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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 55 records · Page 3

Relativistic particles and gamma-rays in quasars and active galactic nuclei

A model for a class of quasars and active galactic nuclei is described in which a shock around a massive black hole randomizes the infall kinetic energy of spherically accreting matter producing a nonthermal spectrum of high energy protons. These protons may be responsible for the secondary production (via tau + or - decay) of the radio emitting high energy electrons and also of high energy gamma rays (via Pi decay and inverse Compton interactions of the electrons). The correlation between radio and gamma ray emission implied by the model is in good agreement with observations of 3C273. Observation of the flux of high energy neutrinos from quasars may provide a test for the model.

Protheroe, R. J.↗

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Chitsomboon, Tawit↗

Turbulence modeling in supersonic combusting flows

To support the National Aerospace Plane project, the RPLUS3D CFD code has been developed at NASA Lewis. The code has the ability to solve three-dimensional flowfields with finite rate combustion of hydrogen and air. The combustion processes of the hydrogen-air system are simulated by an 18-reaction path, 8-species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though it uses a fully implicit numerical algorithm. A k-epsilon (two equation) turbulence model is incorporated into the RPLUS3D code.

Chitsomboon, Tawit↗

On the origin of relativistic particles and gamma-rays in quasars

A model for a class of quasars and active galactic nuclei is proposed in which a shock around a massive black hole randomizes the infall kinetic energy of spherically accreting matter producing a nonthermal spectrum of high energy protons. It is suggested that these protons are responsible for the secondary production (via proton decay) of the radio emitting high energy electrons and also of high energy gamma-rays (via proton decay and inverse Compton interactions of the electrons). The correlation between radio and gamma-ray emission implied by the model is in good agreement with observations of 3C273. Observation of the flux of high energy neutrinos from quasars may provide a test for the model.

Protheroe, R. J.↗

Inverse design of a pyrochlore lattice of DNA origami through model-driven experiments

Sophisticated statistical mechanics approaches and human intuition have demonstrated the possibility of self-assembling complex lattices or finite-size constructs. However, attempts so far have mostly only been successful in silico and often fail in experiment because of unpredicted traps associated with kinetic slowing down (gelation, glass transition) and competing ordered structures. Theoretical predictions also face the difficulty of encoding the desired interparticle interaction potential with the experimentally available nano- and micrometer-sized particles. To overcome these issues, we combine SAT assembly (a patchy-particle interaction design algorithm based on constrained optimization) with coarse-grained simulations of DNA nanotechnology to experimentally realize trap-free self-assembly pathways. In this paper, we use this approach to assemble a pyrochlore three-dimensional lattice, coveted for its promise in the construction of optical metamaterials, and characterize it with small-angle x-ray scattering and scanning electron microscopy visualization.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Coherence from multiorbital tunneling ionization of molecules

We present a simple and general coherence model for multiorbital tunnel ionization of molecules, which we incorporate into our previously developed density-matrix approach for sequential double ionization. Here, the influence of this coherence is investigated through simulations of single ionization and sequential double ionization of N 2 and O 2 using few-cycle near-infrared laser pulses. In the case of single ionization, our results reveal the crucial role played by this coherence in generating population inversion in N 2 + , suggesting a potential mechanism for air lasing. Regarding sequential double ionization, we observe only minor changes in the kinetic energy release spectra when the coherence is included, while noticeable differences in the angle-dependent dication yield for both N 2 and O 2 are found. Based on these findings, we recommend the inclusion of multiorbital tunnel ionization coherence in models for single ionization of general molecules, while suggesting that it can be safely neglected in the case of sequential double ionization.

74 ATOMIC AND MOLECULAR PHYSICS↗

Numerical modeling of D-mappings with applications to chemical kinetics

Numerical modeling of D-mappings was studied and applied to solving nonlinear stiff systems. These mappings were locally linearized for convergence analysis, and some applications were made to chemical kinetics. The technique avoids using multistep implicit codes that require inversion of Jacobian matrices, but depends on the Jacobians for its convergence analysis.

