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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Toroidally symmetric plasma vortex at tokamak divertor null point

Reduced MHD equations are used for studying toroidally symmetric plasma dynamics near the divertor null point. Numerical solution of these equations exhibits a plasma vortex localized at the null point with the time-evolution defined by interplay of the curvature drive, magnetic restoring force, and dissipation. Convective motion is easier to achieve for a second-order null (snowflake) divertor than for a regular x-point configuration, and the size of the convection zone in a snowflake configuration grows with plasma pressure at the null point. In conclusion, the trends in simulations are consistent with tokamak experiments which indicate the presence of enhanced transport at the null point.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations

The focal-point approximation can be used to estimate a high-accuracy, slow quantum chemistry computation by combining several lower-accuracy, faster computations. We examine the performance of focal-point methods by combining second-order Møller–Plesset perturbation theory (MP2) with coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] for the calculation of harmonic frequencies and that of fundamental frequencies using second-order vibrational perturbation theory (VPT2). In contrast to standard CCSD(T), the focal-point CCSD(T) method approaches the complete basis set (CBS) limit with only triple-ζ basis sets for the coupled-cluster portion of the computation. The predicted harmonic and fundamental frequencies were compared with the experimental values for a set of 20 molecules containing up to six atoms. Here, the focal-point method combining CCSD(T)/aug-cc-pV(T + d)Z with CBS-extrapolated MP2 has mean absolute errors vs experiment of only 7.3 cm −1 for the fundamental frequencies, which are essentially the same as the mean absolute error for CCSD(T) extrapolated to the CBS limit using the aug-cc-pV(Q + d)Z and aug-cc-pV(5 + d)Z basis sets. However, for H 2 O, the focal-point procedure requires only 3% of the computation time as the extrapolated CCSD(T) result, and the cost savings will grow for larger molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A three-point velocity estimation method for two-dimensional coarse-grained imaging data

Time delay and velocity estimation methods have been widely studied subjects in the context of signal processing, with applications in many different fields of physics. The velocity of waves or coherent fluctuation structures is commonly estimated as the distance between two measurement points divided by the time lag that maximizes the cross correlation function between the measured signals, but this is demonstrated to result in erroneous estimates for two spatial dimensions. We present an improved method to accurately estimate both components of the velocity vector, relying on three non-aligned measurement points. We introduce a stochastic process describing the fluctuations as a superposition of uncorrelated pulses moving in two dimensions. Using this model, we show that the three-point velocity estimation method, using time delays calculated through cross correlations, yields the exact velocity components when all pulses have the same velocity. The two- and three-point methods are tested on synthetic data generated from realizations of such processes for which the underlying velocity components are known. The results reveal the superiority of the three-point technique. Finally, we demonstrate the applicability of the velocity estimation on gas puff imaging data of strongly intermittent plasma fluctuations due to the radial motion of coherent, blob-like structures at the boundary of the Alcator C-Mod tokamak.

Materials Science↗
DOE OSTI2015

Evolution families of conformal mappings with fixed points and the Löwner-Kufarev equation

The paper is concerned with evolution families of conformal mappings of the unit disc to itself that fix an interior point and a boundary point. Conditions are obtained for the evolution families to be differentiable, and an existence and uniqueness theorem for an evolution equation is proved. A convergence theorem is established which describes the topology of locally uniform convergence of evolution families in terms of infinitesimal generating functions. The main result in this paper is the embedding theorem which shows that any conformal mapping of the unit disc to itself with two fixed points can be embedded into a differentiable evolution family of such mappings. This result extends the range of the parametric method in the theory of univalent functions. In this way the problem of the mutual change of the derivative at an interior point and the angular derivative at a fixed point on the boundary is solved for a class of mappings of the unit disc to itself. In particular, the rotation theorem is established for this class of mappings. Bibliography: 27 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

