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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ab Initio Bulk Free Energy Surface of Proper Ferroelectrics

We report a systematic and accurate approach for deriving the bulk free energy surface (FES), a function of temperature, polarization, and strain, from the first-principles density functional theory (DFT) of proper ferroelectrics. The core of our approach is the metadynamics algorithm that extracts the polarization dependence of the FES from all-atom molecular dynamics simulations without an a priori ansatz. The rest of the FES is derived from the metadynamics trajectories that span the relevant phase space. We demonstrate our approach in the case of lead titanate. The errors across the phase transition, due to DFT numerics, all-atom molecular dynamics, and free energy evaluation by enhanced sampling, can be systematically controlled and are of the order of 1 meV/atom. The accuracy of the resulting ab initio FES is only limited by the adopted functional approximation of DFT.

Xie, Pinchen [Lawrence Berkeley National Laborator↗
NASA NTRS1989

The transient performance of a two-phase fluid reservoir

Thermal control of future large, high power spacecraft will require a two-phase fluid central bus. The two-phase fluid reservoir is a critical component in the two-phase fluid bus. It both controls the saturation temperature and provides a space for volumetric changes. A dynamic reservoir simulation model does not currently exist, but it is needed to expedite efforts and reduce risk. During 1989 an effort was made to develop a simulation model of the transient performance of a two-phase fluid reservoir. As a beginning, a preliminary model was developed. It is based upon component mathematical models in lumped parametric form and build upon five component mathematical models for calculating dynamic responses of two-phase fluid reservoirs, primary feedback elements, controller commands, heater actuators, and reservoir heaters. As much as possible, the model took advantage of the available SINDA'85/FLUINT thermal/fluid integrator. Additional calculation logic and computer subroutines were developed to complete implementation of the model. The model is capable of simulating dynamic response of an equilibrium two-phase fluid reservoir. Modification of the model to include the liquid/vapor nonequilibrium is required for applications of the model to simulate performance of reservoir in which the liquid and vapor phases of the reservoir fluid are not in equilibrium. In addition, the model in its present form, needs to be refined in several respects. More empirical data are needed to guide the model development. The model may then be used to conduct a full parametric study of two-phase fluid reservoirs. More complexities in two-phaes flow regions in laboratory and flight conditions may have to be considered eventually if empirical data cannot be simulated satisfactorily. System with other components arrangement also need to be simulated if optimization is ever to be attained. The present model does, however, preliminarily demonstrates that such analyses are quite possible and offers a far less expensive method to understand the transient of a two-phase fluid reservoir system than a totally headware approach.

Chi, Joseph↗
NASA NTRS1992

A computer search for asteroid families

The improved proper elements of 4100 numbered asteroids have been searched for clusterings in a, e, i space using a computer technique based on the D-criterion. A list of 14 dynamical families each with more than 15 members is presented. Quantitative measurements of the density and dimensions in phase space of each family are presented.

Lindblad, Bertil A.↗
NASA NTRS2014

Gradual Diffusion and Punctuated Phase Space Density Enhancements of Highly Relativistic Electrons: Van Allen Probes Observations

The dual-spacecraft Van Allen Probes mission has provided a new window into mega electron volt (MeV) particle dynamics in the Earth's radiation belts. Observations (up to E (is) approximately 10MeV) show clearly the behavior of the outer electron radiation belt at different timescales: months-long periods of gradual inward radial diffusive transport and weak loss being punctuated by dramatic flux changes driven by strong solar wind transient events. We present analysis of multi-MeV electron flux and phase space density (PSD) changes during March 2013 in the context of the first year of Van Allen Probes operation. This March period demonstrates the classic signatures both of inward radial diffusive energization and abrupt localized acceleration deep within the outer Van Allen zone (L (is) approximately 4.0 +/- 0.5). This reveals graphically that both 'competing' mechanisms of multi-MeV electron energization are at play in the radiation belts, often acting almost concurrently or at least in rapid succession.

Van Allen Probes↗
NASA NTRS1995

The Photogrammetric Appendage Structural Dynamics Experiment

The Photogrammetric Appendage Structural Dynamics Experiment (PASDE) is a Hitchhiker payload scheduled to fly as part of the International Space Station (ISS) Phase-1 flight program to the Russian Space Station Mir. The objective of the first flight of PASDE on STS-74 is to obtain video images of the Mir Kvant-2 solar array response to various structural dynamic excitation events. This experiment will demonstrate the use of photogrammetric techniques for on-orbit structural dynamics measurements. Photogrammetric measurements will provide a low cost alternative to appendage mounted accelerometers to the ISS program. The PASDE experiment hardware consists of three instruments each containing two video cameras, two video tape recorders, a modified video signal time inserter, and associated avionics boxes. The instruments were designed and built at the NASA Langley Research Center, and are integrated into standard Hitchhiker canisters at the NASA Goddard Space Flight Center. The Hitchhiker canisters are then installed into the Space Shuttle cargo bay in locations selected to achieve good video coverage and photogrammetric geometry. The measurement resolution of the instruments is expected to be on the order of 0.25 cm (0.1 in.).

