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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

First-principles equation of state and electronic properties of warm dense oxygen

We perform all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of oxygen. Our simulations cover a wide density-temperature range of 1–100 g cm{sup −3} and 10{sup 4}–10{sup 9} K. By combining results from PIMC and DFT-MD, we are able to compute pressures and internal energies from first-principles at all temperatures and provide a coherent equation of state. We compare our first-principles calculations with analytic equations of state, which tend to agree for temperatures above 8 × 10{sup 6} K. Pair-correlation functions and the electronic density of states reveal an evolving plasma structure and ionization process that is driven by temperature and density. As we increase the density at constant temperature, we find that the ionization fraction of the 1s state decreases while the other electronic states move towards the continuum. Finally, the computed shock Hugoniot curves show an increase in compression as the first and second shells are ionized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

A computationally efficient model for turbulent droplet dispersion in spray combustion

A novel model for turbulent droplet dispersion is formulated having significantly improved computational efficiency in comparison to the conventional point source stochastic sampling methodology. In the proposed model, a computational parcel representing a group of physical particles is considered to have a normal (Gaussian) probability density function (PDF) in three-dimensional space. The mean of each PDF is determined by Lagrangian tracking of each computational parcel, either deterministically or stochastically. The variance is represented by a turbulence-induced mean squared dispersion which is based on statistical inferences from the linearized direct modeling formulation for particle/eddy interactions. Convolution of the computational parcel PDF's produces a single PDF for the physical particle distribution profile. The validity of the new model is established by comparison with the conventional stochastic sampling method, where in each parcel is represented by a delta function distribution, for non-evaporating particles injected into simple turbulent air flows.

Litchford, Ron J.↗
DOE OSTI2018

A semi-empirical molecular statistical thermodynamic model for calculating standard molar Gibbs energies of aqueous species above and below the critical point of water

An increasing number of industrial applications rely on controlling solutes in water above and below its critical point. Processes such as hydrothermal synthesis, steam power generation and ultra-high enthalpy geothermal power are all influenced by factors such as mineral precipitation, pH and solute speciation. Here, the supercritical point of water is remarkable in that slight changes in temperature and pressure can cause dramatic changes in some solute properties. Here, it was found that our approach reliant on molecular statistical thermodynamic expressions for hard sphere (HS), ion-dipole and dipole-dipole interactions via mean spherical approximation (MSA) provided excellent agreement to available experimental data. In addition to model parameters having some physical meaning, this approach used less adjustable parameters than the well-known Helgeson-Kirkham-Flowers (HKF) model. Furthermore, the model was used to obtain standard thermodynamic values for HCl 0 (aq), KCl 0 (aq) and NaOH 0 (aq) ion pairs. In total, modeling parameters for 10 different aqueous species were obtained to demonstrate the capabilities of the approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Measurement of ω meson production in pp collisions at $\sqrt{s}$ = 13 TeV

The p T -differential cross section of ω meson production in pp collisions at $\sqrt{s}$ =13 TeV at midrapidity (|y| < 0.5) was measured with the ALICE detector at the LHC, covering an unprecedented transverse-momentum range of 1.6 < p T < 50 GeV/c. The meson is reconstructed via the ω → π + π − π 0 decay channel. The results are compared with various theoretical calculations: PYTHIA8.2 with the Monash 2013 tune overestimates the data by up to 50%, whereas good agreement is observed with Next-to-Leading Order (NLO) calculations incorporating ω fragmentation using a broken SU(3) model. The ω/π 0 ratio is presented and compared with theoretical calculations and the available measurements at lower collision energies. The presented data triples the p T ranges of previously available measurements. A constant ratio of C ω/π0 = 0.578 ± 0.006 (stat.) ± 0.013 (syst.) is found above a transverse momentum of 4 GeV/c, which is in agreement with previous findings at lower collision energies within the systematic and statistical uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping

Employing the recently developed isomorphic Hamiltonian framework for including nuclear quantum effects in mixed quantum–classical nonadiabatic dynamics, we present a flux-side formulation of state-resolved thermal reaction rates for ring-polymer surface hopping (iso-RPSH). An appealing aspect of the new approach is that calculation of multiple state-resolved nonadiabatic thermal reaction rates is enabled with only a single free-energy surface calculation, whereas previous nonadiabatic flux-side formulations for surface hopping involve multiple free-energy surface calculations. In conclusion, the method is shown to be robust and straightforwardly implemented, and numerical results reveal that RPSH in the isomorphic Hamiltonian framework leads to better dividing surface independence than alternative RPSH methods due to improved preservation of the path-integral statistics.

