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At least 379 records · Page 21

Quantum Entanglement Molecular Absorption Spectrum Simulator

Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

Nguyen, Quang-Viet↗

Is there an exact magnetic moment for charged particle motion in a time-dependent, homogeneous magnetic field?

The non-perturbative guiding-centre model provides an exact alternative to full-orbit simulations of charged particle dynamics in situations where traditional guiding-centre theory may fail. We demonstrate that the charged particle motion in a homogeneous, time-varying magnetic field is a solvable example of the non-perturbative guiding-centre model. This entails showing that the exact magnetic moment of Qin and Davidson can be constructed to be asymptotic to the adiabatic invariant series of Kruskal. In contrast to the perturbative invariant, the exact invariant contains information about parametric resonances. These resonances destroy the conservation of the usual magnetic moment over very long times. This refutes some previous claims about the all-time invariance of the magnetic moment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermostructural Analysis of Carbon Cloth Phenolics "Ply Lifting" and Correlation to LHMEL Test Results

This paper provides a discussion of the history of Carbon Cloth Phenolic (CCP) ply lifting in the Redesigned Solid Rocket Motor (RSRM) Program, a brief presentation of theoretical methods used for analytical evaluation, and results of parametric analyses of CCP material subject to test conditions of the Laser Hardened Material Evaluation Laboratory. CCP ply lift can occur in regions of the RSRM nozzle where ply angle to flame surface is generally less than about 20 degrees. There is a heat rate dependence on likelihood and severity of the condition with the higher heating rates generally producing more ply lift. The event occurs in-depth, near the heated surface, where the load necessary to mechanically separate the CCP plies is produced by the initial stages of pyrolysis gas generation due to the thermal decomposition of the phenolic resin matrix. Due to the shallow lay-up angle of the composite, normal components of the indepth mechanical load, due to "pore pressure", are imparted primarily as a cross-ply tensile force on the interlaminar ply boundaries. Tensile capability in the cross-ply (out of plane) direction is solely determined by the matrix material capability. The elevated temperature matrix material capabilities are overcome by pressure induced mechanical normal stress and ply-lift occurs. A theoretical model used for CCP in-depth temperature, pressure, and normal stress prediction, based on first principles, is briefly discussed followed by a parametric evaluation of response variables subject to boundary conditions typical of on-going test programs at the LHMEL facility. Model response demonstrates general trends observed in test and provides insight into the interactivity of material properties and constitutive relationships.

Clayton, Louie↗

Code for the manuscript "Lagrangian Large Eddy Simulations vis Physics-informed Machine Learning"

We would like to disclose a code based on Python/Pytorch, in which we implement the data-driven physics-informed machine learning of Lagrangian large eddy simulation that is described in the manuscript "Lagrangian Large Eddy Simulations via Physics-Informed Machine Learning ". High-Reynolds number Homogeneous Isotropic Turbulence is fully described within the Navier-Stokes (NS) equations, which are notoriously difficult to solve numerically. Engineers, interested primarily in describing turbulence at a reduced range of resolved scales, have designed heuristics, known as Large Eddy Simulation (LES). LES is described in terms of the temporally evolving Eulerian velocity field defined over a spatial grid with the mean-spacing correspondent to the resolved scale. This classic Eulerian LES depends on assumptions about the effects of sub-grid scales on the resolved scales. Here, we take an alternative approach and design novel LES heuristics stated in terms of Lagrangian particles moving with the flow. Our \emph{Lagrangian LES}, thus L-LES, is described by equations generalizing the weakly compressible Smoothed Particle Hydrodynamics formulation with extended parametric and functional freedom, which is then resolved via Machine Learning training on Lagrangian data from Direct Numerical Simulations of the NS equations. The L-LES model includes physics-informed parameterization and functional form, by combining physics-based parameters and physics-inspired Neural Networks to describe the evolution of turbulence within the resolved range of scales. The sub-grid scale contributions are modeled separately with physical constraints to account for the effects from un-resolved scales. We build the resulting model under the Differentiable Programming framework to facilitate efficient training. We experiment with loss functions of different types, including physics-informed ones accounting for statistics of Lagrangian particles. We show that our Lagrangian LES model is capable of reproducing Eulerian and unique Lagrangian turbulence structures and statistics over a range of turbulent Mach numbers.