Gilbert, Michael G.↗
DOE OSTI2025

Nonlinear Topological Photonics: Capturing Nonlinear Dynamics and Optical Thermodynamics

Combining multiple optical resonators or engineering dispersion of complex media has provided an effective method for demonstrating topological physics controlling photons in unprecedented ways such as unidirectional light propagation and spatially localized modes between an interface or on a corner. Further, adding nonlinear responses to those topological photonic systems has enabled achieving diverse phases of photons in both space and time, allowing for more functionalities in photonic devices that provide a new playground for studying dynamic features of nonlinear topological systems. However, most methods for describing nonlinear topological photonic systems rely on linear topological theories, making it challenging to accurately characterize the topology of nonlinear systems. Thus, substantial efforts have focused on rigorously describing nonlinear topological phases and developing effective tools to analyze nonlinear topological effects. Meanwhile, coupled multimode optical waveguides with nonlinear dynamic responses provide an excellent platform for the statistical description of photons, opening a new paradigm called “optical thermodynamics”. This review will introduce the basic concepts of nonlinear topological photonics and the recent development of theoretical approaches focusing on data-driven approaches for creating phase diagrams as well as the spectral localizer framework and the pseudospectrum method for understanding optical nonlinearities in topological systems. In addition, the new concept of optical thermodynamics will be introduced with some recent theoretical works.

Topological photonics↗
DOE OSTI2023

An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package

Collective variable (CV)-based enhanced sampling techniques are widely used today for accelerating barrier-crossing events in molecular simulations. A class of these methods, which includes temperature accelerated molecular dynamics (TAMD)/driven-adiabatic free energy dynamics (d-AFED), unified free energy dynamics (UFED), and temperature accelerated sliced sampling (TASS), uses an extended variable formalism to achieve quick exploration of conformational space. These techniques are powerful, as they enhance the sampling of a large number of CVs simultaneously compared to other techniques. Extended variables are kept at a much higher temperature than the physical temperature by ensuring adiabatic separation between the extended and physical subsystems and employing rigorous thermostatting. Here, in this work, we present a computational platform to perform extended phase space enhanced sampling simulations using the open-source molecular dynamics engine OpenMM. The implementation allows users to have interoperability of sampling techniques, as well as employ state-of-the-art thermostats and multiple time-stepping. This work also presents protocols for determining the critical parameters and procedures for reconstructing high-dimensional free energy surfaces. As a demonstration, we present simulation results on the high dimensional conformational landscapes of the alanine tripeptide in vacuo, tetra-N-methylglycine (tetra-sarcosine) peptoid in implicit solvent, and the Trp-cage mini protein in explicit water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Measurements of the Five-Dimensional Phase Space Distribution of an Intense Ion Beam

No simulation of intense beam transport has accurately reproduced measurements at the level of beam halo. One potential explanation of this discrepancy is a lack of knowledge of the initial distribution of particles in six-dimensional (6D) phase space. A direct 6D measurement of an ion beam was recently performed at the Spallation Neutron Source (SNS) Beam Test Facility (BTF), revealing nonlinear transverse-longitudinal correlations in the beam core that affect downstream evolution. Unfortunately, direct 6D measurements are limited in resolution and dynamic range; here, we discuss the use of three slits and one screen to measure a 5D projection of the 6D phase space distribution, overcoming these limitations at the cost of one dimension. We examine the measured 5D distribution before and after transport through the BTF and compare to particle-in-cell simulations. We also discuss the possibility of reconstructing the 6D distribution from 5D and 4D projections.

Hoover, Austin↗
NASA NTRS1990

Computation of Space Shuttle high-pressure cryogenic turbopump ball bearing two-phase coolant flow

A homogeneous two-phase fluid flow model, implemented in a three-dimensional Navier-Stokes solver using computational fluid dynamics methodology is described. The application of the model to the analysis of the pump-end bearing coolant flow of the high-pressure oxygen turbopump of the Space Shuttle main engine is studied. Results indicate large boiling zones and hot spots near the ball/race contact points. The extent of the phase change of the liquid oxygen coolant flow due to the frictional and viscous heat fluxes near the contact areas has been investigated for the given inlet conditions of the coolant.

