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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 73 records · Page 4

Accelerating multilevel Markov Chain Monte Carlo using machine learning models

Here, this work presents an efficient approach for accelerating multilevel Markov Chain Monte Carlo (MCMC) sampling for large-scale problems using low-fidelity machine learning models. While conventional techniques for large-scale Bayesian inference often substitute computationally expensive high-fidelity models with machine learning models, thereby introducing approximation errors, our approach offers a computationally efficient alternative by augmenting high-fidelity models with low-fidelity ones within a hierarchical framework. The multilevel approach utilizes the low-fidelity machine learning model (MLM) for inexpensive evaluation of proposed samples thereby improving the acceptance of samples by the high-fidelity model. The hierarchy in our multilevel algorithm is derived from geometric multigrid hierarchy. We utilize an MLM to accelerate the coarse level sampling. Training machine learning model for the coarsest level significantly reduces the computational cost associated with generating training data and training the model. We present an MCMC algorithm to accelerate the coarsest level sampling using MLM and account for the approximation error introduced. We provide theoretical proofs of detailed balance and demonstrate that our multilevel approach constitutes a consistent MCMC algorithm. Additionally, we derive the expression for cost reduction due to machine learning model to facilitate cost analysis of the hierarchical sampling algorithm. Our technique is demonstrated on a standard benchmark inference problem in groundwater flow, where we estimate the probability density of a quantity of interest using a four-level MCMC algorithm. Our proposed algorithm accelerates multilevel sampling by a factor of two while achieving similar accuracy compared to sampling using the standard multilevel algorithm.

97 MATHEMATICS AND COMPUTING↗

Three-body capture, ejection, and the demographics of bound objects in binary systems

ABSTRACT We study the capture of light objects of arbitrary velocity by binary systems. Extending results for the capture of comets in the Solar system, we develop a simple geometric characterization of the capture cross-section, leading directly to the distribution of orbital parameters of captured objects. We use the same framework to study the lifetimes of these bound orbits prior to ejection, and find that a simplified version of the Öpik–Arnold approach readily yields a closed-form estimate for the ejection rate that agrees well with numerical experiments. Without any detailed-balance assumptions, our results make manifest the characteristics of close encounters leading to capture and ejection. As an application of our results, we demonstrate the estimation of the equilibrium population of captured dark matter particles in a binary system.

79 ASTRONOMY AND ASTROPHYSICS↗

Checking nonflow assumptions and results via PHENIX published correlations in p+p, p+Au, d+Au, and 3 He+Au at √ s NN=200 GeV

Recently the PHENIX Collaboration has made available two-particle correlation Fourier coefficients for multiple detector combinations in minimum bias p+p and 0–5% central p+Au, d+Au, and 3 He+Au collisions at √ s NN = 200 GeV [Phys. Rev. C 105, 024901 (2022)]. Using these coefficients for three sets of two-particle correlations, azimuthal anisotropy coefficients v 2 and v 3 are extracted for midrapidity charged hadrons as a function of transverse momentum. In this paper, we use the available coefficients to explore various nonflow hypotheses as well as to compare the results with theoretical model calculations. The nonflow methods fail basic closure tests with ampt and pythia/angantyr, particularly when including correlations with particles in the low multiplicity light-projectile going direction. In data, the nonflow adjusted v 2 results are modestly lower in p+Au and the adjusted v 3 results are more significantly higher in p+Au and d+Au. However, the resulting higher values for the ratio v 3 /v 2 in p+Au at RHIC compared to p+Pb at the LHC is additional evidence for a significant overcorrection. Incorporating these additional checks, the conclusion that these flow coefficients are dominated by initial geometry coupled with final-state interactions (e.g., hydrodynamic expansion of quark-gluon plasma) remains true, and explanations based solely on initial-state glasma are ruled out. The detailed balance between intrinsic and fluctuation-driven geometry and the exact role of weakly versus strongly coupled prehydrodynamic evolution remains an open question for triangular flow, requiring further theoretical and experimental investigation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improved algorithm for dynamical triangulations and simulations of finer lattices

We introduce a new algorithm for the simulation of Euclidean dynamical triangulations that mimics the Metropolis-Hastings algorithm, but where all proposed moves are accepted. This rejection-free algorithm allows for the factorization of local and global terms in the action, a condition needed for efficient simulation of theories with global terms, while still maintaining detailed balance. We test our algorithm on the 2 d Ising model, and against results for EDT obtained with standard Metropolis. Our new algorithm allows us to simulate EDT at finer lattice spacings than previously possible, and we find geometries that resemble semiclassical Euclidean de Sitter space in agreement with earlier results at coarser lattices. The agreement between lattice data and the classical de Sitter solution continues to get better as the lattice spacing decreases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

