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At least 1,567 records · Page 87
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DOE OSTI2014

Generating synthetic magnetic field intermittency using a Minimal Multiscale Lagrangian Mapping approach

The Minimal Multiscale Lagrangian Mapping procedure developed in the context of neutral fluid turbulence is a simple method for generating synthetic vector fields. Using a sequence of low-pass filtered fields, fluid particles are displaced at their rms speed for some scale-dependent time interval, and then interpolated back to a regular grid. Fields produced in this way are seen to possess certain properties of real turbulence. This paper extends the technique to plasmas by taking into account the coupling between the velocity and magnetic fields. We examine several possible applications to plasma systems. One use is as initial conditions for simulations, wherein these synthetic fields may efficiently produce a strongly intermittent cascade. The intermittency properties of the synthetic fields are also compared with those of the solar wind. Finally, studies of cosmic ray transport and modulation in the test particle approximation may benefit from improved realism in synthetic fields produced in this way.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

ESTIMATING BLACK HOLE MASSES IN HUNDREDS OF QUASARS

We explore the practical feasibility of active galactic nucleus (AGN) broadband reverberation mapping and present first results. We lay out and apply a rigorous approach for the stochastic reverberation mapping of unevenly sampled multi-broadband flux measurements, assuming that the broad-line region (BLR) line flux is contributing up to 15% in some bands, and is directly constrained by one spectroscopical epoch. The approach describes variations of the observed flux as the continuum, modeled as a stochastic Gaussian process, and emission line contribution, modeled as a scaled, smoothed, and delayed version of the continuum. This approach can be used not only to interpolate in time between measurements, but also to determine confidence limits on continuum—line emission delays. This approach is applied to Sloan Digital Sky Survey observations in Stripe 82 (S82), providing flux measurements that are precise to 2% at ∼60 epochs over ∼10 yr. The strong annual variations in the epoch sampling prove a serious limitation in practice. In addition, suitable redshift ranges must be identified where strong, broad emission lines contribute to one filter, but not to another. By generating and evaluating problem-specific mock data, we verify that S82-like data can constrain τ{sub delay} for a simple transfer function model. In application to real data, we estimate τ{sub delay} for 323 AGNs with 0.225 < z < 0.846, combining information for different objects through the ensemble-scaling relationships for BLR size and black hole mass. Our analysis tentatively indicates a 1.7 times larger BLR size of Hα and Mg II compared to Kaspi et al. and Vestergaard, but the seasonal data sampling casts doubt on the robustness of the inference.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

CHARACTERIZING THE COOL KOIs. VI. H- AND K-BAND SPECTRA OF KEPLER M DWARF PLANET-CANDIDATE HOSTS

We present H- and K-band spectra for late-type Kepler Objects of Interest (the {sup C}ool KOIs{sup )}: low-mass stars with transiting-planet candidates discovered by NASA's Kepler Mission that are listed on the NASA Exoplanet Archive. We acquired spectra of 103 Cool KOIs and used the indices and calibrations of Rojas-Ayala et al. to determine their spectral types, stellar effective temperatures, and metallicities, significantly augmenting previously published values. We interpolate our measured effective temperatures and metallicities onto evolutionary isochrones to determine stellar masses, radii, luminosities, and distances, assuming the stars have settled onto the main sequence. As a choice of isochrones, we use a new suite of Dartmouth predictions that reliably include mid-to-late M dwarf stars. We identify five M4V stars: KOI-961 (confirmed as Kepler 42), KOI-2704, KOI-2842, KOI-4290, and the secondary component to visual binary KOI-1725, which we call KOI-1725 B. We also identify a peculiar star, KOI-3497, which has Na and Ca lines consistent with a dwarf star but CO lines consistent with a giant. Visible-wavelength adaptive optics imaging reveals two objects within a 1 arcsec diameter; however, the objects' colors are peculiar. The spectra and properties presented in this paper serve as a resource for prioritizing follow-up observations and planet validation efforts for the Cool KOIs and are all available for download online using the ''data behind the figure'' feature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