Chen, Yen-Sen↗
DOE OSTI2021

Real Space Imaging of Spin Stripe Domain Fluctuations in a Complex Oxide

Understanding the formation and dynamics of charge and spin-ordered states in low-dimensional transition metal oxide materials is crucial to understanding unconventional high-temperature superconductivity. La 2-x Sr x NiO 4+δ (LSNO) has attracted much attention due to its interesting spin dynamics. Recent x-ray photon correlation spectroscopy studies have revealed slow dynamics of the spin order (SO) stripes in LSNO. Here, we applied resonant soft x-ray ptychography to map the spatial distribution of the SO stripe domain inhomogeneity in real space. The reconstructed images show the SO domains are spatially anisotropic, in agreement with previous diffraction studies. For the SO stripe domains, it is found that the correlation lengths along different directions are strongly coupled in space. Surprisingly, fluctuations were observed in the real space amplitude signal, rather than the phase or position. Overall, we attribute the observed slow dynamics of the stripe domains in LSNO to thermal fluctuations of the SO domain boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2014

Conceptual Design Optimization of an Augmented Stability Aircraft Incorporating Dynamic Response and Actuator Constraints

Empirical sizing guidelines such as tail volume coefficients have long been used in the early aircraft design phases for sizing stabilizers, resulting in conservatively stable aircraft. While successful, this results in increased empty weight, reduced performance, and greater procurement and operational cost relative to an aircraft with optimally sized surfaces. Including flight dynamics in the conceptual design process allows the design to move away from empirical methods while implementing modern control techniques. A challenge of flight dynamics and control is the numerous design variables, which are changing fluidly throughout the conceptual design process, required to evaluate the system response to some disturbance. This research focuses on addressing that challenge not by implementing higher order tools, such as computational fluid dynamics, but instead by linking the lower order tools typically used within the conceptual design process so each discipline feeds into the other. In thisresearch, flight dynamics and control was incorporated into the conceptual design process along with the traditional disciplines of vehicle sizing, weight estimation, aerodynamics, and performance. For the controller, a linear quadratic regulator structure with constant gains has been specified to reduce the user input. Coupling all the disciplines in the conceptual design phase allows the aircraft designer to explore larger design spaces where stabilizers are sized according to dynamic response constraints rather than historical static margin and volume coefficient guidelines.

Welstead, Jason↗
NASA NTRS1992

Project PARAS: Phased array radio astronomy from space

An orbiting radio telescope is proposed which, when operated in a very long baseline interferometry (VLBI) scheme, would allow higher than currently available angular resolution and dynamic range in the maps and the ability to observe rapidly changing astronomical sources. Using passive phased array technology, the proposed design consists of 656 hexagonal modules forming a 150-m diameter antenna dish. Each observatory module is largely autonomous, having its own photovoltaic power supply and low-noise receiver and processor for phase shifting. The signals received by the modules are channeled via fiber optics to the central control computer in the central bus module. After processing and multiplexing, the data are transmitted to telemetry stations on the ground. The truss frame supporting each observatory panel is a novel hybrid structure consisting of a bottom graphite/epoxy tubular triangle and rigidized inflatable Kevlar tubes connecting the top observatory panel and the bottom triangle. Attitude control and station keeping functions will be performed by a system of momentum wheels in the bus and four propulsion modules located at the compass points on the periphery of the observatory dish. Each propulsion module has four monopropellant thrusters and four hydrazine arcjets, the latter supported by either a photovoltaic array or a radioisotope thermoelectric generator. The total mass of the spacecraft is about 20,500 kg.

Nuss, Kenneth↗
DOE OSTI2022

The kinetic origin of the fluid helicity—A symmetry in the kinetic phase space

Helicity, a topological degree that measures the winding and linking of vortex lines, is preserved by ideal (barotropic) fluid dynamics. In the context of the Hamiltonian description, the helicity is a Casimir invariant characterizing a foliation of the associated Poisson manifold. Casimir invariants are special invariants that depend on the Poisson bracket, not on the particular choice of the Hamiltonian. The total mass (or particle number) is another Casimir invariant, whose invariance guarantees the mass (particle) conservation (independent of any specific choice of the Hamiltonian). In a kinetic description (e.g., that of the Vlasov equation), the helicity is no longer an invariant (although the total mass remains a Casimir of the Vlasov’s Poisson algebra). The implication is that some “kinetic effect” can violate the constancy of the helicity. To elucidate how the helicity constraint emerges or submerges, we examine the fluid reduction of the Vlasov system; the fluid (macroscopic) system is a “sub-algebra” of the kinetic (microscopic) Vlasov system. In the Vlasov system, the helicity can be conserved if a special helicity symmetry condition holds. To put it another way, breaking helicity symmetry induces a change in the helicity. We delineate the geometrical meaning of helicity symmetry and show that for a special class of flows (the so-called epi-two-dimensional flows), the helicity symmetry is written as ∂γ = 0 for a coordinate γ of the configuration space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Experimental and theoretical examination of shock-compressed copper through the fcc to bcc to melt phase transitions