Dey, S. K.↗

Machine learning-based real-time kinetic profile reconstruction in DIII-D

Abstract Kinetic equilibrium reconstruction plays a vital role in the physical analysis of plasma stability and control in fusion tokamaks. However, the traditional approach is subjective and prone to human biases. To address this, the consistent automatic kinetic equilibrium reconstruction (CAKE) method was introduced, providing objective results. Nonetheless, its offline nature limits its application in real-time plasma control systems (PCSs). To address this limitation, we present RTCAKENN, a machine learning model that approximates 7 CAKE-level output profiles, namely pressure, inverse q , toroidal current density, electron temperature and density, carbon ion impurity temperature and rotation profiles, using real-time available inputs. The deep neural network consists of an encoder layer, where the scalars and interdependent inputs such as plasma boundary coordinates and motional Stark effect data are encoded using multi-layer perceptrons (MLPs), while profile inputs are encoded by 1D convolutional layers. The encoded data is passed through a MLP for latent feature extraction, before being decoded in the decoding layers, which consist of upsampling and convolutional layers. RTCAKENN has been implemented in the DIII-D PCS and our model achieves accuracy comparable to CAKE and surpasses existing real-time alternatives. Through clever dropout training, RTCAKENN exhibits robustness and can operate even in the absence of Thomson scattering data or charge exchange recombination data. It executes in under 8 ms in the real-time environment, enabling future application in real-time control and analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Forward and inverse predictive transient models of TREAT using surrogate reactivity models

In this work, we present two novel approaches for predicting the power evolution and control rod height of the Transient Reactor Test Facility (TREAT) to support experiment modeling; specifically, transient analysis of the NASA-sponsored Sirius series of experiments. These approaches utilize steady-state Monte Carlo model, point kinetics model, and surrogate models to predict power evolution and control rod axial position during transient experiments. Both approaches were tested and validated against several Sirius experiments that were performed in the TREAT facility at different power levels. The validation test results show very good agreement with the experimental data, and the models were able to accurately predict the power evolution and the axial control rod position with an average error within 3.0%. Finally, this indicates that these approaches will help the reactor engineering team of the TREAT facility in preparing and predicting the power and temperature of the experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CSPlib: A performance portable parallel software toolkit for analyzing complex kinetic mechanisms

Computational singular perturbation (CSP) is a method to analyze dynamical systems. It targets the decoupling of fast and slow dynamics using an alternate linear expansion of the right-hand side of the governing equations based on eigenanalysis of the associated Jacobian matrix. This representation facilitates diagnostic analysis, detection and control of stiffness, and the development of simplified models. For this work, we have implemented CSP in a C++ open-source library CSPlib using the Kokkos parallel programming model to address portability across diverse heterogeneous computing platforms, i.e., multi/many-core CPUs and GPUs. We describe the CSPlib implementation and present its computational performance across different computing platforms using several test problems. Specifically, we test the CSPlib performance for a constant pressure ignition reactor model on different architectures, including IBM Power 9, Intel Xeon Skylake, and NVIDIA V100 GPU. The size of the chemical kinetic mechanism is varied in these tests. As expected, the Jacobian matrix evaluation, the eigensolution of the Jacobian matrix, and matrix inversion are the most expensive computational tasks. When considering the higher throughput characteristic of GPUs, GPUs performs better for small matrices with higher occupancy rate. CPUs gain more advantages from the higher performance of well-tuned and optimized linear algebra libraries such as OpenBLAS.

97 MATHEMATICS AND COMPUTING↗

Switching kinetics in ferroelectric zinc magnesium oxide thin films

The switching kinetics of RF-magnetron reactively sputtered ~200 nm thick Zn 1-x Mg x O (ZMO) ferroelectric thin films with x = 0.41 and x = 0.27 prepared on Pt/Ti/SiO 2 /Si substrates were studied at applied fields near the coercive fields, ranging from 3.4 to 5.1 MV cm -1 , and at temperatures ranging from room temperature to 100 °C. Polarization reversal in ZMO followss the Kolmogorov-Avrami-Ishibashi kinetics model for nucleation and growth at applied fields near the coercive field, and obeys an individual column switching (ICS) model at higher applied fields required to switch most of the spontaneous polarization. Switching in the high-applied field regime can be described using either the Gaussian or inverse gamma distribution functions depending on the mole fraction of magnesium in the film. The switching current transients of the high-Mg content ZMO film (x = 0.41) are always bi-modal, whereas the low Mg composition film (x = 0.27) is described by the Gaussian distribution initially following wake-up, and becomes bimodal with continued cycling. Rayleigh-like behavior of the dielectric constant revealed a simultaneous increase of the irreversible and decrease of the reversible contributions to the dielectric constant, which was ascribed to an increase in the density of mobile domain walls with cycling and resulted in faster switching.

