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Results for “Dependence 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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Model-independent versus model-dependent interpretation of the SDSS-III BOSS power spectrum: Bridging the divide

The traditional clustering analyses of galaxy redshift surveys compress the clustering data into a set of late-time physical variables in a model-independent way. This approach has recently been extended by an additional shape variable encoding early-time physics information. Here we apply this new technique, ShapeFit, to SDSS-III BOSS data and show that it matches the constraining power of alternative, model-dependent approaches, which directly constrain the model’s parameters adopting a cosmological model ab initio. ShapeFit is ~30 times faster, model independent, naturally splits early- and late-time variables, and enables a better control of observational systematics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A nonparametric approach to modeling dependence among production parameters for energy cost estimation

Dependence existing among production parameters can significantly affect energy costs. For material removal processes, processing times and material amounts to be cut have positive dependence, and the dependence can affect energy costs by varying a peak electricity load. Existing methods to model the dependence of production parameters are based on parametric approaches that cannot accurately represent the dependence due to the rigid nature of parametric models. To address this issue, this study proposes a method to quantify dependence among manufacturing parameters through the application of the empirical copula to the dependence between the milling processing time and the amount of volume to be cut. The proposed method is illustrated by a case study of a manufacturing facility consisting of milling machines; a total of 27 scenarios are simulated for energy cost estimations. The case study clearly shows that the proposed method can capture the dependence between the milling parameters more accurately than a conventional dependence measure from parametric correlation models. Furthermore, the findings from this study would be useful to estimate energy costs in that the proposed method provides a better fit to real production data than conventional parametric approaches can.

42 ENGINEERING↗
DOE OSTI2023

Time dependent model for non-inductive ECH X-I current ramp-up for SHPD tokamak facility

Non-inductive (NI) plasma current start-up and ramp-up is an important research topic for spherical tokamak (ST) based reactors and fusion pilot plant (FPP). For a compact FPP, the OH flux availability is highly restricted due to its compact geometry. Efficient fundamental extraordinary mode (X-I) electron cyclotron heating (ECH) current start-up and ramp-up regime was identified for a reactor-like high toroidal magnetic field range which has more than a hundred times higher current drive efficiency compared to more conventional ECH methods for the relevant start-up temperature range. High current drive efficiency is possible due to the strong X-I fundamental ECH interaction only with unidirectional passing electrons constrained by the wave accessibility conditions. Here, we extend the X-I electron cyclotron current drive (ECCD) investigation to a time dependent model to simulate the non-inductive current ramp-up to 10 MA for the Sustained High-Power Density (SHPD) facility. As the X-I ECCD driven current I EC rises, due to the back EMF driven negative current, the net plasma current Ip rises more slowly with the current resistive time scale. For tokamak confinement time (both L-mode and H-Mode) which tends to rise with I p , a positive feedback results and even with constant applied ECH power, T e0 , I EC , and I p can continue to rise to very high values. However, in a realistic situation, the T e0 rise should saturate due to a number of factors such as enhanced core radiation and increased power loss at high temperature. To simulate this effect, we adopt a maximum T e0 model which would limit the temperature rise to certain T e0 . With this model, we investigated the current ramp-up for various ECH power levels and the maximum T e0 of 15, 20, and 25 keV. We find that while the power required is reduced with increasing T e0 limit due to increased current drive efficiency, the time to reach 10 MA tends to go up due to the reduced plasma resistivity for the higher T e0 limit. We also find for a given Te0 limit, the time to reach 10 MA tends to be reduced by increasing the applied ECH power by over driving the current ramp-up where I EC is driven at significantly higher level than 10 MA. While the current ramp-up time may not be an issue for the steady-state reactor systems, if it is desirable to minimize the current ramp-up time, it is prudent to have a sufficient ECH power for current over-drive and have some T e0 limiting tools such as impurity seeding for enhanced radiation. In conclusion, a well-controlled NI ECH start-up also has a potential of improving the tokamak start-up reliability and avoid run-away electrons while the NI off-axis current drive could enhance MHD stability and plasma performance improvements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Immersion Freezing in Particle-Based Aerosol-Cloud Microphysics: A Probabilistic Perspective on Singular and Time-Dependent Models