Tian, Yifeng↗

Non-Electricity Based Renewable Fuels: Theory and Computation for Solar Thermochemical Hydrogen

Dominated by photovoltaics and wind, current renewable energy sources generate mostly electricity, but 80% of the global final energy consumption occurs in form of fuels. Therefore, direct solar fuel generation would be a major breakthrough for the energy transition. Solar thermochemical hydrogen (STCH) is one of the very few potential routes towards scalable renewable fuels, but currently suffers from lack of an oxide working material that could optimally perform energy conversion within the thermodynamic boundary conditions. Theory and computation can contribute in two distinct ways, through materials search and discovery, but also by providing detailed mechanistic models for specific systems so to advance our understanding of possible design strategies. To enable high-throughput materials screening, we developed a defect graph neural network (dGNN) machine learning approach,[1] which accelerates the prediction of defect formation energies by replacing the tedious density functional theory (DFT) supercell calculations for all possible defect sites. This approach enables high-throughput database screening of oxides, which was integrated with thermodynamic modeling to extract the reduction entropies as additional selection criterion for STCH. Once potential candidate materials are identified, detailed models can guide materials design by predicting performance characteristics. One challenge is to quantitatively predict thermochemical equilibria at high concentrations when the redox active defects start to interact with each other, thereby impeding the formation of additional defects. Introducing a model for the free energy of defect interaction, parametrized on the basis of DFT data, we simulated the complete STCH redox cycle for (Sr,Ce)MnO3 alloys, achieving near-quantitative agreement with experimental data.[2] The analysis of these simulations reveals how defect interactions diminish the reduction entropy and H2 yield, suggesting to include these interactions in design considerations. Finally, we revisit the popular van't Hoff method for analyzing reduction enthalpies and entropies. This method is not ideal, as it involves a temperature-dependent convolution of gas-phase and solid-state entropies, causing uncertainties in the same order of magnitude as the physical quantities of interest. To avoid this problem, we suggest a simple alternative approach which can be applied to experimental and simulated data alike.

first-principles calculations↗

Standard Model prediction of the Bc lifetime

Applying an operator product expansion approach we update the Standard Model prediction of the B c lifetime from over 20 years ago. The non-perturbative velocity expansion is carried out up to third order in the relative velocity of the heavy quarks. The scheme dependence is studied using three different mass schemes for the b ¯ and c quarks, resulting in three different values consistent with each other and with experiment. Special focus has been laid on renormalon cancellation in the computation. Uncertainties resulting from scale dependence, neglecting the strange quark mass, non-perturbative matrix elements and parametric uncertainties are discussed in detail. The resulting uncertainties are still rather large compared to the experimental ones, and therefore do not allow for clear-cut conclusions concerning New Physics effects in the B c decay.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fisher for complements: extracting cosmology and neutrino mass from the counts-in-cells PDF

In this work, we comprehensively analyse the cosmology dependence of counts-in-cells statistics. Furthermore, we focus on the shape of the one-point probability distribution function (PDF) of the matter density field at mildly non-linear scales. Based on large-deviation statistics, we parametrize the cosmology dependence of the matter PDF in terms of the linear power spectrum, the growth factor, the spherical collapse dynamics, and the non-linear variance. We extend our formalism to include massive neutrinos, finding that the total matter PDF is highly sensitive to the total neutrino mass Mν and can disentangle it from the clustering amplitude σ 8 . Additionally, using more than a million PDFs extracted from the Quijote simulations, we determine the response of the matter PDF to changing parameters in the νΛCDM model and successfully cross-validate the theoretical model and the simulation measurements. We present the first νΛCDM Fisher forecast for the matter PDF at multiple scales and redshifts, and its combination with the matter power spectrum. We establish that the matter PDF and the matter power spectrum are highly complementary at mildly non-linear scales. The matter PDF is particularly powerful for constraining the matter density Ωm, clustering amplitude σ 8 and the total neutrino mass Mν. Adding the mildly non-linear matter PDF to the mildly non-linear matter power spectrum improves constraints on Ω m by a factor of 5 and σ 8 by a factor of 2 when considering the three lowest redshifts. In our joint analysis of the matter PDF and matter power spectrum at three redshifts, the total neutrino mass is constrained to better than 0.01 eV with a total volume of 6 (Gpc h -1 ) 3 . We discuss how density-split statistics can be used to translate those encouraging results for the matter PDF into realistic observables in galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Chandra spectral measurements of the O supergiant ζ Puppis indicate a surprising increase in the wind mass-loss rate over 18 yr