15.3% AM1.5G Efficiency GaAs Solar Cells Fabricated via an Epitaxy-Free Process

Here, we report simple and potentially low-cost techniques for creating high-quality n-type gallium arsenide (GaAs) and GaAs p/n junctions and fabricate GaAs p/n junction solar cells. Detailed-balance modeling suggests that 20% AM1.5G efficiency p/n homojunction devices may be possible if the surface doping concentration can be limited to values less than ∼ 5 × 10 19 cm −3 . Our process exploits an open-tube, vapor-phase, deposition-free, zinc diffusion technique for forming p-type layers in melt-grown n-GaAs substrates that results in sheet resistances less than 1 kΩ/$\square$. In addition, we have improved the minority carrier diffusion lengths of melt-grown GaAs from less than one micron to over five microns using an open-tube, vacuum-free, annealing process which reduces the density of EL2 midgap defects. Finally, we have combined these advances to fabricate epitaxy-free, GaAs solar cells with a validated AM1.5G efficiency of 15.3%.

14 SOLAR ENERGY↗

Lower bound for the neutrino magnetic moment from kick velocities induced at the birth of neutron stars

We show that the neutrino chirality flip, which can take place in the core of a neutron star at birth, is an efficient process to allow neutrinos to anisotropically escape, thus providing a to induce the neutron star kick velocities. The process is not subject to the no-go theorem since although the flip from left- to right-handed neutrinos happens at equilibrium, the reverse process does not take place given that right-handed neutrinos do not interact with matter and therefore detailed balance is lost. For simplicity, we model the neutron star core as being made of strange quark matter. We find that the process is efficient when the neutrino magnetic moment is not smaller than [Formula: see text], where [Formula: see text] is the Bohr magneton. When this lower bound is combined with the most stringent upper bound, which uses the luminosity data obtained from the analysis of SN 1987A, our results set a range for the neutrino magnetic moment given by [Formula: see text]. The obtained kick velocities for natal conditions are consistent with the observed ones and span the correct range of radii for typical magnetic field intensities.

Physics↗

An approach for the measurement of the bulk temperature of single crystal diamond using an X-ray Free Electron Laser

We present a method to determine the bulk temperature of a single crystal diamond sample at an X-Ray Free Electron Laser using inelastic X-ray scattering. The experiment was performed at the High Energy Density (HED) instrument at the European XFEL GmbH, Germany. The technique, based on inelastic X-ray scattering and the principle of detailed balance, was demonstrated to give accurate temperature measurements, within 8% for both room temperature diamond and heated diamond to 500 K. Here, the temperature was increased in a controlled way using a resistive heater to test theoretical predictions of the scaling of the signal with temperature. The method was tested by validating the energy of the phonon modes with previous measurements made at room temperature using inelastic X-ray scattering and neutron scattering techniques. This technique could be used to determine the bulk temperature in transient systems with a temporal resolution of 50 fs and for which accurate measurements of thermodynamic properties are vital to build accurate equation of state models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hybrid Tandem Photovoltaics

