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Results for “Yield Modeling”

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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Exploring atmospheres of hot mini-Neptune and extrasolar giant planets orbiting different stars with application to HD 97658b, WASP-12b, CoRoT-2b, XO-1b, and HD 189733b

We calculated an atmospheric grid for hot mini-Neptune and giant exoplanets that links astrophysical observable parameters—orbital distance and stellar type—with the chemical atmospheric species expected. The grid can be applied to current and future observations to characterize exoplanet atmospheres and serves as a reference to interpret atmospheric retrieval analysis results. To build the grid, we developed a one-dimensional code for calculating the atmospheric thermal structure and linked it to a photochemical model that includes disequilibrium chemistry (molecular diffusion, vertical mixing, and photochemistry). We compare the thermal profiles and atmospheric composition of planets at different semimajor axes (0.01 AU ≤ a ≤ 0.1 AU) orbiting F, G, K, and M stars. Temperature and UV flux affect chemical species in the atmosphere. We explore which effects are due to temperature and which are due to stellar characteristics, showing the species most affected in each case. CH{sub 4} and H{sub 2}O are the most sensitive to UV flux, H displaces H{sub 2} as the most abundant gas in the upper atmosphere for planets receiving a high UV flux. CH{sub 4} is more abundant for cooler planets. We explore vertical mixing, to inform degeneracies on our models and in the resulting spectral observables. For lower pressures, observable species like H{sub 2}O or CO{sub 2} can indicate the efficiency of vertical mixing, with larger mixing ratios for a stronger mixing. By establishing the grid, testing the sensitivity of the results, and comparing our model to published results, our paper provides a tool to estimate what observations could yield. We apply our model to WASP-12b, CoRoT-2b, XO-1b, HD189733b, and HD97658b.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Tunable power law in the desynchronization events of coupled chaotic electronic circuits

We study the statistics of the amplitude of the synchronization error in chaotic electronic circuits coupled through linear feedback. Depending on the coupling strength, our system exhibits three qualitatively different regimes of synchronization: weak coupling yields independent oscillations; moderate to strong coupling produces a regime of intermittent synchronization known as attractor bubbling; and stronger coupling produces complete synchronization. In the regime of moderate coupling, the probability distribution for the sizes of desynchronization events follows a power law, with an exponent that can be adjusted by changing the coupling strength. Such power-law distributions are interesting, as they appear in many complex systems. However, most of the systems with such a behavior have a fixed value for the exponent of the power law, while here we present an example of a system where the exponent of the power law is easily tuned in real time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

B{yields}X{sub s}{gamma} constraints on the top quark anomalous t{yields}c{gamma} coupling

Observation of the top quark flavor changing neutral process t{yields}c+{gamma} at the LHC would be the signal of physics beyond the standard model. If anomalous t{yields}c{gamma} coupling exists, it will affect the precisely measured B(B{yields}X{sub s}{gamma}). In this paper, we study the effects of a dimension 5 anomalous tc{gamma} operator in B{yields}X{sub s}{gamma} decay to derive constraints on its possible strength. It is found that, for real anomalous t{yields}c{gamma} coupling {kappa}{sub tcR}{sup {gamma}}, the constraints correspond to the upper bounds B(t{yields}c+{gamma})<6.54x10{sup -5} (for {kappa}{sub tcR}{sup {gamma}}>0) and B(t{yields}c+{gamma})<8.52x10{sup -5} (for {kappa}{sub tcR}{sup {gamma}}<0), respectively, which are about the same order as the 5{sigma} discovery potential of ATLAS (9.4x10{sup -5}) and slightly lower than that of CMS (4.1x10{sup -4}) with 10 fb{sup -1} integrated luminosity operating at {radical}(s)=14 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Intermediate-mass Asymptotic Giant Branch Stars and Sources of {sup 26}Al, {sup 60}Fe, {sup 107}Pd, and {sup 182}Hf in the Solar System