New long Chandra grating observations of the O supergiant ζ Pup show not only a brightening of the X-ray emission line flux of 13 per cent in the 18 yr since Chandra’s first observing cycle, but also clear evidence – at more than 4σsignificance – of increased wind absorption signatures in its Doppler-broadened line profiles. We demonstrate this with non-parametric analysis of the profiles as well as Gaussian fitting and then use line-profile model fitting to derive a mass-loss rate of 2.47±0.09×10−6Myr−1, which is a 40 per cent increase over the value obtained from the cycle 1 data. The increase in the individual emission line fluxes is greater for short-wavelength lines than long-wavelength lines, as would be expected if a uniform increase in line emission is accompanied by an increase in the wavelength-dependent absorption by the cold wind in which the shock-heated plasma is embedded.

David H. Cohen↗

A two-dimensional model of the plasmasphere - Refilling time constants

A 2D model of the plasmasphere has been developed to study the temporal evolution of plasma density in the equatorial plane of the magnetosphere. This model includes the supply and loss of hydrogen ions due to ionosphere-magnetosphere coupling as well as the effects of E x B convection. A parametric model describing the required coupling fluxes has been developed which utilizes empirical models of the neutral atmosphere, the ionosphere and the saturated plasmasphere. The plasmaspheric model has been used to examine the time it takes for the plasmasphere to refill after it has been depleted by a magnetic storm. The time it takes for the plasmasphere to reach 90 percent of its equilibrium level ranges from 3 days at L = 3 during solar minimum to as high as 100 days at L = 5 during solar maximum. Refilling is also dependent on the month of the year, with refilling requiring a longer period of time at solar maximum during June than during December for L greater than 3.2.

Rasmussen, Craig E.↗

Numerical Experiments of Counterflowiing Jet Effects on Supersonic Slender-Body Configurations

Previous studies have demonstrated that the use of counterflowing jets can greatly reduce the drag and heat loads on blunt-body geometries, especially when the long penetration mode jet condition can be established. Previously, the authors had done some preliminary numerical studies to determine the ability to establish long penetration mode jets on a typical Mach 1.6 slender configuration, and study its impact on the boom signature. The results indicated that a jet with a longer penetration length was required to achieve any impact on the boom signature of a typical Mach 1.6 slender configuration. This paper focuses on an in-depth parametric study, done using the space-time conservation element solution element Navier-Stokes flow solver, for investigating the effect of various counterflowing jet conditions/configurations on two supersonic slender-body models (cone-cylinder and quartic body of revolution). The study is aimed at gaining a better understanding of the relationship between the shock penetration length and reduction of drag and boom signature for these two supersonic slender-body configurations. Different jet flow rates, Mach numbers, nozzle jet exit diameters and jet-to-base diameter ratios were examined. The results show the characteristics of a short-to-long-to-short penetration-mode pattern with the increase of jet mass flow rates, observed across various counterflowing jet nozzle configurations. Though the optimal shock penetration length for potential boom-signature mitigation is tied to the long penetration mode, it often results in a very unsteady flow and leads to large oscillations of surface pressure and drag. Furthermore, depending on the geometry of the slender body, longer jet penetration did not always result in maximum drag reduction. For the quartic geometry, the maximum drag reduction corresponds well to the longest shock penetration length, while this was not the case for the cone-cylinder-as the geometry was already optimized for drag. Numerical results and assessments obtained from this parametric study along with the recommendation for future implementation of counterflowing jets as a means for drag and noise reduction are detailed in this paper.