Tandem solar cell structures are the only strategy demonstrated to surpass the detailed balance efficiency limit of high-quality single-junction solar cells. To continue to improve the efficiencies of cost-effective terrestrial solar power, hybrid tandems of dissimilar subcells are being considered by many around the world, especially designs that incorporate silicon solar cells as a bottom subcell. In this project, we studied a wide variety of tandem design possibilities including those with three-terminal (3T) and four-terminal (4T) configurations. The use of 3T and 4T designs could be useful for efficient and economical hybrid tandem designs that utilize the best available subcell materials such as emerging perovskite materials. Three-terminal configurations, in particular, have not been sufficiently studied previously. We have laid the foundational groundwork in this project for understanding the operation of 3T tandems: developing a taxonomy for naming, a methodology for measuring and interconnecting, and models for simply characterizing 3T tandems. Electrical and optical subcell coupling between the subcells was also measured and modeled. An important part of this work was the fabrication of novel example tandem structures, including 4T GaAs/Si, 3T GaInP/Si, 3T GaAs/Si, and 3T GaInP/GaAs devices. Using these high-quality tandem cells, we have been able to clearly demonstrate the achievability of high-efficiencies, and subtle physical effects such as photon recycling and luminescent coupling. We have developed and demonstrated essential building-block tools such as transparent conductive adhesives (TCA) and 3T silicon bottom cells with interdigitated back contacts (IBC) that can also be used in many other tandem designs. We have tested the reliability of these tools and devices under standardized testing and outdoor measurements. We have found 4T GaAs/Si tandems to be relatively straightforward to fabricate and robust in real-world outdoor conditions. While we have demonstrated working hybrid 3T III-V/TCA/Si IBC tandems, we experienced low yields even with our best process flows yet. Further work is still needed to improve the processing yield of these devices. We therefore also created tandem cells using an all-III-V 3T tandem process which was very robust with high yields, allowing for the creation of voltage-matched strings in many different configurations using 8 nearly identical 3T tandems. Using these robust 3T tandem examples, we were able measure and precisely characterize 3T tandem behaviors to predict their operation under changing spectrum and temperature. The optoelectronic equivalent-circuit model was shown to be very general and applicable to hybrid tandems, and encompassed the operation 3T Si IBC cells. This general model has been distributed to the public in as open-source Python-based software called PVcircuit. We have calculated the implications of these new tandem device designs on the real-world energy production and shown how the relative performance of different tandem configurations is situational and can be engineered using the tools developed here.

14 SOLAR ENERGY↗

Photonic Luminescent Solar Concentrator Design for High Efficiency, Low Cost Multijunction Photovoltaics

Despite the extraordinary advances in solar cell efficiency in laboratory settings, the deployment of solar cells continues to be limited to low efficiency (<25%) silicon cells because of cost. In this work, we take advantage of the extraordinary optical properties afforded by nanophotonic structures to create a photonic luminescent solar concentrator for an InGaP-Si multijunction concentrator cell. Finite difference time domain (FDTD) simulations demonstrated a concentrator that could effectively capture, downconvert, and guide concentrated light to an InGaP subcell while still transmitting longer wavelengths to a Si subcell. We fabricated the photonic luminescent solar concentrator, which was comprised of CdSe/CdS quantum dots embedded within alternating layers of Si 3 N 4 and SiO 2 , and experimentally verified the optical performance, showing a 40% increase in light guiding and a significant reduction in reabsorption losses in the plane of the luminescent concentrator as compared to traditional designs. Finally, we utilized modified detailed balance calculations that accounted for cell and optical losses and showed >30% efficiencies are possible with this design, demonstrating the potential to meet the demands for high efficiency, inexpensive solar modules.

Eisler, Carissa N.↗

Sensitivity of Neutron-Rich Nuclear Isomer Behavior to Uncertainties in Direct Transitions

Nuclear isomers are populated in the rapid neutron capture process (r process) of nucleosynthesis. The r process may cover a wide range of temperatures, potentially starting from several tens of GK (several MeV) and then cooling as material is ejected from the event. As the r-process environment cools, isomers can freeze out of thermal equilibrium or be directly populated as astrophysically metastable isomers (astromers). Astromers can undergo reactions and decays at rates very different from the ground state, so they may need to be treated independently in nucleosythesis simulations. Two key behaviors of astromers—ground state ↔ isomer transition rates and thermalization temperatures—are determined by direct transition rates between pairs of nuclear states. We perform a sensitivity study to constrain the effects of unknown transitions on astromer behavior. Detailed balance ensures that ground → isomer and isomer → ground transitions are symmetric, so unknown transitions are equally impactful in both directions. We also introduce a categorization of astromers that describes their potential effects in hot environments. We provide a table of neutron-rich isomers that includes the astromer type, thermalization temperature, and key unmeasured transition rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

pynucastro: A Python Library for Nuclear Astrophysics

We describe pynucastro 2.0, an open-source library for interactively creating and exploring astrophysical nuclear reaction networks. We demonstrate new methods for approximating rates and use detailed balance to create reverse rates, show how to build networks and determine whether they are appropriate for a particular science application, and discuss the changes made to the library over the past few years. Finally, we demonstrate the validity of the networks produced and share how we use pynucastro networks in simulation codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nonequilibrium boundary layer at a stagnation point for a hydrogen-helium stream over ablating graphite

The nonequilibrium axisymmetric stagnation point boundary layer over an ablating graphite surface is considered. The external stream is a high temperature mixture of hydrogen and helium. Variable thermodynamic and transport properties are assumed. Lennard-Jones potential model is used to calculate the transport coefficients of each species. Although the mixture rules for viscosity of the gas mixture are used, the weighting functions are more sophisticated than those commonly employed. For the conductivity of the mixture, generalized Wassiljewa coefficients are used. Seven species with 28 dissociation/recombination reactions are considered. Hansen's model for the dissociation rate constants is employed. The recombination rate constants are obtained by invoking detailed balance principles assisted by the JANAF thermodynamic data and the Hansen-Pearson thermodynamic data for C3.