We explore the possibility that the short-lived radionuclides {sup 26}Al, {sup 60}Fe, {sup 107}Pd, and {sup 182}Hf inferred to be present in the proto-solar cloud originated from 3–8 M{sub ⊙} asymptotic giant branch (AGB) stars. Models of AGB stars with initial mass above 5 M{sub ⊙} are prolific producers of {sup 26}Al owing to hot bottom burning (HBB). In contrast, {sup 60}Fe, {sup 107}Pd, and {sup 182}Hf are produced by neutron captures: {sup 107}Pd and {sup 182}Hf in models ≲5 M{sub ⊙}, and {sup 60}Fe in models with higher mass. We mix stellar yields from solar-metallicity AGB models into a cloud of solar mass and composition to investigate whether it is possible to explain the abundances of the four radioactive nuclides at the Sun’s birth using one single value of the mixing ratio between the AGB yields and the initial cloud material. We find that AGB stars that experience efficient HBB (⩾6 M{sub ⊙}) cannot provide a solution because they produce too little {sup 182}Hf and {sup 107}Pd relative to {sup 26}Al and {sup 60}Fe. Lower-mass AGB stars cannot provide a solution because they produce too little {sup 26}Al relative to {sup 107}Pd and {sup 182}Hf. A self-consistent solution may be found for AGB stars with masses in between (4–5.5 M{sub ⊙}), provided that HBB is stronger than in our models and the {sup 13}C(α, n){sup 16}O neutron source is mildly activated. If stars of M<5.5 M{sub ⊙} are the source of the radioactive nuclides, then some basis for their existence in proto-solar clouds needs to be explored, given that the stellar lifetimes are longer than the molecular cloud lifetimes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Importance of residence-time control of industrial screw-conveying reactors: Application to dilute-acid hydrolysis of biomass

Horizontal screw reactors are utilized in biorefineries for acid-catalyzed hydrolysis of xylan, which is a multi-step chemical reaction requiring accurate residence-time control. However, it is difficult to obtain online analytical measurement of reactant species. In this work, a residence-time distribution (RTD) is exhibited whose characteristics influence species yields. Sensitivity of product yield to RTD was investigated to understand the relative importance of operating control vs. inherent reactor dispersion. We find that reactor operation using a commonly used theoretical residence-time relationship can result in substantial yield losses. Instead, a model that accounts for the actual reactor RTD provides much improved results. The dispersion caused by reactor conditions only slightly hinders achieving theoretical optimal xylose yield (less than 3% yield loss for coefficient of variation less than 0.35), provided a validated RTD model is used to target the desired mean residence-time. In contrast, neglecting to account for the RTD by using the simplistic theoretical calculation results in xylose yields that are as much as 16% lower than the theoretical maximum.

09 BIOMASS FUELS↗
DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A theoretical study of solid solution strengthening in the refractory medium entropy alloy Nb 45 Ta 25 Ti 15 Hf 15

The refractory medium-entropy alloy (RMEA) Nb 45 Ta 25 Ti 15 Hf 15 exhibits exceptional tensile ductility and fracture toughness at ambient temperature, but its engineering applications are limited by a lack of high temperature strength. Using a machine-learning interatomic potential (MLIP) with near-density functional theory (DFT) accuracy, we conducted molecular dynamics (MD) and statics simulations of the behavior of dislocations with both screw and edge characters. We also analyze experimentally measured yield strengths using the Rao-Suzuki model and the Maresca-Curtin model modified to include a temperature-dependent shear modulus and a bulk modulus-dependent misfit volume, thereby uncovering the mechanisms underlying the yielding of this RMEA. Compared with the published experimental yield strength, the models parameterized by the MLIP effectively reproduce the experimental results over a wide temperature range. The models and MD simulations indicate that yielding is governed by screw dislocations, with dipole dragging as the dominant mechanism. In MD simulations, we observed a potential softening mechanism not considered by the Rao-Suzuki screw model: slow migration of interstitial jogs along the dislocation core, which could lead to the annihilation of vacancy and interstitial jog pairs by their combination.

