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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2014

Event Tree Success Branch Modeling Approaches in SAPHIRE/SPAR

Standardized Plant Analysis Risk (SPAR) models are a set of linked fault tree/event tree PRA models that have been used by the Nuclear Regulatory Commission (NRC) to evaluate the risk of operations at U.S. nuclear power plants since 1990s. The models use the Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE) code developed by the NRC and Idaho National Laboratory (INL). Currently Version 8, SAPHIRE is a powerful software with advanced features to perform separated or integrated Level 1, Level 2, internal events, external events, at-power, and low power shutdown PRA [1]. One of its features is the availability of three different approaches to model the success branch of a top event in event tree: delete term, complement of system logic, and developed event. However, improper choosing and modeling success branch might yield unexpected and incorrect results. This paper will discuss the two most often used success branch modeling approaches, delete term and developed event, and provide recommendations for using proper approaches in different models. A potential SAPHIRE code enhancement is also proposed to address the adverse impact brought by the developed event approach.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Quasisteady evolution of fast neutrino-flavor conversions

In astrophysical environments such as core-collapse supernovae (CCSNe) and binary neutron star mergers (BNSMs), neutrinos potentially experience substantial flavor mixing due to the refractive effects of neutrino self-interactions. Determining the survival probability of neutrinos in asymptotic states is paramount to incorporating flavor conversions’ effects in the theoretical modeling of CCSN and BNSM. Some phenomenological schemes have shown good performance in approximating asymptotic states of fast neutrino-flavor conversions (FFCs), known as one of the collective neutrino oscillation modes induced by neutrino self-interactions. However, a recent study showed that they would yield qualitatively different asymptotic states of FFC if the neutrino number is forced to evolve. It is not yet fully understood why the canonical phenomenological models fail to predict asymptotic states. In this paper, we perform detailed investigations through numerical simulations and then provide an intuitive explanation with a quasihomogeneous analysis. Based on the analysis, we propose a new phenomenological model, in which the quasisteady evolution of FFCs is analytically determined. The model also allows us to express the convolution term of spatial wave number as a concise form, which corresponds to useful information on analyses for the nonlinear feedback from small-scale flavor conversions to large-scale ones. Furthermore, our model yields excellent agreement with numerical simulations, which lends support to our interpretation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Measurements of the Higgs boson production and decay rates and constraints on its couplings from a combined ATLAS and CMS analysis of the LHC pp collision data at $ \sqrt{s}=7 $ and 8 TeV

Combined ATLAS and CMS measurements of the Higgs boson production and decay rates, as well as constraints on its couplings to vector bosons and fermions, are presented. The combination is based on the analysis of five production processes, namely gluon fusion, vector boson fusion, and associated production with a W or a Z boson or a pair of top quarks, and of the six decay modes H → ZZ, W W , γγ, ττ, bb, and μμ. All results are reported assuming a value of 125.09 GeV for the Higgs boson mass, the result of the combined measurement by the ATLAS and CMS experiments. The analysis uses the CERN LHC proton-proton collision data recorded by the ATLAS and CMS experiments in 2011 and 2012, corresponding to integrated luminosities per experiment of approximately 5 fb$^{−1}$ at $ \sqrt{s}=7 $ TeV and 20 fb$^{−1}$ at $ \sqrt{s}=8 $ TeV. The Higgs boson production and decay rates measured by the two experiments are combined within the context of three generic parameterisations: two based on cross sections and branching fractions, and one on ratios of coupling modifiers. Several interpretations of the measurements with more model-dependent parameterisations are also given. The combined signal yield relative to the Standard Model prediction is measured to be 1.09 ± 0.11. The combined measurements lead to observed significances for the vector boson fusion production process and for the H → ττ decay of 5.4 and 5.5 standard deviations, respectively. The data are consistent with the Standard Model predictions for all parameterisations considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Solvent selection for a biomass-to-bioproduct pipeline through integrated reductive catalytic fractionation and microbial funneling

The growing significance of lignin-first biorefineries, which focus on upgrading the aromatics resulting from lignin depolymerization, presents opportunities for bioproduct synthesis using microbial strains capable of funneling a diverse array of phenolics into a single commodity chemical. In this study, we evaluated a biomass-to-bioproduct pipeline involving the reductive catalytic fractionation (RCF) of poplar biomass followed by biological funneling with a Novosphingobium aromaticivorans strain that produces 2-pyrone-4,6-dicarboxylic acid (PDC), a potential bioplastic precursor. Considering the impact of solvent on RCF reactor operating pressure, and the potential inhibitory effects of solvent on downstream microbial funneling, we performed an analysis of six pure solvents, namely methanol, ethanol, isopropanol, isobutanol, 1,4-dioxane and ethylene glycol, and different variations of their aqueous mixtures comprising 5 to 50 vol% water. For each pure solvent and solvent/water system, we measured phenolic monomer yields in the RCF process and PDC yields from the phenolic monomers. We then developed correlation models that relate phenolic monomer yields from RCF-derived samples to Hansen solubility parameters to determine solvent descriptors that contribute to high yields. Furthermore, we developed an integrated biorefinery system to estimate the minimum selling price (MSP) of PDC and the associated carbon footprint to identify solvent systems with better costs and sustainability metrics. These analyses resulted in the 50 vol% methanol/water system being identified as optimal because it reduces RCF reactor pressure and is compatible with microbial funneling with N. aromaticivorans. This solvent system produced 63 g PDC per kg biomass (264 g PDC per kg lignin) from 85 g phenolic monomers per kg biomass at a reduced reactor pressure of 48 bar (reduced by 26% compared to our previous poplar-to-PDC pipeline). The MSP for this system is $\$$13.98 per kg of purified PDC (carbon footprint of 1.47 kg CO 2 e per kg), which is about 24% lower than a previously described poplar-to-PDC pipeline and 46% lower than a lignin-to-PDC pipeline that used pure methanol as the solvent. The results from this study illustrate improvements that can be made in lignocellulosic biorefineries that are compatible with the hybrid chemical and biological processes needed to gain value from lignin.

Sripada, Sarada [Great Lakes Bioenergy Research Ce↗