LEAVING THE DARK AGES WITH AMIGA

We present an Analytic Model of Intergalactic-medium and GAlaxy (AMIGA) evolution since the dark ages. AMIGA is in the spirit of the popular semi-analytic models of galaxy formation, although it does not use halo merger trees but interpolates halo properties in grids that are progressively built. This strategy is less memory-demanding and allows one to start modeling at sufficiently high redshifts and low halo masses to have trivial boundary conditions. The number of free parameters is minimized by making a causal connection between physical processes usually treated as independent of each other, which leads to more reliable predictions. However, the strongest points of AMIGA are the following: (1) the inclusion of molecular cooling and metal-poor, population III (Pop III) stars with the most dramatic feedback and (2) accurate follow up of the temperature and volume filling factor of neutral, singly ionized, and doubly ionized regions, taking into account the distinct halo mass functions in those environments. We find the following general results. Massive Pop III stars determine the intergalactic medium metallicity and temperature, and the growth of spheroids and disks is self-regulated by that of massive black holes (MBHs) developed from the remnants of those stars. However, the properties of normal galaxies and active galactic nuclei appear to be quite insensitive to Pop III star properties due to the much higher yield of ordinary stars compared to Pop III stars and the dramatic growth of MBHs when normal galaxies begin to develop, which cause the memory loss of the initial conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Pfirsch–Schlüter neoclassical heavy impurity transport in a rotating plasma

In this paper, we extend previous analytic theories for the neoclassical transport of a trace heavy impurity in a rotating plasma in the Pfirsch-Schl¨uter regime. The complete diffusive and convective components of the ambipolar particle flux are derived. The solution is valid for arbitrary impurity charge and impurity Mach number and for general geometry. Inclusion of finite main ion temperature gradient effects is shown in the small ion Mach number limit. A simple interpolation formula is derived for the case of high impurity charge and circular geometry. While an enhancement of the diffusion coefficient is found for order one impurity Mach number, a reduction due to the rotation-driven poloidal asymmetry in the density occurs for very large Mach number.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Quantifying uncertainties on fission fragment mass yields with mixture density networks

Probabilistic machine learning techniques can learn both complex relations between input features and output quantities of interest as well as take into account stochasticity or uncertainty within a data set. In this initial work, we explore the use of one such probabilistic network, the mixture density network (MDN), to reproduce fission yields and their uncertainties. In this paper, we study mass yields for the spontaneous fission of 252 Cf, exploring the number of training samples needed for converged predictions, how different levels of uncertainty propagate from the training set to the MDN predictions, and how well physical constraints of the yields—such as normalization and symmetry—are upheld by the algorithm. Finally, we test the ability of the MDN to interpolate between and extrapolate beyond samples in the training set using energy-dependent mass yields for the neutron-induced fission on 235 U. The MDN provides a reliable way to include and predict uncertainties and is a promising path forward for supplementing sparse sets of nuclear data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). In this study, we implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Lastly, various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Quantifying uncertainty in the process-structure relationship for Al–Cu solidification

Phase field method (PFM) is a simulation tool to predict microstructural evolution during solidification and is helpful to establish the process-structure relationship for alloys. The robustness of the relationship however is affected by model-form and parameter uncertainties in PFM. In this paper, the uncertainty associated with the thermodynamic and process parameters of PFM is studied and quantified. Surrogate modeling is used to interpolate four quantities of interests (QoIs), including dendritic perimeter, area, primary arm length, and solute segregation, as functions of thermodynamic and process parameters. A sparse grid approach is applied to mitigate the curse-of-dimensionality computational burden in uncertainty quantification. Polynomial chaos expansion is employed to obtain the probability density functions of the QoIs. The effect of parameter uncertainty on the Al–Cu dendritic growth during solidification simulation are investigated. Here, the results show that the dendritic morphology varies significantly with respect to the interface mobility and the initial temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Benchmarking machine learning strategies for phase-field problems

Abstract We present a comprehensive benchmarking framework for evaluating machine-learning approaches applied to phase-field problems. This framework focuses on four key analysis areas crucial for assessing the performance of such approaches in a systematic and structured way. Firstly, interpolation tasks are examined to identify trends in prediction accuracy and accumulation of error over simulation time. Secondly, extrapolation tasks are also evaluated according to the same metrics. Thirdly, the relationship between model performance and data requirements is investigated to understand the impact on predictions and robustness of these approaches. Finally, systematic errors are analyzed to identify specific events or inadvertent rare events triggering high errors. Quantitative metrics evaluating the local and global description of the microstructure evolution, along with other scalar metrics representative of phase-field problems, are used across these four analysis areas. This benchmarking framework provides a path to evaluate the effectiveness and limitations of machine-learning strategies applied to phase-field problems, ultimately facilitating their practical application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radial coordinate maps, radial vectors, and binormal vectors for 5/6, 5/5 and 5/4 edge island domains in W7-X