Cloud droplets containing immersed ice-nucleating particles (INPs) may freeze at temperatures above the homogeneous freezing threshold temperature in a process referred to as immersion freezing. In modeling studies, immersion freezing is often described using either so-called “singular” or “time-dependent” parameterizations. Here, we compare both approaches and discuss them in the context of probabilistic particle-based (super-droplet) cloud microphysics modeling. First, using a box model, we contrast how both parameterizations respond to idealized ambient cooling rate profiles and quantify the impact of the polydispersity of the immersed surface spectrum on the frozen fraction evolution. Presented simulations highlight that the singular approach, constituting a time-integrated form of a more general time-dependent approach, is only accurate under a limited range of ambient cooling rates. The time-dependent approach is free from this limitation. Second, using a prescribed-flow two-dimensional cloud model, we illustrate the macroscopic differences in the evolution in time of ice particle concentrations in simulations with flow regimes relevant to ambient cloud conditions. The flow-coupled aerosol-budget-resolving simulations highlight the benefits and challenges of modeling cloud condensation nuclei activation and immersion freezing on insoluble ice nuclei with super-particle methods. The challenges stem, on the one hand, from heterogeneous ice nucleation being contingent on the presence of relatively sparse immersed INPs, and on the other hand, from the need to represent a vast population of particles with relatively few so-called super particles (each representing a multiplicity of real particles). We discuss the critical role of the sampling strategy for particle attributes, including the INP size, the freezing temperature (for singular scheme) and the multiplicity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Time-dependent modeling of coupled plasma-wall dynamics

Effects of dynamic wall outgassing on divertor plasma during an ELM-like heat pulse are modelled using newly coupled edge plasma code UEDGE and all reaction-diffusion code FACE. Different divertor regimes are simulated depending on the degree of the plasma detachment. It is shown that hydrogen outgassing from the divertor target plate induced by ELM pulse in the semi-detached regime can trigger deep plasma detachment. The induced detachment does not spontaneously reverse after the pulse due to ineffective implantation of low energy plasma hydrogen in the target material. Furthermore, we demonstrate that plasma neutrals play essential role in heat transport in a detached divertor. The modelled hydrogen dynamics in the wall material demonstrates that the heat pulse leads to enhanced hydrogen transport toward the wall bulk.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Time-dependent modeling of dust outburst into tokamak divertor plasma

The first self-consistent simulation studies of the impact of transient injection of tungsten dust on ITER-like edge plasma are presented. The simulations are performed using DUSTT and UEDGE codes coupled in a fully time-dependent manner. The evolution of the divertor and upstream plasma conditions, following the injection of tungsten dust of various quantities and sizes at the outer strike point, is investigated. The estimates of the core plasma impurity fraction and the core impurity screening factor associated with the dust injection are also obtained. Here, the simulations show that the bursts of even modest amounts of tungsten dust injected into the divertor plasmas can result in large perturbations of the divertor power load and unacceptable levels of the core plasma contamination with tungsten impurities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Model-dependence of minimal-twist OPEs in d > 2 holographic CFTs

Following recent work on heavy-light correlators in higher-dimensional conformal field theories (CFTs) with a large central charge C T , we clarify the properties of stress tensor composite primary operators of minimal twist, [ T m ], using arguments in both CFT and gravity. We provide an efficient proof that the three-point coupling $\left\langle {\mathcal{O}}_L{\mathcal{O}}_L\left[{T}^m\right]\right\rangle$, where ${\mathcal{O}}_L$ is any light primary operator, is independent of the purely gravitational action. Next, we consider corrections to this coupling due to additional interactions in AdS effective field theory and the corresponding dual CFT. When the CFT contains a non-zero three-point coupling $\left\langle TT{\mathcal{O}}_L\right\rangle$, the three-point coupling $\left\langle {\mathcal{O}}_L{\mathcal{O}}_L\left[{T}^2\right]\right\rangle$ is modified at large C T if $\left\langle TT{\mathcal{O}}_L\right\rangle \sim \sqrt{C_T}$. This scaling is obeyed by the dilaton, by Kaluza-Klein modes of prototypical supergravity compactifications, and by scalars in stress tensor multiplets of supersymmetric CFTs. Quartic derivative interactions involving the graviton and the light probe field dual to ${\mathcal{O}}_L $ can also modify the minimal-twist couplings; these local interactions may be generated by integrating out a spin- ℓ ≥ 2 bulk field at tree level, or any spin ℓ at loop level. These results show how the minimal-twist OPE coefficients can depend on the higher-spin gap scale, even perturbatively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Temperature and Composition Dependence Modeling of Viscosity and Electrical Conductivity of Low-Activity Waste Glass Melts

