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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

A Reliability Comparison of Classical and Stochastic Thickness Margin Approaches to Address Material Property Uncertainties for the Orion Heat Shield

The Orion Thermal Protection System (TPS) margin process uses a root-sum-square approach with branches addressing trajectory, aerothermodynamics, and material response uncertainties in ablator thickness design. The material response branch applies a bond line temperature reduction between the Avcoat ablator and EA9394 adhesive by 60 C (108 F) from its peak allowed value of 260 C (500 F). This process is known as the Bond Line Temperature Material Margin (BTMM) and is intended to cover material property and performance uncertainties. The value of 60 C (108 F) is a constant, applied at any spacecraft body location and for any trajectory. By varying only material properties in a random (monte carlo) manner, the perl-based script mcCHAR is used to investigate the confidence interval provided by the BTMM. In particular, this study will look at various locations on the Orion heat shield forebody for a guided and an abort (ballistic) trajectory.

FIAT↗
DOE OSTI2022

Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction

Amorphous bulk metallic glasses with the composition Fe 48 Cr 15 Mo 14 C 15 B 6 Y 2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with our ab initio simulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional

For orbital-free ab initio molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient approximation (GGA) functional for the non-interacting free energy. This is achieved by systematic finite-temperature extension of our recent LKT ground state non-interacting kinetic energy GGA functional (Phys. Rev. B 98, 041111(R) (2018)). We test the performance of the new functional first via static lattice calculations on crystalline aluminum and silicon. Then we compare deuterium equation of state results against both path-integral Monte Carlo and conventional (orbital-dependent) Kohn-Sham results. The new functional, denoted LKTF, outperforms the previous best semi-local free energy functional, VT84F (Phys. Rev. B 88, 161108(R) (2013)), and provides modestly faster simulations. Finally, we discuss subtleties of identification of kinetic and entropic contributions to non-interacting free-energy functionals obtained by extension from ground state orbital-free kinetic energy functionals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2014

The Gemini NICI Planet-Finding Campaign: The Offset Ring of HR 4796 A

We present J, H, CH4 short (1.578 micrometers), CH4 long (1.652 micrometers) and K(sub s)-band images of the dust ring around the 10 Myr old star HR 4796 A obtained using the Near Infrared Coronagraphic Imager (NICI) on the Gemini-South 8.1 m Telescope. Our images clearly show for the first time the position of the star relative to its circumstellar ring thanks to NICI's translucent focal plane occulting mask. We employ a Bayesian Markov chain Monte Carlo method to constrain the offset vector between the two. The resulting probability distribution shows that the ring center is offset from the star by 16.7 +/- 1.3 milliarcseconds along a position angle of 26 +/- 3deg, along the PA of the ring, 26.47 +/- 0.04deg. We find that the size of this offset is not large enough to explain the brightness asymmetry of the ring. The ring is measured to have mostly red reflectivity across the JHKs filters, which seems to indicate micron-sized grains. Just like Neptune's 3:2 and 2:1 mean-motion resonances delineate the inner and outer edges of the classical Kuiper belt, we find that the radial extent of the HR 4796 A and the Fomalhaut rings could correspond to the 3:2 and 2:1 mean-motion resonances of hypothetical planets at 54.7 AU and 97.7 AU in the two systems, respectively. A planet orbiting HR 4796 A at 54.7 AU would have to be less massive than 1.6 Jup mass so as not to widen the ring too much by stirring.

Near Infrared Coronagraphic Imager (NICI)↗
DOE OSTI2022

Mechanism for particle fractionalization and universal edge physics in quantum Hall fluids

Abstract Advancing a microscopic framework that rigorously unveils the underlying topological hallmarks of fractional quantum Hall (FQH) fluids is a prerequisite for making progress in the classification of strongly-coupled topological matter. We present a second-quantization framework that reveals an exact fusion mechanism for particle fractionalization in FQH fluids, and uncovers the fundamental structure behind the condensation of non-local operators characterizing topological order in the lowest-Landau-level. We show the first exact analytic computation of the quasielectron Berry connections leading to its fractional charge and exchange statistics, and perform Monte Carlo simulations that numerically confirm the fusion mechanism for quasiparticles. We express the sequence of (bosonic and fermionic) Laughlin second-quantized states, highlighting the lack of local condensation, and present a rigorous constructive subspace bosonization dictionary for the bulk fluid. Finally, we establish universal long-distance behavior of edge excitations by formulating a conjecture based on the DNA, or root state, of the FQH fluid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Development of a Pulsed Slowing-Down-Time Benchmark of Neutron Thermalization in Graphite