Recent studies show a face-centered cubic (fcc) to body-centered cubic (bcc) transformation along the shock Hugoniot for several metals (i.e., Cu, Au, and Ag). Here, we combine laser-shock compression of Cu foils on nanosecond timescales with in situ x-ray diffraction (XRD) to examine the microstructural changes with stress. We study the fcc phase and the phase transition from fcc to bcc (pressures greater than 180 GPa). Textural analysis of the azimuthal intensities from the XRD images is consistent with transformation into the bcc phase through the Pitsch-distortion mechanism. We use embedded atom model molecular dynamics simulations to determine the stability of the bcc phase in pressure–temperature space. Finally, our results indicate that the bcc phase is stabilized only at high temperatures and remains stable at pressures greater than 500 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Oxidation in laser-generated metal plumes

The temporal evolution of atoms and molecules in a laser-produced plasma was investigated using optical emission spectroscopy for several metal targets (i.e., Al, Ti, Fe, Zr, Nb, and Ta). Plasmas from metal targets were generated by focusing 1064 nm, 6 ns pulses from an Nd:YAG laser. Gas-phase oxidation/plasma chemistry was initiated by adding O2 (partial pressures up to ≈20%) to an N2 environment where the total background pressure was kept at a constant 1 atmosphere. Temporally resolved emission spectral features were used to track the gas-phase oxidation. The dynamics of atomic and molecular species were monitored using space-resolved time-of-flight emission spectroscopy. Our results highlight that the partial pressure of O2 strongly influences spectral features and molecular formation in laser-produced plasmas. Atoms and molecules co-exist in plasmas, although with different temporal histories depending on the target material due to differences in thermo- and plasma chemical reactions occurring in the plume.

Kautz, Elizabeth J. (ORCID:0000000263389223)↗
DOE OSTI2022

Gravothermal phase transition, black holes and space dimensionality

In the framework of gravothermal evolution of an ideal monatomic fluid, I examine the dynamical instability of the fluid sphere in (N+1) dimensions by exploiting Chandrasekhar’s criterion to each quasi-static equilibrium along the sequence of the evolution. Once the instability is triggered, it would probably collapse into a black hole if no other interaction halts the process. From this viewpoint, the privilege of (3+1)-dimensional spacetime is manifest, as it is the marginal dimensionality in which the ideal monatomic fluid is stable but not too stable. Moreover, it is the unique dimensionality that allows stable hydrostatic equilibrium with positive cosmological constant. While all higher dimensional (N > 3) spheres are genuinely unstable. In contrast, in (2+1)-dimensional spacetime it is too stable either in the context of Newton’s theory of Gravity or Einstein’s General Relativity. It is well-known that the role of negative cosmological constant is crucial to have the Banados-Teitelboim-Zanelli (BTZ) black hole solution and the equilibrium configurations of a fluid disk. Owing to the negativeness of the cosmological constant, there is no unstable configuration for a homogeneous fluid disk to collapse into a naked singularity, which supports the Cosmic Censorship Conjecture. However, BTZ holes of mass M BTZ > 0 could emerge from collapsing fluid disks. The implications of spacetime dimensionality are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Experimental verification of integrability in a Danilov-Nagaitsev lattice using machine learning

In non-linear optics, achieving integrability can enhance the dynamic aperture in storage rings. We analyze turn-by-turn phase-space data from our Danilov-Nagaitsev lattice implementation at Fermilab's Integrable Optics Test Accelerator using machine learning. AI Poincaré estimates conserved quantities from experimental data without prior knowledge of the invariant structure, showing qualitative agreement with theoretical predictions. Additionally, one of the two learned invariants exhibits comparable or better conservation compared to known theoretical expressions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Experimental Verification of Integrability in a Danilov-Nagaitsev Lattice using Machine Learning

In non-linear optics, achieving integrability can enhance the dynamic aperture in storage rings. We analyze turn-by-turn phase-space data from our Danilov-Nagaitsev lattice implementation at Fermilab's Integrable Optics Test Accelerator using machine learning. \textit{AI Poincar\'e} estimates conserved quantities from experimental data without prior knowledge of the invariant structure, showing qualitative agreement with theoretical predictions. Additionally, one of the two learned invariants exhibits comparable or better conservation compared to known theoretical expressions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