Venkatachari, Balaji Shankar↗

Improved semiclassical model for real-time evaporation of matrix black holes

In this paper, we study real-time classical matrix mechanics of a simplified 2 × 2 matrix model inspired by the black hole evaporation problem. This is a step towards making a quantitative model of real-time evaporation of a black hole, which is realized as a bound state of D0-branes in string theory. The model we study is the reduction of Yang–Mills in 2 + 1 dimension to 0 + 1 dimensions, which has been corrected with an additional potential that can be interpreted as a zero-point energy for fermions. Our goal is to understand the lifetime of such a classical bound state object in the classical regime. To do so, we pay particular attention to when D-particles separate to check that the “off-diagonal modes” of the matrices become adiabatic and use that information to improve on existing models of evaporation. It turns out that the naive expectation value of the lifetime with the fermionic correction is infinite. This is a logarithmic divergence that arises from very large excursions in the separation between the branes near the threshold for classical evaporation. The adiabatic behavior lets us get some analytic control of the dynamics in this regime to get this estimate. This divergence is cutoff in the quantum theory due to quantization of the adiabatic parameter, resulting in a long lifetime of the bound state, with a parametric dependence of order log(1/ℏ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Estimation of high temperature low cycle fatigue on the basis of inelastic strain and strainrate

Fatigue life at elevated temperature can be predicted by introducing parametric values obtained from monotonic constitutive behavior into the Universal-Slopes Equation. For directionally solidified MAR-M200+HF at 975 C, these parameters are the maximum stress achievable under entirely plastic (time-independent) and purely creep (time-dependent) conditions and the corresponding inelastic strains, as well as the elastic modulus. For materials which exhibit plasticity/creep interaction, two more pairs of monotonic parameters must be evaluated for fatigue life prediction. This life-prediction method based on the Universal-Slopes Equation, resulted from a constitutive model characterizing monotonic and cyclic data as inelastic strainrate as a function of inelastic strain. Characterizing monotonic data is this way, permitted distinction between different material responses such as strain-hardening, strain-softening, and dynamic recovery effects. Understanding and defining the region of influence of each of these effects facilitated formulation of the constitutive model in relation to the mechanical and microstructural processes occurring in the material under cyclic loading.

Berkovits, A.↗

On reflection of Alfven waves in the solar wind

We have revisited the problem of propagation of toroidal and linear Alfven waves formulated by Heinemann and Olbert (1980) to compare WKB and non-WKB waves and their effects on the solar wind. They considered two solar wind models and showed that reflection is important for Alfven waves with periods of the order of one day and longer, and that non-WKB Alfven waves are no more effective in accelerating the solar wind than WKB waves. There are several recently published papers which seem to indicate that Alfven waves with periods of the order of several minutes should be treated as non-WKB waves and that these non-WKB waves exert a stronger acceleration force than WKB waves. The purpose of this paper is to study the origin of these discrepancies by performing parametric studies of the behavior of the waves under a variety of different conditions. In addition, we want to investigate two problems that have not been addressed by Heinemann and Olbert, namely, calculate the efficiency of Alfven wave reflection by using the reflection coefficient and identify the region of strongest wave reflection in different wind models. To achieve these goals, we investigated the influence of temperature, electron density distribution, wind velocity and magnetic field strength on the waves. The obtained results clearly demonstrate that Alfven wave reflection is strongly model dependent and that the strongest reflection can be expected in models with the base temperatures higher than 10(exp 6) K and with the base densities lower than 7 x 10(exp 7) cm(exp -3). In these models as well as in the models with lower temperatures and higher densities, Alfven waves with periods as short as several minutes have negligible reflection so that they can be treated as WKB waves; however, for Alfven waves with periods of the order of one hour or longer reflection is significant, requiring a non-WKB treatment. We also show that non-WKB, linear Alfven waves are always less effective in accelerating the plasma than WKB Alfven waves. Finally, it is evident from our results that the region of strongest wave reflection is usually located at the base of the models, and hence that interpretation of wave reflection based solely on the reflection coefficient can be misleading.