30 DIRECT ENERGY CONVERSION↗

Ultrasonic characterization of changes in viscoelastic properties of epoxy during cure

A technique for using the longitudinal velocity (LV) of an ultrasonic wave to monitor the extent of cross linking (CL) during the cure of thermosetting resins is described. The method was developed by monitoring the rate of change in LV during the cure of a bisphenol-A epoxy resin with an amine adduct. The experiment included variations in the temperature and stoichiometry in order to express the rate of change in terms of the reaction kinetics. The pulse-echo method was used with a single transducer operating at 20 MHz. Numerical models were defined to account for the acoustic response of a single layer, the attenuation and the reflection coefficient. A linear relationship was observed between the inverse of the temperature and the log of the rate of change in the velocity, supporting the theory that the velocity could be used to monitor the extent of the cross-linking reaction. An activation energy of 11.9 kcal/mole was calculated for the mixture being investigated.

Winfree, W. P.↗

Targeted Chemical Looping Materials Discovery by an Inverse Design

Chemical looping with oxygen uncoupling (CLOU) materials is actively sought for combustion of carbonaceous materials to achieve complete conversion and capture of carbon dioxide. These materials may play a vital role in reducing atmospheric carbon via negative carbon output. However, there is no one‐size‐fits‐all approach as different operating conditions and feedstocks may require different CLOU materials. As a result, the exploration and discovery of high‐performance CLOU materials can be a slow process. To address this challenge, a high‐throughput inverse machine learning workflow that identifies optimum materials from perovskite oxides for a given set of targets is developed—temperature and Gibbs free energy of oxygen formation. The model is trained on high‐throughput density functional theory calculations of CLOU materials and inverts the materials design process using a genetic algorithm to produce realistic substituted SrFeO 3‐δ compositions as output. Using the inverse model, it is able to identify several interesting new families of CLOU materials: Sr 1‐ x A x Fe 1‐ y B y O 3‐δ (e.g., A = Ca or K; B = Mg, Bi, Mn, Ni, Co, Cu, or Zn). These materials have shown promising properties, and some of them even outperform the benchmark material in terms of oxygen release kinetics under relevant CLOU operating conditions.

36 MATERIALS SCIENCE↗

Phases of dark matter from inverse decays

Inverse decays are an interesting avenue for producing dark matter in the early Universe. We study in detail various phases of dark matter parameter space where inverse decays control its abundance, expanding on our work of inverse decay (INDY) dark matter and going beyond. The role of initial conditions and the impact of departure from kinetic equilibrium are investigated as well. We show how these inverse decay phases can arise in theories of a kinetically mixed dark photon and dark Higgs, with promising prospects for detection at upcoming experiments.

Cosmology↗

Lepto-axiogenesis and the scale of supersymmetry

If the Peccei-Quinn field containing the QCD axion undergoes rotations in the early universe, the dimension-five operator responsible for neutrino masses can generate a lepton asymmetry that ultimately gives rise to the observed baryon asymmetry of the Universe. This lepto-axiogenesis scenario requires a flat potential for the radial direction of the Peccei-Quinn field, naturally realized in supersymmetric models. We carefully compute the efficiency of this mechanism for the Dine-Fischler-Srednicki-Zhitnitsky (DFSZ) and Kim-Shifman-Vainshtein-Zakharov (KSVZ) axion models and place lower bounds on the masses of scalar superpartners required to reproduce the observed baryon asymmetry. For the KSVZ model, we find an efficiency for generation of the asymmetry six times larger than the previously extant computation after including scattering channels involving superpartners. In this case, the superpartner scale should be above 30 TeV for a domain wall number of one; the lower bound weakens for larger domain wall numbers. We find that the superpartner mass scale may also be as low as ~ 30 TeV for the DFSZ model. In all cases, the lower bound on the superpartner masses is inversely proportional to the sum of the squares of the neutrino masses and so can strengthen as the upper bound on the neutrino mass improves. We identify the parameter space where the axion rotation can simultaneously produce axion dark matter via kinetic misalignment; in this case it is possible to put an upper bound of order PeV on the masses of scalar superpartners.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Highest Energy HAWC Sources are Likely Leptonic and Powered by Pulsars