BCC complex concentrated alloys↗
DOE OSTI2019

Progenitors and explosion properties of supernova remnants hosting central compact objects: I. RCW 103 associated with the peculiar source 1E 161348−5055

ABSTRACT We present a Chandra and XMM–Newton imaging and spectroscopic study of the supernova remnant (SNR) RCW 103 (G332.4−00.4) containing the central compact object 1E 161348−5055. The high-resolution Chandra X-ray images reveal enhanced emission in the south-eastern and north-western regions. Equivalent width line images of Fe L, Mg, Si, and S using XMM–Newton data were used to map the distribution of ejecta. The SNR was sectioned into 56 regions best characterized by two-component thermal models. The harder component (kT ∼ 0.6 keV) is adequately fitted by the VPSHOCK non-equilibrium ionization model with an ionization time-scale net ∼ 1011–1012 cm−3 s, and slightly enhanced abundances over solar values. The soft component (kT ∼ 0.2 keV), fitted by the APEC model, is well described by plasma in collisional ionization equilibrium with abundances consistent with solar values. Assuming a distance of 3.1 kpc and a Sedov phase of expansion into a uniform medium, we estimate an SNR age of 4.4 kyr, a swept-up mass Msw = 16$f_\mathrm{ s}^{-1/2}$ D$_{3.1}^{5/2}$ M⊙, and a low explosion energy E* = 3.7 × 1049 $f_\mathrm{ s}^{-1/2}$ D$_{3.1}^{5/2}$ erg. This energy could be an order of magnitude higher if we relax the Sedov assumption, the plasma has a low filling factor, the plasma temperature is underestimated, or if the SNR is expanding into the progenitor’s wind-blown bubble. Standard explosion models did not match the ejecta yields. By comparing the fitted abundances to the most recent core-collapse nucleosynthesis models, our best estimate yields a low-mass progenitor of around 12–13 M⊙, lower than previously reported. We discuss degeneracies in the model fitting, particularly the effect of altering the explosion energy on the progenitor mass estimate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Joint Bayesian Inference for Near-Surface Explosion Yield and Height-of-Burst

Forensic capabilities to understand chemical and nuclear explosions are greatly aided by an accurate estimate of explosive yield with uncertainty. The relationship between explosive size and geophysical observations of seismic, acoustic, and optical waves can be exploited to provide an estimate of yield. Any near-surface yield estimate is complicated by the surface interaction, so an estimate for the explosion height-of-burst is necessarily included in the relationship. Additionally, the relationship dictates a trade-off between estimates of yield and height-of-burst. Fortunately, the surface interaction for each type of observation is different, which breaks the trade-off, and the inclusion of height-of-burst with multiple data types improves yield estimation. We define simple parametric forward models to relate seismoäcoustoöptic observations from a data set of known explosive yields and height-of-bursts. The parameters of the models and a prediction for the yield and height-of-burst of a new event can then be estimated given new observations via Bayesian inference. We report posterior distribution estimates of the parametric models using a Markov chain Monte Carlo sampling technique. These models are then used to predict the yield and height-of-burst of SUGAR, a historical near-surface nuclear explosion, using its reported historical observations. The reported yield of 1.2 ktonne Trinitrotoluene (TNT)-equivalent (Department of Energy, 2015) is within the estimated posterior. Yield uncertainty can be estimated from the spread of the posterior, which is between 0.9 and 2.1 ktonne TNT-equivalent. The posterior for height-of-burst has a wider range between 10 m below and 8 m above ground that includes the true height-of-burst of 1 m.

58 GEOSCIENCES↗
DOE OSTI2017

Modeling ultrafast exciton migration within the electron donor domains of bulk heterojunction organic photovoltaics

Recent experimental studies revealed that charge carriers harvested by bulk heterojunction organic photovoltaics can be collected on ultrafast time scales. To investigate ultrafast exciton mobility, we construct simple, nonatomistic models of a common polymeric electron donor material. We first explore the relationship between the magnitude of energetic noise in the model Hamiltonian and the spatial extent of resulting eigenstates. We then employ a quantum master equation approach to simulate migration of chromophore-localized initial excited states. Excitons initially localized on a single chromophore at the center of the model delocalize down polymer chains and across pi-stacked chromophores through a coherent, wavelike mechanism during the first few tens of femtoseconds. We explore the dependence of this coherent delocalization on coupling strength and on the magnitude of energetic noise. At longer times we observe continued migration toward a uniform population distribution that proceeds through an incoherent, diffusive mechanism. A series of simulations modeling exciton harvesting in domains of varying size demonstrates that smaller domains enhance ultrafast exciton harvesting yield. Finally, our nonatomistic model falls short of quantitative accuracy but demonstrates that excitons are mobile within electron donor domains on ultrafast time scales and that coherent exciton transport can enhance ultrafast exciton harvesting.

36 MATERIALS SCIENCE↗