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Results for “FUNCTIONAL MODELS”

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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Theoretical modeling of electron mobility in superfluid {sup 4}He

The Orsay-Trento bosonic density functional theory model is extended to include dissipation due to the viscous response of superfluid {sup 4}He present at finite temperatures. The viscous functional is derived from the Navier-Stokes equation by using the Madelung transformation and includes the contribution of interfacial viscous response present at the gas-liquid boundaries. This contribution was obtained by calibrating the model against the experimentally determined electron mobilities from 1.2 K to 2.1 K along the saturated vapor pressure line, where the viscous response is dominated by thermal rotons. The temperature dependence of ion mobility was calculated for several different solvation cavity sizes and the data are rationalized in the context of roton scattering and Stokes limited mobility models. Results are compared to the experimentally observed “exotic ion” data, which provides estimates for the corresponding bubble sizes in the liquid. Possible sources of such ions are briefly discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

The three-point function as a probe of models for large-scale structure

We analyze the consequences of models of structure formation for higher order (n-point) galaxy correlation functions in the mildly nonlinear regime. Several variations of the standard Omega = 1 cold dark matter model with scale-invariant primordial perturbations have recently been introduced to obtain more power on large scales, R(sub p) is approximately 20/h Mpc, e.g., low matter-density (nonzero cosmological constant) models, 'tilted' primordial spectra, and scenarios with a mixture of cold and hot dark matter. They also include models with an effective scale-dependent bias, such as the cooperative galaxy formation scenario of Bower et al. We show that higher-order (n-point) galaxy correlation functions can provide a useful test of such models and can discriminate between models with true large-scale power in the density field and those where the galaxy power arises from scale-dependent bias: a bias with rapid scale dependence leads to a dramatic decrease of the the hierarchical amplitudes Q(sub J) at large scales, r is greater than or approximately R(sub p). Current observational constraints on the three-point amplitudes Q(sub 3) and S(sub 3) can place limits on the bias parameter(s) and appear to disfavor, but not yet rule out, the hypothesis that scale-dependent bias is responsible for the extra power observed on large scales.

Frieman, Joshua A.↗
DOE OSTI2021

Investigating the Accuracy of Water Models through the Van Hove Correlation Function

In this study, we present molecular-simulation-based calculations of the Van Hove correlation function (VHF) of water using multiple modeling approaches: classical molecular dynamics with simple three-site nonpolarizable models, with a polarizable model, and with a reactive force field; density functional tight-binding molecular dynamics; and ab initio molecular dynamics. Due to the many orders of magnitude difference in the computational cost of these approaches, we investigate how small and short the simulations can be while still yielding sufficiently accurate and interpretable results for the VHF. We investigate the accuracy of the different models by comparing them to recently published inelastic X-ray scattering measurements of the VHF. We find that all of the models exhibit qualitative agreement with the experiments, and in some models and for some properties, the agreement is quantitative. This work lays the foundation for future simulation approaches to calculating the VHF for aqueous solutions in bulk and under nanoconfinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Can one identify the intrinsic structure of the yrast states in {sup 48}Cr after the backbending?

The backbending phenomenon in {sup 48}Cr has been investigated using the recently developed projected configuration interaction (PCI) method, in which the deformed intrinsic states are directly associated with shell model wave functions. Two previous explanations, (i) K=0 band crossing and (ii) K=2 band crossing, have been reinvestigated using PCI, and it was found that both explanations can successfully reproduce the experimental backbending. The PCI wave functions in the pictures of K=0 band crossing and K=2 band crossing are highly overlapped. We conclude that there are no unique intrinsic states associated with the yrast states after backbending in {sup 48}Cr.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

The propagation and growth of whistler mode waves generated by electron beams in earth's bow shock

In this study, the propagation and growth of whistler mode waves generated by electron beams within earth's bow shock is investigated using a planar model for the bow shock and a model electron distribution function. Within the shock, the model electron distribution function possesses a field-aligned T greater than T beam that is directed toward the magnetosheath. Waves with frequencies between about 1 and 100 Hz with a wide range of wave normal angles are generated by the beam via Landau and anomalous cyclotron resonances. However, because the growth rate is small and because the wave packets traverse the shock quickly, these waves do not attain large amplitudes. Waves with frequencies between about 30 and 150 Hz with a wide range of wave normal angles are generated by the beam via the normal cyclotron resonance. The ray paths for most of these waves are directed toward the solar wind although some wave packets, due to plasma convection travel transverse to the shock normal. These wave packets grow to large amplitudes because they spend a long time in the growth region. The results suggest that whistler mode noise within the shock should increase in amplitude with increasing upstream theta sub Bn. The study provides an explanation for the origin of much of the whistler mode turbulence observed at the bow shock.

Tokar, R. L.↗
DOE OSTI2021

Approximating and incorporating model uncertainty in an inversion for seismic source functions: Preliminary results

We present preliminary work on propagating model uncertainty into the estimation of the time domain source time functions of the seismic source. Our method is based on an estimated model covariance function, which we estimate from the data. The model covariance function is then used to construct a suite of surrogate Greens functions which we use in a Monte Carlo type inversion scheme. The result is a probability density function of the six independent source time functions, each of which corresponds to an individual component of the seismic moment tensor. We compare the results of our method with those obtained using a computationally expensive finite difference Monte Carlo method and find that our new method produces results that are deficient in low frequencies. The advantage of our new method, which we term the Karhunen-Loeve Monte Carlo (KLMC) method, is that is several orders of magnitude faster than our current method, which uses a finite difference scheme to produce the suite of forward models.

42 ENGINEERING↗