On the structure of the set of coincidence points

We consider the set of coincidence points for two maps between metric spaces. Cardinality, metric and topological properties of the coincidence set are studied. We obtain conditions which guarantee that this set (a) consists of at least two points; (b) consists of at least n points; (c) contains a countable subset; (d) is uncountable. The results are applied to study the structure of the double point set and the fixed point set for multivalued contractions. Bibliography: 12 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

THE ROLE OF THE INNER CORONAL NULL POINT IN THE FORMATION AND EVOLUTION OF SOLAR QUIESCENT PROMINENCES

Using a 2.5-dimensional MHD simulation, we investigate the role played by the inner coronal null point in the formation and evolution of solar quiescent prominences. The flux rope is characterized by its magnetic fluxes, the toroidal magnetic flux Φ {sub p} and the poloidal flux Φ{sub ψ}. It is found that for a given Φ {sub p}, the catastrophe does not occur in the flux rope system until Φ{sub ψ} increases to a critical point. Moreover, the magnetic flux of the null point is the maximum value of the magnetic flux in the quadrupole background magnetic field, and represented by ψ {sub N}. The results show that the bigger ψ {sub N} usually corresponds to the smaller catastrophic point, the lower magnetic energy of the flux rope system, and the lesser magnetic energy inside the flux rope. Our results confirm that catastrophic disruption of the prominence occurs more easily when there is a bigger ψ {sub N}. However, ψ {sub N} has little influence on the maximum speed of the coronal mass ejections (CMEs) with an erupted prominence. Thus we argue that a topological configuration with the inner coronal null point is a necessary structure for the formation and evolution of solar quiescent prominences. In conclusion, it is easier for the prominences to form and to erupt as a core part of the CMEs in the magnetic structure with a greater ψ {sub N}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The angle-averaged squeezed limit of nonlinear matter N-point functions

Assuming Gaussian initial conditions, we show that in a certain, angle-averaged squeezed limit the N-point function of matter is related to the response of the matter power spectrum to a long-wavelength density perturbation, P{sup −1}d{sup nP}(k|δ{sub L})/dδ{sub L}{sup n}|{sub δ{sub L=0}}, with n=N−2. By performing N-body simulations with a homogeneous overdensity superimposed on a flat Friedmann-Robertson-Lemaȋtre-Walker (FRLW) universe using the separate universe approach, we obtain measurements of the nonlinear matter power spectrum response up to n=3, which is equivalent to measuring the fully nonlinear matter 3- to 5-point function in this squeezed limit. The sub-percent to few percent accuracy of those measurements is unprecedented. We then test the hypothesis that nonlinear N-point functions at a given time are a function of the linear power spectrum at that time, which is predicted in an Einstein-de Sitter (EdS) universe by standard perturbation theory (SPT) and its variants that are based on the ideal pressureless fluid equations. Specifically, we compare the responses computed from the separate universe simulations and simulations with a rescaled initial (linear) power spectrum amplitude. We find discrepancies of 10% at k≅ 0.2–0.5 h Mpc{sup −1} for 5- to 3-point functions at z=0. The discrepancy occurs at higher wavenumbers at z=2. Thus, theoretical predictions that are insensitive to the growth history, such as SPT and its variants assuming EdS, even when carried out to arbitrarily high order, are guaranteed to fail to describe matter N-point functions (N>2) around that scale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Critical points of the cosmic velocity field and the uncertainties in the value of the Hubble constant

The existence of critical points for the peculiar velocity field is a natural feature of the correlated vector field. These points appear at the junctions of velocity domains with different orientations of their averaged velocity vectors. Since peculiar velocities are the important cause of the scatter in the Hubble expansion rate, we propose that a more precise determination of the Hubble constant can be made by restricting analysis to a subsample of observational data containing only the zones around the critical points of the peculiar velocity field, associated with voids and saddle points. On large-scales the critical points, where the first derivative of the gravitational potential vanishes, can easily be identified using the density field and classified by the behavior of the Hessian of the gravitational potential. We use high-resolution N-body simulations to show that these regions are stable in time and hence are excellent tracers of the initial conditions. Furthermore, we show that the variance of the Hubble flow can be substantially minimized by restricting observations to the subsample of such regions of vanishing velocity instead of aiming at increasing the statistics by averaging indiscriminately using the full data sets, as is the common approach.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