Abstract The edge island domain in Wendelstein 7-X consists of divertor islands whose position coincide with the location of rational values of the rotational transform - ι ≈ ( 5 / 6 , 5 / 5 , 5 / 4 ) and surround the main confinement volume (the ‘main plasma’), providing the magnetic topology for an island divertor. The 5/5 edge consists of five individual islands that are unconnected. In contrast, a single island connects onto itself after 6 or 4 toroidal transits in the 5/6 or 5/4 edge, respectively. Many interesting phenomena are related to these islands and diagnostic analyses require a mapping from ‘laboratory’ or real space coordinates to the island coordinate system (ICS). A procedure is described here to calculate several scalar and vector quantities for closed island structures which can be utilized in fast interpolation schemes for inverse maps. For the 5/5 edge, a fixed-boundary vacuum (zero beta) magneto-hydrodynamic solution of the 5/5 island is found with the Variational Moments Equilibrium Code, VMEC. The solution is compatible with already existing routines which determine the radial and binormal vectors of VMEC solutions at arbitrary laboratory coordinates. VMEC does not support solutions for the 5/4 and 5/6 islands, but the radial and binormal vectors are available in a local 2D Fourier ICS.

Physics↗
DOE OSTI2025

Magnetic mesh generation and field line reconstruction for scrape-off layer and divertor modeling in stellarators

The design of divertor targets and baffles for optimal heat and particle exhaust from magnetically confined fusion plasmas requires a combination of fast, low-fidelity models (such as EMC3-Lite (Feng 2022 Plasma Phys. Control. Fusion 64 125012)) for scoping studies and high-fidelity ones (such as EMC3-EIRENE (Feng et al 2014 Contrib. Plasma Phys. 54 426–31)) for verification. Both of those approaches benefit from a magnetic flux tube mesh for fast interpolation and mapping of field line segments (Feng et al 2005 Phys. Plasmas 12 052505). A new automated mesh generator for unstructured quadrilateral flux tubes with adaptive refinement is presented and integrated into FLARE (Frerichs 2024 Nucl. Fusion 64 106034). For HSX with an extended first wall, it is found that several layers of flux tubes can span the entire half field period before splitting is required. This is an advantage over the traditional setup of the EMC3-EIRENE mesh where careful construction of several sub- domains is required already for the much tighter present first wall. In particular, there is no longer the need to manually construct a suitable outer boundary for the mesh. The divide and conquer paradigm with unstructured mesh layout offers a powerful alternative for fast head load approximation that is suitable for integration into optimization workflows. Further examples for W7-X and CTH demonstrate the versatile application range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Coherent quantum dynamics in donor–bridge–acceptor systems: beyond the hopping and super-exchange mechanisms

The population transfer dynamics of model donor–bridge–acceptor systems is studied by comparing a recently developed polaron-transformed quantum master equation (PQME) with the well-known Redfield and Förster theories of quantum transport. We show that the PQME approach reduces to these two theories in their respective limits of validity and naturally interpolates between them as a function of the system–bath coupling strength. By exploring the parameter space of our model problem, we identify novel regimes of transport dynamics in bridged systems like those encountered in biological and organic energy transfer problems. Furthermore, we demonstrate that three-level systems like the ones studied herein represent ideal minimal models for the identification of quantum coherent transport as embodied in super-exchange phenomena that cannot be captured by Förster-like hopping approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Discontinuous Galerkin discretization for quantum simulation of chemistry

All-electron electronic structure methods based on the linear combination of atomic orbitals method with Gaussian basis set discretization offer a well established, compact representation that forms much of the foundation of modern correlated quantum chemistry calculations—on both classical and quantum computers. Despite their ability to describe essential physics with relatively few basis functions, these representations can suffer from a quartic growth of the number of integrals. Recent results have shown that, for some quantum and classical algorithms, moving to representations with diagonal two-body operators can result in dramatically lower asymptotic costs, even if the number of functions required increases significantly. We introduce a way to interpolate between the two regimes in a systematic and controllable manner, such that the number of functions is minimized while maintaining a block-diagonal structure of the two-body operator and desirable properties of an original, primitive basis. Techniques are analyzed for leveraging the structure of this new representation on quantum computers. Empirical results for hydrogen chains suggest a scaling improvement from O(N 4.5 ) in molecular orbital representations to O(N 2.6 ) in our representation for quantum evolution in a fault-tolerant setting, and exhibit a constant factor crossover at 15 to 20 atoms. Moreover, we test these methods using modern density matrix renormalization group methods classically, and achieve excellent accuracy with respect to the complete basis set limit with a speedup of 1–2 orders of magnitude with respect to using the primitive or Gaussian basis sets alone. These results suggest our representation provides significant cost reductions while maintaining accuracy relative to molecular orbital or strictly diagonal approaches for modest-sized systems in both classical and quantum computation for correlated systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A no-scale inflationary model to fit them all