Graphite is a classic neutronic material that has been used as both a reactor reflector and moderator in various nuclear reactor systems. The ability to accurately predict the slowing down and thermalization of neutrons in graphite can have significant implications on the safety and operation of such reactor systems. In reactors, the neutron thermalization process is quantified using the thermal scattering law (TSL) and related cross sections for a given moderator. An ideal approach to assess the validity of TSL data is using benchmark measurement based on the pulsed Slowing-Down-Time technique and its comparison with the appropriate graphite nuclear library. In this work, experimental measurement and computational Monte Carlo simulations were performed to benchmark the slowing down characteristics and thermalization of neutrons in nuclear (reactor-grade) graphite. Given the density of graphite, various graphite libraries were selected for the benchmark analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Sheath transitions in a cylindrical filament discharge: Axisymmetric 1D3V PIC-MCC simulations

We present the first nonplanar hot cathode discharge simulations that capture the role of the trapped-ions plasma, elucidating new phenomena unobservable in planar geometric discharges. A discharge struck between a single emitting wire filament cathode and a bounding anode is simulated in cylindrical geometry using an axisymmetric (radial) particle-in-cell Monte-Carlo collisions code. Operating the discharge near its ionization energy threshold can lead to the formation of a two plasma mode (TPM). One plasma forms in the conventional upstream region through electron impact ionization of background neutrals. A second plasma, whose global effect on the discharge was not previously well understood, forms downstream through the trapping of cold ions in the potential well of the filament’s virtual cathode, a process enabled by ion-neutral charge exchange collisions. Three space charge regions intersperse the electrode gap—an emissive sheath between the cathode filament and trapped-ions plasma, a double layer between the two plasmas, and a classical sheath between the upstream plasma and the outer anode. Simulations exhibit mode transitions and quenching instabilities that transform the discharge between the TPM and other single-plasma sheath modes that include classical (temperature-limited), space charge limited, and inverse (anode glow) modes. The transitions are explained via “aid-and-compete” dynamics wherein the growth of one plasma enhances growth in the other while concurrently exhibiting expansion dynamics antagonistic to each other. The system exhibits strong hysteresis memory during the mode transitions. Improved understanding and control of these sheath mode transitions are expected to benefit plasma applications with hot cathodes.

Electrical hysteresis↗
DOE OSTI2023

Scalable simulation of coupled adsorption and transport of methane in confined complex porous media with density preconditioning

The growing significance of shales and tight formations in the transition to less carbon-intensive and clean energy drives the research endeavor to understand the physics of gas flow within these systems. However, shales are composed of massively heterogeneous physical and chemical features. Most nano-sized pores connect to millimeter-scale fractures, leading to multiscale transport. These nano-scale pore throats demonstrate non-classical flow behavior, such as non-negligible slip velocities and adsorbed gas layers at the boundary. As a result, classical computational fluid dynamics models do not capture the physics. In this work, we develop a coupling scheme for the multiple-relaxation-time (MRT) lattice Boltzmann (LB) method that integrates the Peng-Robinson equation of state into a pseudo-potential interaction model to capture the physics of methane flow in irregular networks of channels that represent nano-scale porous media. We use atomistic simulations to calibrate and validate our model in slit nano-channels. We propose a preconditioning scheme to initialize the coupled transport and adsorption simulation of methane in complex porous media. The results of this implementation of LB agree with Direct Simulation Monte Carlo (DSMC) and Molecular Dynamics (MD) simulations. We then scale up the LB implementation through vectorization and indirect addressing. We parallelize it using Message Passing Interface (MPI) and OpenMP frameworks to simulate transport and adsorption in complex media with a million lattices. Additionally, we analyze the differences between coupled and transport-only simulations in two case studies and show that considering phase behavior, i.e., adsorption, can significantly change the flow behavior. This work constitutes an important step towards bridging the gap between molecular flow and system-scale behavior of complex disordered porous media.

42 ENGINEERING↗
DOE OSTI2023

Fitting a deep generative hadronization model

Hadronization is a critical step in the simulation of high-energy particle and nuclear physics experiments. As there is no first principles understanding of this process, physically-inspired hadronization models have a large number of parameters that are fit to data. Deep generative models are a natural replacement for classical techniques, since they are more flexible and may be able to improve the overall precision. Proof of principle studies have shown how to use neural networks to emulate specific hadronization when trained using the inputs and outputs of classical methods. However, these approaches will not work with data, where we do not have a matching between observed hadrons and partons. In this paper, we develop a protocol for fitting a deep generative hadronization model in a realistic setting, where we only have access to a set of hadrons in data. Our approach uses a variation of a Generative Adversarial Network with a permutation invariant discriminator. We find that this setup is able to match the hadronization model in Herwig with multiple sets of parameters. This work represents a significant step forward in a longer term program to develop, train, and integrate machine learning-based hadronization models into parton shower Monte Carlo programs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2014