The HAWC Collaboration has observed gamma rays at energies above 56 TeV from a collection of nine sources. It has been suggested that this emission could be hadronic in nature, requiring that these systems accelerate cosmic-ray protons or nuclei up to PeV-scale energies. In this paper, we instead show that the spectra of these objects favor a leptonic (inverse Compton) origin for their emission. More specifically, the gamma-ray emission from these objects can be straightforwardly accommodated within a model in which $\sim \mathcal{O}(10\%)$ of the host pulsar's spindown power is transferred into the acceleration of electrons and positrons with a power-law spectrum that extends to several hundred TeV or higher. The spectral break that is observed among these sources is naturally explained within the context of this simple model, and occurs at the energy where the timescale for energy losses matches the age of the pulsar. In contrast, this spectral feature cannot be straightforwardly accommodated in hadronic scenarios. Furthermore, hadronic models predict that these sources should produce more emission at GeV-scale energies than is observed. In light of these considerations, we conclude that HAWC's highest energy sources should be interpreted as TeV halos or pulsar wind nebulae, which produce their emission through inverse Compton scattering, and are powered by the rotational kinetic energy of their host pulsar.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Flight test results for the Daedalus and Light Eagle human powered aircraft

The results of the flight test program of the Daedalus and Light Eagle human powered aircraft in the winter of 1987/88 are given. The results from experiments exploring the Light Eagle's rigid body and structural dynamics are presented. The interactions of these dynamics with the autopilot design are investigated. Estimates of the power required to fly the Daedalus aircraft are detailed. The system of sensors, signal conditioning boards, and data acquisition equipment used to record the flight data is also described. In order to investigate the dynamics of the aircraft, flight test maneuvers were developed to yield maximum data quality from the point of view of estimating lateral and longitudinal stability derivatives. From this data, structural flexibility and unsteady aerodynamics have been modeled in an ad hoc manner and are used to augment the equations of motion with flexibility effects. Results of maneuvers that were flown are compared with the predictions from the flexibility model. To extend the ad hoc flexibility model, a fully flexible aeroelastic model has been developed. The model is unusual in the approximate equality of many structural natural frequencies and the importance of unsteady aerodynamic effects. the Gossamer Albatross. It is hypothesized that this inverse ground effect is caused by turbulence in the Earth's boundary layer. The diameters of the largest boundary layer eddies (which represent most of the turbulent kinetic energy) are proportional to altitude; thus, closer to the ground, the energy in the boundary layer becomes concentrated in eddies of smaller and smaller diameter. Eventually the eddies become sufficiently small (approximately 0.5 cm) that they trip the laminar boundary layer on the wing. As a result, a greater percentage of the wing area is covered with turbulent flow. Consequently the aircraft's drag and the pow er required both increase as the aircraft flies closer to the ground. The results of the flight test program are examined critically, especially with respect to future applications. Maneuvers that allow the observation of stability derivatives for flexible aircraft are detailed. Considerations for the design of autopilots for future human power aircraft and high-altitude RPV's are discussed. Techniques useful in estimating the power required to fly aircraft of very high lift to drag ratio are described.

Sullivan, R. Bryan↗

Physics-based modeling and data analytics [Slides]

This presentation contains a summary of ongoing work within the physics-based modeling and data analytics work package within the Nuclear Materials Discovery and Qualification initiative (NMDQi). Topics include work on MOOSE-based crystal plasticity, molecular dynamics modeling of recombination in metals and alloys, the MOOSE Stochastic Tools Module, and machine learning and atomistic modeling to predict thermo-kinetic properties of nuclear structural materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