The development of models that accurately relate the properties of a glass melt to its temperature and composition is important for glass formulation, melter control, and modeling the melt flow, refractory corrosion, and production rate. Using a database consisting of more than 4,000 data points measured between 900 °C and 1250 °C for over 600 unique low-activity waste glass compositions, we developed models for the melt viscosity and electrical conductivity. Models based on the Gaussian process regression approach outperformed models based on the Vogel–Fulcher–Tammann equation according to four standard metrics and yielded reliable prediction intervals. The models found primarily linear effects between properties and individual components, except for the effect of the Na 2 O mass fraction on the electrical conductivity. The effects were found to be consistent with current theories on physical processes involved with those properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Temperature-dependent model of helium bubble expansion and bursting in tungsten

Continuum-scale models that can reliably predict the behavior of helium in tungsten are of interest to the fusion community due to the projected impact of these materials on fusion reactor operation. In this work, we perform molecular dynamics simulations of spherical helium bubbles of various sizes in tungsten at different temperatures and depths with the goal of determining a mathematical model of the pressure and density at which the bubbles initially expand or burst as a function of depth, size, temperature, and surface orientation. The bubbles are small enough that their loop-punching pressures cannot be accurately predicted with continuum mechanics, and their expansion behavior is important, as it appears to cause many of the features observed on helium-irradiated tungsten surfaces. We vary the temperature, bubble size, bubble depth, and surface orientation in each case, recording the bubble pressure and density that result in bubble expansion. An exponential function with three adjustable parameters is found to fit the results well; the parameters that best fit our results are provided.

36 MATERIALS SCIENCE↗
DOE OSTI2025

OC7 phase I: Toward practical sea-state-dependent modeling of hydrodynamic viscous drag and damping

Here, this article presents a collaborative research campaign under the OC7 project on refining the engineering modeling approach for hydrodynamic viscous drag and damping on floating wind platforms, focusing on the adjustment of hydrodynamic drag and damping coefficients for different sea states. The participant simulation results show significant improvements over the previous OC6 project in predicting the low-frequency resonance motion under nonoperational conditions. The improvements are mainly due to enhanced modeling, including the adoption of wave stretching, and directly tuning the coefficients to measured platform motion in waves instead of free decay. For accurate predictions of mean- and slow-drift motion, the better performing models use a decreasing column splash zone drag coefficient and increasing surge damping/drag with increasing wave height. The model tuning for heave and pitch resonance shows less consistency. Generally, both quadratic drag and additional heave or pitch damping are needed for accurate predictions. Alternatively, a quadratic drag formulation with velocity filtering for the rectangular pontoons leads to improved predictions without additional damping. This model is also potentially more predictive, requiring minimal adjustment to its parameters for different conditions.

17 WIND ENERGY↗
DOE OSTI2023

Revised Nitrogen Reduction Scaling Relations from Potential-Dependent Modeling of Chemical and Electrochemical Steps

The electrochemical nitrogen reduction reaction (NRR) is a promising route to enable carbon-free ammonia production. However, this reaction is limited by the poor activity and selectivity of current catalysts. The rational design of superior NRR electrocatalysts requires a detailed mechanistic understanding of current material limitations to inform how these might be overcome. The current understanding of how scaling limits NRR on metal catalysts is predicated on a simplified reaction pathway that considers only proton-coupled electron transfer (PCET) steps. Here, we apply grand-canonical density functional theory to investigate a more comprehensive NRR mechanism that includes both electrochemical and chemical steps on 30 metal surfaces in solvent under an applied potential. We applied ..phi..max, a grand-canonical adaptation of the Gmax thermodynamic descriptor, to evaluate trends in catalyst activity. This approach produces a ..phi..max "volcano" diagram for NRR activity scaling on metals that qualitatively differs from the scaling relations identified when only PCET steps are considered. NH3* desorption was found to limit the NRR activity for materials at the top of the volcano and truncate the volcano's peak at increasingly reducing potentials. These revised scaling relations may inform the rational design of superior NRR electrocatalysts. This approach is transferable to study other materials and reaction chemistries where both electrochemical and chemical steps are modeled under an applied potential.

electrocatalysis↗
DOE OSTI2020

Spatially dependent modeling and simulation of runaway electron mitigation in DIII-D