Space Launch System Implementation of Adaptive Augmenting Control

Given the complex structural dynamics, challenging ascent performance requirements, and rigorous flight certification constraints owing to its manned capability, the NASA Space Launch System (SLS) launch vehicle requires a proven thrust vector control algorithm design with highly optimized parameters to provide stable and high-performance flight. On its development path to Preliminary Design Review (PDR), the SLS flight control system has been challenged by significant vehicle flexibility, aerodynamics, and sloshing propellant. While the design has been able to meet all robust stability criteria, it has done so with little excess margin. Through significant development work, an Adaptive Augmenting Control (AAC) algorithm has been shown to extend the envelope of failures and flight anomalies the SLS control system can accommodate while maintaining a direct link to flight control stability criteria such as classical gain and phase margin. In this paper, the work performed to mature the AAC algorithm as a baseline component of the SLS flight control system is presented. The progress to date has brought the algorithm design to the PDR level of maturity. The algorithm has been extended to augment the full SLS digital 3-axis autopilot, including existing load-relief elements, and the necessary steps for integration with the production flight software prototype have been implemented. Several updates which have been made to the adaptive algorithm to increase its performance, decrease its sensitivity to expected external commands, and safeguard against limitations in the digital implementation are discussed with illustrating results. Monte Carlo simulations and selected stressing case results are also shown to demonstrate the algorithm's ability to increase the robustness of the integrated SLS flight control system.

Wall, John H.↗
NASA NTRS2012

Statistical Orbit Determination using the Particle Filter for Incorporating Non-Gaussian Uncertainties

The tracking of space objects requires frequent and accurate monitoring for collision avoidance. As even collision events with very low probability are important, accurate prediction of collisions require the representation of the full probability density function (PDF) of the random orbit state. Through representing the full PDF of the orbit state for orbit maintenance and collision avoidance, we can take advantage of the statistical information present in the heavy tailed distributions, more accurately representing the orbit states with low probability. The classical methods of orbit determination (i.e. Kalman Filter and its derivatives) provide state estimates based on only the second moments of the state and measurement errors that are captured by assuming a Gaussian distribution. Although the measurement errors can be accurately assumed to have a Gaussian distribution, errors with a non-Gaussian distribution could arise during propagation between observations. Moreover, unmodeled dynamics in the orbit model could introduce non-Gaussian errors into the process noise. A Particle Filter (PF) is proposed as a nonlinear filtering technique that is capable of propagating and estimating a more complete representation of the state distribution as an accurate approximation of a full PDF. The PF uses Monte Carlo runs to generate particles that approximate the full PDF representation. The PF is applied in the estimation and propagation of a highly eccentric orbit and the results are compared to the Extended Kalman Filter and Splitting Gaussian Mixture algorithms to demonstrate its proficiency.

Mashiku, Alinda↗
DOE OSTI2024

Dimensionality crossover to a two-dimensional vestigial nematic state from a three-dimensional antiferromagnet in a honeycomb van der Waals magnet

The effects of fluctuations and disorder, which are substantially enhanced in reduced dimensional-ities, can play a crucial role in producing nontrivial phases of matter such as vestigial orders char-acterized by a composite order parameter. However, fluctuation-driven magnetic phases in low dimensions have remained relatively unexplored. Here we demonstrate a phase transition from the zigzag antiferromagnetic order in the three-dimensional bulk to a Z 3 vestigial Potts-nematicity in two-dimensional few-layer samples of van der Waals magnet NiPS 3 . Our spin relaxometry and op-tical spectroscopy measurements reveal that the spin fluctuations are enhanced over the gigahertz to terahertz range as the layer number of NiPS 3 reduces. Monte Carlo simulations corroborate the experimental finding of 3-fold rotational symmetry breaking, but show that translational symmetry is restored in thin layers of NiPS 3 . Furthermore, our results show that strong quantum fluctuations can stabilize an unconventional magnetic phase after destroying a more conventional one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Collective excitations and quantum incompressibility in electron-hole bilayers

In this study, we apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and interlayer pair correlation functions, which are available from quantum Monte Carlo calculations. The final formulas for the collective modes deduced from this approach coincide with the formulas obtained in the “quasilocalized particle approximation” by Kalman et al. [G. Kalman, V. Valtchinov, and K. I. Golden, Phys. Rev. Lett. 82 , 3124 (1999) ], and likewise the theory predicts the existence of gapped excitations in the charged channel, with the gap arising from electron-hole correlation. An immediate consequence of the gap is that the static density-density response function of the charged channel vanishes as q 2 for wave vector q → 0 , rather than linearly in q , as commonly expected. In this sense, the system is incompressible . This feature, which has no analog in the classical electron-hole plasma, is consistent with the existence of an excitonic ground state and implies the existence of a discontinuity in the chemical potential of electrons and holes when the numbers of electrons and holes are equal. It should be experimentally observable by monitoring the densities of electrons and holes in response to potentials that attempt to change these densities in opposite directions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Global minimization via classical tunneling assisted by collective force field formation