The magnitude of B-mode polarization in the cosmic microwave background as measured by BICEP2 favours models of chaotic inflation with a quadratic m{sup 2} φ{sup 2}/2 potential, whereas data from the Planck satellite favour a small value of the tensor-to-scalar perturbation ratio r that is highly consistent with the Starobinsky R +R{sup 2} model. Reality may lie somewhere between these two scenarios. In this paper we propose a minimal two-field no-scale supergravity model that interpolates between quadratic and Starobinsky-like inflation as limiting cases, while retaining the successful prediction n{sub s} ≅ 0.96.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Light sterile neutrinos and inflationary freedom

We perform a cosmological analysis in which we allow the primordial power spectrum of scalar perturbations to assume a shape that is different from the usual power-law predicted by the simplest models of cosmological inflation. We parameterize the free primordial power spectrum with a ''piecewise cubic Hermite interpolating polynomial'' (PCHIP). We consider a 3+1 neutrino mixing model with a sterile neutrino having a mass at the eV scale, which can explain the anomalies observed in short-baseline neutrino oscillation experiments. We find that the freedom of the primordial power spectrum allows to reconcile the cosmological data with a fully thermalized sterile neutrino in the early Universe. Moreover, the cosmological analysis gives us some information on the shape of the primordial power spectrum, which presents a feature around the wavenumber k=0.002 Mpc{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Randers geometry as MOND/dark matter

We consider a deviation of the physical length from the Riemann geometry toward the Randers'. We construct a consistent second-order relativistic theory of gravity that dynamically reduces to the Einstein-Hilbert theory for the strong and Newtonian gravity while its weak gravitational regime reproduces MOND and the gravitational lensing attributed to the dark matter halo. It also naturally accommodates the observed value of the cosmological constant. We show that it predicts a few percent deviation for the post Newtonian parameter γ in a part of the regime that interpolates the Newtonian regime to the MOND regime. The deviation is consistent with the reported observations but can possibly be detected by fine-tuned refinements of the current data or specified future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Speeding up N-body simulations of modified gravity: Vainshtein screening models

We introduce and demonstrate the power of a method to speed up current iterative techniques for N-body modified gravity simulations. Our method is based on the observation that the accuracy of the final result is not compromised if the calculation of the fifth force becomes less accurate, but substantially faster, in high-density regions where it is relatively weak due to screening. We focus on the nDGP model which employs Vainshtein screening, and test our method by running AMR simulations in which the fifth force on the finer levels of the mesh (high density) is not obtained iteratively, but instead interpolated from coarser levels. The calculation of the standard gravity component of the force still employs the full AMR structure. We show that the impact this has on the matter power spectrum is below 1% for k < 5h/Mpc at 0z = , and even smaller at higher redshift. The impact on halo properties is also small (∼< 3% for abundance, profiles, mass; and ∼< 0.05% for positions and velocities). The method can boost the performance of modified gravity simulations by more than a factor of 10. This allows them to run on timescales similar to GR simulations and to push them to resolution levels that were previously hard to achieve.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Higgs inflation, reheating and gravitino production in no-scale Supersymmetric GUTs

We extend our previous study of supersymmetric Higgs inflation in the context of no-scale supergravity and grand unification, to include models based on the flipped SU(5) and the Pati-Salam group. Like the previous SU(5) GUT model, these yield a class of inflation models whose inflation predictions interpolate between those of the quadratic chaotic inflation and Starobinsky-like inflation, while avoiding tension with proton decay limits. We further analyse the reheating process in these models, and derive the number of e-folds, which is independent of the reheating temperature. We derive the corresponding predictions for the scalar tilt and the tensor-to-scalar ratio in cosmic microwave background perturbations, as well as discussing the gravitino production following inflation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