New simulations with the Kinetic Orbit Runaway electron (RE) Code (KORC) show RE deconfinement losses to the wall during plasma scrape off are the primary current dissipation mechanism in DIII-D experiments with high-Z impurity injection, and not collisional slowing down. The majority of simulations also exhibit an increase in the RE beam energy due to acceleration by the induced toroidal electric field, even while the RE beam current is decreasing. In this study, KORC integrates RE orbits using the relativistic guiding center equations of motion and incorporates time-sequenced, experimental reconstructions of the magnetic and electric fields and line integrated electron density to construct spatiotemporal models of electron and partially ionized impurity transport in the companion plasma. Comparisons of experimental current evolution and KORC results demonstrate the importance of including Coulomb collisions with partially ionized impurity physics, initial RE energy, pitch angle, and spatial distributions, and spatiotemporal electron and partially ionized impurity transport. The research presented here provides an initial quantification of the efficacy of RE mitigation via injected impurities and identification of the critical role played by loss of confinement due to plasma scrape off on the inner wall as compared to the relatively slow collisional damping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

SNS: A Solution-Based Nonlinear Subspace Method for Time-Dependent Model Order Reduction

Several reduced order models have been successfully developed for nonlinear dynamical systems. To achieve a considerable speed-up, a hyper-reduction step is needed to reduce the computational complexity due to nonlinear terms. Many hyper-reduction techniques require the construction of nonlinear term basis, which introduces a computationally expensive offline phase. A novel way of constructing nonlinear term basis within the hyper-reduction process is introduced. In contrast to the traditional hyper-reduction techniques where the collection of nonlinear term snapshots is required, the SNS method avoids collecting the nonlinear term snapshots. Instead, it uses the solution snapshots that are used for building a solution basis, which enables avoiding an extra data compression of nonlinear term snapshots. As a result, the SNS method provides a more efficient offline strategy than the traditional model order reduction techniques, such as the DEIM, GNAT, and ST-GNAT methods. The SNS method is theoretically justified by the conforming subspace condition and the subspace inclusion relation. It is useful for model order reduction of large-scale nonlinear dynamical problems to reduce the offline cost. It is especially useful for ST-GNAT that has shown promising results, such as a good accuracy with a considerable online speed-up for hyperbolic problems in a recent paper by Choi and Carlberg [SIAM J. Sci. Comput., 41 (2019), pp. A26--A58], because ST-GNAT involves an expensive offline cost related to collecting nonlinear term snapshots. Error analysis for the SNS method is presented. Numerical results support that the accuracy of the solution from the SNS method is comparable to the traditional methods and a considerable speed-up (i.e., a factor of two to a hundred) is achieved in the offline phase.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model

We incorporate geometry-dependent distributed multipole and polarizability surfaces into an induction model that is used to describe the 3- and 4-body terms of the interaction between water molecules. The expansion is carried out up to hexadecapole with the multipoles distributed on the atom sites. Dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole distributed polarizabilities are used to represent the response of the multipoles to an electric field. We compare the model against two large databases consisting of 43,844 3-body terms and 3,603 4-body terms obtained from high level ab initio calculations previously used to fit the MB-pol and q-AQUA interaction potentials. The classical induction model with no adjustable parameters reproduces the ab-initio 3- and 4-body terms contained in these teo Databases with a Root-Mean-Square-Error (RMSE) of 0.104/0.058 and a Mean-Absolute-Error (MAE) of 0.054/0.026 kcal/mol, respectively, results that are on a par with those obtained 1 by fitting the same data using tens of thousands of Permutationally Invariant Polynomials (PIPs). This demonstrates the accuracy of this physically motivated model in describing the 3- and 4-body terms in the interactions between water molecules with no adjustable parameters. The triple-dipole-dispersion energy was included in the 3-body energy and was found to be small but not quite negligible. The model represents a practical, efficient and transferable approach for obtaining accurate non-additive interactions for multi-component systems without the need of performing tens of thousands of high level electronic structure calculations and fitting them with tens of thousands of PIPs.