Simple elements interacting in networks can give rise to intricate emergent behaviors. Examples such as synchronization and phase transitions often apply in many contexts, as many different systems may reduce to the same effective model. Here, we demonstrate such a behavior in a model inspired by memristors. When weakly driven, the system is described by movement in an effective potential, but when strongly driven, instabilities cause escapes from local minima, which can be interpreted as an unstable tunneling mechanism. We dub this collective and nonperturbative effect a “Lyapunov force,” which steers the system toward the global minimum of the potential function, even if the full system has a constellation of equilibrium points growing exponentially with the system size. This mechanism is appealing for its physical relevance in nanoscale physics and for its possible applications in optimization, Monte Carlo schemes, and machine learning.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Reversible writing/deleting of magnetic skyrmions through hydrogen adsorption/desorption

Abstract Magnetic skyrmions are topologically nontrivial spin textures with envisioned applications in energy-efficient magnetic information storage. Toggling the presence of magnetic skyrmions via writing/deleting processes is essential for spintronics applications, which usually require the application of a magnetic field, a gate voltage or an electric current. Here we demonstrate the reversible field-free writing/deleting of skyrmions at room temperature, via hydrogen chemisorption/desorption on the surface of Ni and Co films. Supported by Monte-Carlo simulations, the skyrmion creation/annihilation is attributed to the hydrogen-induced magnetic anisotropy change on ferromagnetic surfaces. We also demonstrate the role of hydrogen and oxygen on magnetic anisotropy and skyrmion deletion on other magnetic surfaces. Our results open up new possibilities for designing skyrmionic and magneto-ionic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Geometric control of emergent antiferromagnetic order in coupled artificial spin ices

Artificial spin ices (ASIs) composed of coupled nanomagnets offer the possibility to create designer geometrical frustration and manipulate inter-nanomagnet interactions. In particular, by using a dimer motif consisting of two strongly coupled single-domain nano magnets as a building block, we can control and realize intriguing antiferromagnetic physical states in which the magnetic charge is not conserved. Here we create a dimer kagome ASI system within which the antiferromagnetic order is controlled by tuning lattice geometry. Different disordered antiferromagnetic phases and the inter-nanomagnet interactions are visualized directly in demagnetized lattices with different lattice parameters. Monte Carlo simulations establish that the collective ground state consists of disordered antiferromagnetic dimers across the lattice when the intra-dimer interaction is dominant. However, for lattices governed by intra-triad-unit interactions, the ground state exhibits a longrange spin-ordered state in which the vertex magnetic charge is uniform across all triads.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Comparing quantum annealing and spiking neuromorphic computing for sampling binary sparse coding QUBO problems

We consider the problem of computing a sparse binary representation of an image. Given an image and an overcomplete, non-orthonormal basis, we aim to find a sparse binary vector indicating the minimal set of basis vectors that when added together best reconstruct the given input. We formulate this problem with an L 2 loss on the reconstruction error, and an L 0 loss on the binary vector enforcing sparsity. First, we solve the sparse representation QUBOs by solving them both on a D-Wave quantum annealer with Pegasus chip connectivity, as well as on the Intel Loihi 2 spiking neuromorphic processor using a stochastic Non-equilibrium Boltzmann Machine (NEBM). Second, using Quantum Evolution Monte Carlo with Reverse Annealing and iterated warm starting on Loihi 2 to evolve the solution quality from the respective machines. We demonstrate that both quantum annealing and neuromorphic computing are suitable for solving binary sparse coding QUBOs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Experimental Realization of One-Dimensional Helium

Abstract As the spatial dimension is lowered, locally stabilizing interactions are reduced, leading to the emergence of strongly fluctuating phases of matter without classical analogues. Realizing 1D platforms has been elusive, due to their inherent lack of stability, with a few notable exceptions such as spin chains and ultracold low-density gasses. The inability of such systems to exhibit long range order is essential to their universal description in terms of the Tomonaga-Luttinger liquid theory. Here we report on the experimental observation of a one-dimensional quantum liquid of $$^4$$ 4 He using nanoengineering to confine it within a porous material preplated with a noble gas to enhance dimensional reduction. The resulting excitations of the confined $$^4$$ 4 He, confirmed by neutron scattering, are qualitatively different than three- and two-dimensional superfluid helium, and consistent with Quantum Monte Carlo calculations. The results can be analyzed in terms of a mobile impurity in an otherwise linear Luttinger liquid allowing for the extraction of the microscopic parameters describing the emergent quantum liquid.

Sokol, Paul E.↗