DESI 2024 II: sample definitions, characteristics, and two-point clustering statistics

We present the samples of galaxies and quasars used for DESI 2024 cosmological analyses, drawn from the DESI Data Release 1 (DR1). We describe the construction of largescale structure (LSS) catalogs from these samples, which include matched sets of synthetic reference ‘randoms’ and weights that account for variations in the observed density of the samples due to experimental design and varying instrument performance. We detail how we correct for variations in observational completeness, the input ‘target’ densities due to imaging systematics, and the ability to confidently measure redshifts from DESI spectra. We then summarize how remaining uncertainties in the corrections can be translated to systematic uncertainties for particular analyses. We describe the weights added to maximize the signalto-noise of DESI DR1 2-point clustering measurements. We detail measurement pipelines applied to the LSS catalogs that obtain 2-point clustering measurements in configuration and Fourier space. The resulting 2-point measurements depend on window functions and normalization constraints particular to each sample, and we present the corrections required to match models to the data. We compare the configuration- and Fourier-space 2-point clustering of the data samples to that recovered from simulations of DESI DR1 and find they are, generally, in statistical agreement to within 2% in the inferred real-space over-density field. The LSS catalogs, 2-point measurements, and their covariance matrices will be released publicly with DESI DR1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Feasibility of raised inner strike point equilibria scenario in ITER for detritiation from beryllium co-deposits

Abstract In ITER, tritium retention primarily occurs through co-deposition with beryllium. To avoid exceeding the strict tritium inventory limit, efficient tritium recovery techniques are essential. Baking is the ITER baseline for tritium recovery, but its effectiveness in removing tritium from thick beryllium layers is limited. A raised strike point scenario is considered an alternative method for removing tritium from the ITER inner vertical divertor target by heating components via plasma flux. This paper presents SOLPS-ITER code simulations conducted under various conditions, assessing the divertor performance and tritium outgassing of the raised strike point scenario. As the strike point is raised, recycled neutrals are not efficiently baffled by the dome and scrape-off layer, significantly changing the neutral trajectory and ionization source distribution. This improves detachment accessibility but worsens core-edge compatibility compared to the baseline scenario. However, in the partially detached condition, the impact of raising the strike point, perpendicular transport, and q 95 on target heat flux is not significant, as it primarily scales with the input power. Target heat flux is translated to target surface temperature using a simplified heat transfer model that considers the 3D target monoblock geometry and active cooling condition, excluding Be layer thermal properties. For partially detached divertor conditions, the bulk tungsten monoblock surface temperature remains below the baking temperature, which is insufficient for efficient tritium outgassing under the actively cooled ITER divertor condition. However, considering the potential thermal contact resistance between the beryllium and tungsten layers, which may significantly impact temperature distribution, the temperature of the beryllium layer can be raised to a level sufficient for efficient tritium outgassing. Therefore, the raised strike point scenario can be considered as an alternative in-vessel tritium removal technique.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Thermokinetics of point defects in α-Fe 2 O 3

Abstract Point defect formation and migration in oxides governs a wide range of phenomena from corrosion kinetics and radiation damage evolution to electronic properties. In this study, we examine the thermodynamics and kinetics of anion and cation point defects using density functional theory in hematite ( α -Fe 2 O 3 ), an important iron oxide highly relevant in both corrosion of steels and water-splitting applications. These calculations indicate that the migration barriers for point defects can vary significantly with charge state, particularly for cation interstitials. Additionally, we find multiple possible migration pathways for many of the point defects in this material, related to the low symmetry of the corundum crystal structure. The possible percolation paths are examined, using the barriers to determine the magnitude and anisotropy of long-range diffusion. Our findings suggest highly anisotropic mass transport in hematite, favoring diffusion along the c -axis of the crystal. In addition, we have considered the point defect formation energetics using the largest Fe 2 O 3 supercell reported to date.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Gaia DR2 parallax zero-point: hierarchical modelling of red clump stars