molecular analysis water, aqueous↗
DOE OSTI2026

Time-dependent scenario modeling for the ST-E1 fusion power plant

ST-E1 is a low aspect ratio fusion power plant being designed by Tokamak Energy targeting 1.5 GW of fusion power. Characterization of the ST-E1 flat-top scenario is described elsewhere McNamara et al (2026 Nucl. Fusion 66 086008); here we focus on addressing the question of how to ramp-up the ST-E1 plasma from an initial state following breakdown and flux-surface formation to the target flat-top state. Being low-aspect ratio, the available solenoid flux of ST-E1 is limited. Therefore, particular consideration is placed on developing ramp-up scenarios that predominantly use inductive flux provided by external vertical field coils. Through time-dependent modeling with METIS, we show that this is possible when the ramp-up is performed at relatively high plasma density: although auxiliary current drive efficiency is reduced, this is significantly outweighed by (1) higher electron-ion collisional equilibration, (2) higher fusion power once ions become sufficiently hot, (3) higher poloidal beta for increased vertical-field flux, and (4) potentially favorable exhaust compatibilities. Ultimately, we show the target ST-E1 flat-top performance can be reached after a ramp-up period lasting 150 s using less than 40 Vs of solenoid flux (with vertical field providing ∼ 90 Vs of flux). The sensitivity to model assumptions are presented, with the general observation that deleterious effects can be mitigated through minor alterations of the auxiliary power temporal waveform and/or total auxiliary power level. The impact of a solenoid and the auxiliary power mix (electron cyclotron heating only versus electron and ion cyclotron heating) on the ST-E1 ramp-up success are also discussed in appendices. On this latter topic, we show that the effect of direct-ion heating during ramp-up is obscured by the uncertainty in the pedestal dynamics, identifying a clear line of future work required to make a definite decision on the ST-E1 auxiliary power mix.

current ramp-up↗
DOE OSTI2026

Search for nonresonant new physics signals in high-mass dilepton events produced in association with b-tagged jets in proton-proton collisions at $\sqrt{s}=13$ TeV

A search for nonresonant new physics phenomena in high-mass dilepton events produced in association with b-tagged jets is performed using proton-proton collision data collected in 2016–2018 by the CMS experiment at the CERN LHC, at a center-of-mass energy of 13 TeV corresponding to an integrated luminosity of 138 fb −1 . The analysis considers two effective field theory models with dimension-six operators; involving four-fermion contact interactions between two leptons (ℓℓ, electrons or muons) and b or s quarks (bbℓℓ and bsℓℓ). Two lepton flavor combinations (ee and μμ) are required and events are classified as having 0, 1, or ≥2 b-tagged jets in the final state. No significant excess is observed over the standard model backgrounds. Upper limits are set on the production cross section of the new physics signals. These translate into lower limits on the energy scale Λ of 6.9 to 9.0 TeV in the bbℓℓ model, depending on model parameters, and on the ratio of energy scale and effective coupling, Λ/g*, of 2.0 to 2.6 TeV in the bsℓℓ model. Lepton flavor universality is also tested by comparing the dielectron (ee) and dimuon (μμ) mass spectra for different b-tagged jet multiplicities. No significant deviation from the standard model expectation of unity is observed.

Beyond Standard Model↗
DOE OSTI2022

General tensor structure for electron scattering in terms of invariant responses

The general structure of semi-inclusive polarized electron scattering from polarized spin-1/2 targets is developed for use at all energy scales, from modest-energy nuclear physics applications to use in very high energy particle physics. The leptonic and hadronic tensors that enter in the formalism are constructed in a general covariant way in terms of kinematic factors that are frame dependent but model independent and invariant response functions which contain all of the model-dependent dynamics. In the process of developing the general problem the relationships to the conventional responses expressed in terms of the helicity components of the exchanged virtual photon are presented. For semi-inclusive electron scattering with polarized electrons and polarized spin-1/2 targets one finds that 18 invariant response functions are required, each depending on four Lorentz scalar invariants. Additionally it is shown how the semi-inclusive cross sections are related via integrations over the momentum of the selected coincidence particle and sums over open channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A Broad Grid of 2D Kilonova Emission Models

Depending upon the properties of their compact remnants and the physics included in the models, simulations of neutron star mergers can produce a broad range of ejecta properties. The characteristics of this ejecta, in turn, define the kilonova emission. To explore the effect of ejecta properties, we present a grid of 2-component 2D axisymmetric kilonova simulations that vary mass, velocity, morphology, and composition. The masses and velocities of each component vary, respectively, from 0.001 to 0.1 M ⊙ and 0.05 to 0.3c, covering much of the range of results from the neutron star merger literature. The set of 900 models is constrained to have a toroidal low electron fraction (Y e ) ejecta with a robust r-process composition and either a spherical or lobed high-Y e ejecta with two possible compositions. We simulate these models with the Monte Carlo radiative transfer code SuperNu using a full suite of lanthanide and 4th row element opacities. We examine the trends of these models with parameter variation, show how it can be used with statistical tools, and compare the model light curves and spectra to those of AT2017gfo, the electromagnetic counterpart of GW170817.

79 ASTRONOMY AND ASTROPHYSICS↗