (i.e., dissipative) MHD turbulence is also examined. Several long-time numerical simulations on a 64(exp 3) grid are given as examples. It is seen that coherent structure begins to form before decay dominates over nonlinearity. The connection of these results with inverse spectral cascades, selective decay, and magnetic dynamos is also discussed.

Shebalin, John V.↗
DOE OSTI2026

From molecular to macroscopic: predicting liquid–liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood–Buff theory

Macroscopic phase equilibria between solutions define the functionality of many biological and industrial processes, yet they are challenging to predict due to the inherent complexity of liquids containing large molecules. This work introduces an approach for the purely predictive calculation of such phase equilibria in temperature-composition space from molecular dynamics (MD) simulations at one temperature in the single-phase region. We use an approach developed previously to obtain the entropic and enthalpic contributions to the free energy of mixing from the atomic-scale information given by MD simulations via Kirkwood–Buff theory. This allows us to accurately estimate the free energy of mixing as a function of temperature, and thus obtain liquid–liquid phase equilibria, including liquid–liquid critical points, associated binodal and spinodal lines, and composition fluctuations across a region of temperature and composition. Results for binary malonamide–alkane systems are validated by comparison to a direct experimental probe of the fluctuations: the small angle X-ray scattering intensity near zero wavenumber. The MDKB → Phase method demonstrated here provides a significant improvement in predicting liquid–liquid equilibria and free energy as a function of temperature for our systems of interest compared to conventional thermodynamic models. The accurate performance of this purely predictive approach lies in its preservation of atomistic details when determining thermodynamic properties. Furthermore, its inherent extensibility to multi-component systems will likely make the MDKB → Phase approach a valuable general tool for connecting molecular interactions to macroscopic phase equilibria and for the computational screening of materials for targeted thermodynamic behavior.

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

Shock compression of crystalline TeO 2 to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

The shock response of fully-dense and porous crystalline tellurium dioxide (TeO 2 ⁠) to the high-pressure and high-temperature fluid regime was investigated within the framework of density functional theory with Mermin’s generalization to finite temperatures. The principal and porous shock Hugoniot curves were predicted from canonical ab initio molecular dynamics (AIMD) simulations, with the phase space sampled along isotherms up to 80 000 K, for densities ranging from ρ = 3 to 17 g/cm 3 . The polymorphs investigated are α-TeO 2 paratellurite (⁠P4 1 2 1 2), TeO 2 cotunnite (⁠Pnma⁠), and TeO 2 post-cotunnite (⁠P2 1 /m⁠). Based on the discontinuity found in the calculated U s – u p slope of TeO 2 post-cotunnite at a shock velocity of U s ≃ 8.35km/s and a particle velocity of u p ≃ 3.64 km/s, the shock melting temperature and pressure are predicted to be ≃ 6500 K and ≃ 170 GPa. Results from the AIMD simulations are in line with the static compression data of TeO 2 paratellurite and cotunnite, and with the recent shock Hugoniot data for single-crystal α- TeO 2 for pressures up to 85 GPa, obtained using the inclined-mirror method and the velocity interferometer system for any reflector combined with powder gun and two-stage light-gas gun.

74 ATOMIC AND MOLECULAR PHYSICS↗