ABSTRACT The systematic offset of Gaia parallaxes has been widely reported with Gaia’s second data release, and it is expected to persist in future Gaia data. In order to use Gaia parallaxes to infer distances to high precision, we develop a hierarchical probabilistic model to determine the Gaia parallax zero-point offset along with the calibration of an empirical model for luminosity of red clump stars by combining astrometric and photometric measurements. Using a cross-matched sample of red clump stars from the Apache Point Observatory Galactic Evolution Experiment and Gaia Data Release 2 (DR2), we report the parallax zero-point offset in DR2 to be $\varpi _0 = -48 \pm 1\,\mu \text{as}$. We infer the red clump absolute magnitude to be −1.622 ± 0.004 in Ks, 0.435 ± 0.004 in G, −1.019 ± 0.004 in J, and −1.516 ± 0.004 in H. The intrinsic scatter of the red clump is ∼0.09 mag in J, H, and Ks, or ∼ 0.12 mag in G. We tailor our models to accommodate more complex analyses such as investigating the variations of the parallax zero-point with each source’s observed magnitude, observed colour, and sky position. In particular, we find fluctuations of the zero-point across the sky to be of order or less than a few 10s of $\mu \text{as}$.

Chan, Victor C.↗
DOE OSTI2019

Computing three-point correlation function randoms counts without the randoms catalogue

ABSTRACT As we move towards future galaxy surveys, the three-point statistics will be increasingly leveraged to enhance the constraining power of the data on cosmological parameters. An essential part of the three-point function estimation is performing triplet counts of synthetic data points in random catalogues. Since triplet counting algorithms scale at best as $\mathcal {O}(N^2\log N)$ with the number of particles and the random catalogues are typically at least 50 times denser than the data; this tends to be by far the most time-consuming part of the measurements. Here, we present a simple method of computing the necessary triplet counts involving uniform random distributions through simple one-dimensional integrals. The method speeds up the computation of the three-point function by orders of magnitude, eliminating the need for random catalogues, with the simultaneous pair and triplet counting of the data points alone being sufficient.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Classification of critical points in energy bands based on topology, scaling, and symmetry

A critical point of the energy dispersion is the momentum where electron velocity vanishes. At the corresponding energy, the density of states (DOS) exhibits nonanalyticity such as divergence. Critical points can be first classified as ordinary and high-order ones, and the ordinary critical points have been studied thoroughly by Léon van Hove, whose DOS is particle-hole symmetric and logarithmically divergent. In this work, we describe and classify high-order critical points based on topology, scaling, and symmetry. Specifically, we show that high-order critical points can have power-law-divergent DOS with particle-hole asymmetry, and can be realized at generic or symmetric momenta by tuning a few parameters such as twist angle, strain, pressure, and/or external fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Weyl points created by a three-dimensional flat band

Following the discovery of topological insulators (TIs), topological Dirac/Weyl semimetal has attracted much recent interest. A prevailing mechanism for the formation of Weyl points is by breaking time-reversal symmetry (TRS) or spatial inversion symmetry of a Dirac point. Here we demonstrate a generic formation mechanism for Weyl points by breaking TRS of a three-dimensional (3D) TI featured with highly degenerate 3D flat bands (FBs). It is in direct contrast to the conventional view that breaking TRS of a 2D/3D TI leads to a Chern insulator exhibiting quantum anomalous Hall effect. Based on a tight-binding model of pyrochlore lattice, we show that this unusual 3D-FB-enabled Weyl state may contain only a minimum of two Weyl points. Furthermore, using first-principles calculations, we identify this Weyl state in a real material Sn 2 Nb 2 O 7 . The main features of the resulting Weyl points are analyzed with respect to symmetry, topological invariant and surface state. Finally, our finding sheds new light on our fundamental understanding of topological physics and significantly extends the scope of Weyl semimetals to attract immediate experimental interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Diabatic paths through the scission point in nuclear fission