Liu, T.-M.↗

Li production in alpha-alpha reactions

The cross section for Li-7 production in alpha-alpha reactions is shown to be increased by about a factor of 2 due to the excitation levels of Li-7 and Be-7 at 478 keV and 431 keV, respectively. The cross section for Li-6 production, however, remains the same as calculated on the basis of the detailed balance principle. The lines at 478 keV and 431 keV may link Li-7 production to feasible gamma-ray observations.

Kozlovsky, B.↗

Scattering of 4.5 eV electrons by ground /x 3 Sigma g minus/ state and metastable /a 1 Delta g/ oxygen molecules

The paper reports on differential and integral cross sections for scattering of 4.5 eV electrons by ground state (x 3 Sigma g minus) and metastable (a 1 Delta g) oxygen molecules in the -2.0 eV to plus 2.0 eV energy loss range. The cross section for the (a 1 Delta g to b 1 Sigma g plus) transition was found to be more than an order of magnitude larger than that of the excitation of the b state from the ground state. It was found that the principle of detailed balance can be applied to the rotationally unresolved inelastic and superelastic electronic transitions between the (x 3 Sigma g minus) and (a 1 Delta g) states, which indicates that for this transition one may neglect the very different rotational level structure of the two states in estimating superelastic cross section from inelastic data to an accuracy of about 15 per cent.

Hall, R. I.↗

Calculation of radiative properties of nonequilibrium hydrogen plasma

A computer program called NEQRAP is described that calculates the radiative properties of nonequilibrium ionized hydrogen. From the given electron temperature, electron density, and atom density values (which do not necessarily satisfy the equilibrium relationship) and intensities of incident radiation, the non-Boltzmann populations of electronic states are computed by solving the equation of quasi-steady-state population distribution. Emission and absorption coefficients are determined as functions of wavelength by invoking the principle of detailed balance between the upper and lower states of each radiative transition. Radiative transport through the medium is computed assuming a one-dimensional uniform slab. The rate of ionic reaction is also computed. When used on a sample case, the program shows that there is a large difference between the calculated intensities of radiation emitted by a bulk of equilibrium and nonequilibrium hydrogen. The accuracy of the program is estimated to be better than 10%.

Park, C.↗

An extended soft-cube model for the thermal accommodation of gas atoms on solid surfaces

A numerical soft cube model was developed for calculating thermal accommodation coefficients alpha and trapping fractions f sub t for the interaction of gases incident upon solid surfaces. A semiempirical correction factor c which allows the calculation of alpha and f sub t when the collision times are long compared to the surface oscillator period were introduced. The processes of trapping, evaporation, and detailed balancing were discussed. The numerical method was designed to treat economically and with moderate (+ or - 20 percent) accuracy the dependence of alpha and f sub t on finite and different surface and gas temperatures for a large number of gas/surface combinations. Comparison was made with experiments of rare gases on tungsten and on alkalis, as well as one astrophysical case of H2 on graphite. The dependence of alpha on the soft cube dimensionless parameters is presented graphically.

Burke, J. R.↗

Far-infrared observations of shocked CO in Orion

The J = 27-26 and J = 30-29 transitions of CO have been detected in the Orion molecular cloud. These detections, together with an improved measurement of the J = 21-20 transition, allow estimation of the temperature and density of the shocked material and the fractional abundance of CO. By solving the equations of detailed balance for J less than or equal to 50 and fitting the data to a two-component model consistent with earlier 2-micron and 12-micron H2 observations, it is shown that the hot (2000 K) component has a density of approximately 1.0 x 10 to the 6th/cu cm, while the cooler component lies in the range of 400-1000 K and is 2-5 times more dense. Approximately 25% of the carbon is in the form of CO. The spatial extent of the hot CO has also been examined by observing the J = 21-20 transition at a number of positions, and it is found to be distributed similarly to the H2 lines. In addition, a search for J = 21-20 and J = 22-21 CO emission from six other sources has resulted in 3-standard-deviation upper limits of a factor of 10 below the intensity of the Orion lines.

Storey, J. W. V.↗