Krogulec, M.↗

Reflection of Alfven waves in the solar wind

We have revisited the problem of propagation of toroidal and linear Alfven waves formulated by Heinemann and Olbert (1980) to compare Wentzel-Kramers-Brillouin (WKB) and non-WKB waves and their effects on the solar wind. They considered two solar wind models and showed that reflection is important for Alfven waves with periods of the order of one day and longer and that non-WKB Alfven waves are no more effective in accelerating the solar wind than in WKB waves. There are several recently published papers that seem to indicate that Alfven waves with periods of the order of several minutes should be treated as non-WKB waves and that these non-WKB waves exert a stronger acceleration force than WKB waves. The purposse of this paper is to study the origin of these discrepancies by performing parametric studies of the behavior of the waves under a variety of different conditions. In addition, we want to investigate two problems that have not been addressed by Heinimann and Olbert, namely, calculate the efficieny of Alfven wave reflection by using the reflection coefficient and identfy the region of strongest wave reflection in different wind models. To achieve these goals, we investigate the influence of temperature, electron desity distribution, wind velocity, and magnetic field strength on te waves. The obtained results clearly demonstrate that Alfven wave reflection is strongly model dependent and that the strongest reflection can be expected in models with the base temperatures higher than 10(exp 6) K and with the base densities lower than 7 x 10(exp 7)/cu cm. In these models as well as in the models with lower temperatures and higher densities Alfven waves with periods as short as several minutes have negligible reflection so that they can be treated as WKB waves; however, for Alfven waves with periods of the order of one hour or longer reflection is significant, requiring a non-WKB treatment. We also show that non-WKB, linear Alfven waves are always less effective in accelerating the plasma than WKB Alfven waves. Finally, it is evident from our results that the region of strongest wave reflection is usually located at the base of the models and hence that interpretation of wave reflection based soley on the reflection coefficient can be misleading.

Krogulec, M.↗

A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil

As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.

Lane, John E.↗

Parametric Study of Afterbody/nozzle Drag on Twin Two-dimensional Convergent-divergent Nozzles at Mach Numbers from 0.60 to 1.20

An investigation has been conducted in the Langley 16-Foot Transonic Tunnel to determine the effects of upper and lower external nozzle flap geometry on the external afterbody/nozzle drag of nonaxisymmetric two-dimensional convergent-divergent exhaust nozzles having parallel external sidewalls installed on a generic twin-engine, fighter-aircraft model. Tests were conducted over a Mach number range from 0.60 to 1.20 and over an angle-of-attack range from -5 to 9 deg. Nozzle pressure ratio was varied from jet off (1.0) to approximately 10.0, depending on Mach number.

Pendergraft, Odis C., Jr.↗

First-principles modeling of plasmons in aluminum under ambient and extreme conditions

The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic scattering diagnostics in many experiments. In this work, we highlight the utility of linear response time-dependent density functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties. We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure to capture the complicated physics contained in the dynamic structure factor in its full breadth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predicting Maximum Temperatures of a Li-ion Battery on a Simulated Flight Profile using a Model-based Prognostics

One of the challenges in using Li-ion packs in aeronautics is their safety, and thermal runaway (TR) is a major concern. The current engineering solutions to prevent a Li-ion pack from a catastrophic TR require additional mass and volume to isolate cells. The excess mass could be reduced by improving detection and, thus, preventing a TR event. One of the possible early warning indicators of a TR is crossing a threshold temperature. We have developed an approach, based on the Unscented Kalman Filter (UKF), to predict the likelihood of reaching the threshold temperature for simulated flight profiles. The current battery prognostics algorithms for aerospace predict state-of-charge (SOC) and end-of-life (EOL) [1]. We extended this two-level algorithm to predict the maximum temperature during discharge. The amount of heat generated in a cell depends on factors such as cell chemistry, cell packaging, total cycles, operating temperature, and abuse history [2]. Our semi-empirical thermal model depends on three phenomenological parameters which account for those factors. In addition, a two-parameter reduced-order model is developed to predict the temperature rise for short bursts of “random-walk” (RW) discharge current sequence, which simulates a flight's current-loading profile. The performance of these models on different datasets and types of current loading will be presented. To predict the maximal temperatures for future cycles we must estimate the evolution of thermal parameters as the batteries age. It is found that the parameters of the 3-parametric thermal model cannot be estimated only from the RW data. To address the issue, we will present two alternative approaches: i) expanding the datasets to include discharge profiles beyond RWs; ii) model reduction to a two-parametric model. The two approaches will be illustrated by an application to the cycling data from a commercial LG 18650 cell. References: 1. M. Daigle, C.S. Kulkarni, End-of-discharge and End-of-life Prediction in Lithium-ion Batteries with Electrochemistry-based Aging Models, in: AIAA Infotech @ Aerospace, American Institute of Aeronautics and Astronautics, San Diego, California, USA, 2016. 2. M. Börner, et. al, Correlation of aging and thermal stability of commercial 18650-type lithium ion batteries, Journal of Power Sources. 342 (2017) 382–392.

Thermal runaway↗