An outstanding problem in the theory of nuclear fission is to understand the Hamiltonian dynamics at the scission point. In this work the fissioning nucleus is modeled in self-consistent mean-field theory as a set of generator coordinate method (GCM) configurations passing through the scission point. In contrast to previous methods, the configurations are constructed in the Hartree-Fock approximation with axially symmetric mean fields and using the K -partition numbers as additional constraints. The goal of this work is to find paths through the scission point where the overlaps between neighboring configurations are large. A measure of distance along the path is proposed that is insensitive to the division of the path into short segments. For most of the tested K partitions two shape degrees of freedom are adequate to define smooth paths. However, some of the configurations and candidate paths have sticking points where there are substantial changes in the many-body wave function, especially if quasiparticle excitations are present. The excitation energy deposited in fission fragments arising from thermal excitations in the pre-scission configurations is determined by tracking orbital occupation numbers along the scission paths. This allows us to assess the validity of the well-known scission-point statistical model, in which the scission process is assumed to be fully equilibrated up to the separated fission fragments. The nucleus 236 U is taken as a representative example in the calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Particle-number fluctuations near the critical point of nuclear matter

Equation of state with the quantum statistics corrections is used for particle-number fluctuations ω of the isotopically symmetric nuclear matter with interparticle van der Waals and Skyrme local density interactions. Here, the fluctuations, ω ∝ 1/K, are analytically derived through the isothermal incompressibility K at first order over a small quantum-statistics parameter. Our approximate analytical results appear to be in good agreement with the results of accurate numerical calculations. These results are also close to those obtained by using more accurate Tolman and Rowlinson expansions of the incompressibility K near the critical point. More general formula for fluctuations ω, improved at the critical point, was obtained for a finite particle-number average $\langle$N$\rangle$ by neglecting, for simplicity, small quantum statistics effects. It is shown that for a large dimensionless parameter, α ∝ K 2 $\langle$N$\rangle$/K", where K" is the second derivative of the incompressibility K as function of the average particle density n, far from the critical point (α >> 1), one finds the traditional asymptote, ω ∝ 1/K, for the fluctuations ω. For a small parameter, α << 1, near the critical point, where K = 0 and α = 0, one obtains another asymptote of ω. These fluctuations, having a maximum near the critical point as function of the average density n, for finite values of $\langle$N$\rangle$ are finite and relatively small, in contrast to the results of the traditional calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Soft pions and transport near the chiral critical point

During the expansion of a heavy ion collision, the system passes close to the $\textit{O}$(4) critical point of QCD, and thus the fluctuations of the order parameter $(σ, \overrightarrow{π}$) are expected to be enhanced. In this work, our goal is to compute how these enhanced fluctuations modify the transport coefficients of QCD near the pseudocritical point. We also make a phenomenological estimate for how chiral fluctuations could effect the momentum spectrum of soft pions. We first formulate the appropriate stochastic hydrodynamic equations close to the $\textit{O}$(4) critical point. Then, working in mean field, we determine the correlation functions of the stress tensor and the currents which result from this stochastic real-time theory, and use these correlation functions to determine the scaling behavior of the transport coefficients. The hydrodynamic theory also describes the propagation of pion waves, fixing the scaling behavior of the dispersion curve of soft pions. We present scaling functions for the shear viscosity and the charge conductivities near the pseudocritical point and estimate the absolute magnitude of the critical fluctuations to these parameters and the bulk viscosity. Using the calculated pion dispersion curve, we estimate the expected critical enhancement of soft pion yields, and this estimate provides a plausible explanation for the excess seen in experiment relative to ordinary hydrodynamic computations. Our results motivate further phenomenological and numerical work on the implications of chiral symmetry on real-time properties of thermal QCD near the pseudocritical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