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

Cirrus cloud-temperature interactions over a tropical station, Gadanki from lidar and satellite observations

The cirrus clouds play an important role in the radiation budget of the earth's atmospheric system and are important to characterize their vertical structure and optical properties. LIDAR measurements are obtained from the tropical station Gadanki (13.5{sup 0} N, 79.2{sup 0} E), India, and meteorological indicators derived from Radiosonde data. Most of the cirrus clouds are observed near to the tropopause, which substantiates the strength of the tropical convective processes. The height and temperature dependencies of cloud height, optical depth, and depolarization ratio were investigated. Cirrus observations made using CALIPSO satellite are compared with lidar data for systematic statistical study of cirrus climatology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Benchmarking structural evolution methods for training of machine learned interatomic potentials

When creating training data for machine-learned interatomic potentials (MLIPs), it is common to create initial structures and evolve them using molecular dynamics (MD) to sample a larger configuration space. Here, we benchmark two other modalities of evolving structures, contour exploration (CE) and dimer-method (DM) searches against MD for their ability to produce diverse and robust density functional theory training data sets for MLIPs. We also discuss the generation of initial structures which are either from known structures or from random structures in detail to further formalize the structure-sourcing processes in the future. The polymorph-rich zirconium-oxygen composition space is used as a rigorous benchmark system for comparing the performance of MLIPs trained on structures generated from these structural evolution methods. Using Behler–Parrinello neural networks as our MLIP models, we find that CE and the DM searches are generally superior to MD in terms of spatial descriptor diversity and statistical accuracy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Neutron-$\gamma$ competition for β-delayed neutron emission

Here we present a coupled quasiparticle random phase approximation and Hauser-Feshbach (QRPA+HF) model for calculating delayed particle emission. This approach uses microscopic nuclear structure information, which starts with Gamow-Teller strength distributions in the daughter nucleus and then follows the statistical decay until the initial available excitation energy is exhausted. Explicitly included at each particle emission stage is γ-ray competition. We explore this model in the context of neutron emission of neutron-rich nuclei and find that neutron-γ competition can lead to both increases and decreases in neutron emission probabilities, depending on the system considered. Finally, a second consequence of this formalism is a prediction of more neutrons on average being emitted after β decay for nuclei near the neutron drip line compared to models that do not consider the statistical decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

α -decay energies of superheavy nuclei: Systematic trends

Background: New superheavy nuclei are often identified through their characteristic α -decay energies, which requires accurate calculations of Q α values. While many Q α predictions are available, little is known about their uncertainties, and this makes it difficult to carry out extrapolations to as-yet-unknown systems. Purpose: This work aims to analyze several models, compare their predictions to available experimental data, and study their performance for the unobserved α-decay chains of 296 120 and 298 120, which are of current experimental interest. Our quantified results will also serve as a benchmark for future, more sophisticated statistical studies. Methods: We use nuclear superfluid density functional theory (DFT) with several Skyrme energy density functionals (EDFs). To estimate systematic model uncertainties, we employ uniform model averaging. Results: We investigated the Q α values for even-even nuclei from Fm to Z = 120 . For well-deformed nuclei between Fm and Ds, we find excellent consistency between different model predictions, and a good agreement with experimental results. For transitional nuclei beyond Ds, intermodel differences grow, resulting in an appreciable systematic error. In particular, our models underestimate Q α for the heaviest nucleus 294 Og. Conclusions The robustness of DFT predictions for well-deformed superheavy nuclei supports the idea of using experimental Q α values, together with theoretical predictions, as reasonable ( Z, A ) indicators. Unfortunately, this identification method is not projected to work well in the region of deformed-to-spherical shape transition as one approaches N = 184 . The use of Q α values in the identification of new superheavy nuclei will benefit greatly from progress in developing both new spectroscopic-quality EDFs and more sophisticated statistical techniques of uncertainty quantification.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Measurement of the Born cross section for 𝑒 +⁢ 𝑒 − → 𝜂⁢ℎ 𝑐 at center-of-mass energies between 4.1 and 4.6 GeV

We measure the Born cross section for the reaction 𝑒 + ⁢𝑒 − → 𝜂⁢ℎ 𝑐 from $\sqrt{𝑠}$ = 4.129 to 4.600 GeV using datasets collected by the BESIII detector running at the BEPCII collider. A resonant structure in the cross-section line shape near 4.200 GeV is observed with a statistical significance of 7⁢𝜎. The parameters of this resonance are measured to be 𝑀 = 4188.8 ± 4.7 ± 8.0 MeV/𝑐 2 and Γ = 49 ± 16 ± 19 MeV, where the first uncertainties are statistical and the second systematic.

exotic mesons↗
DOE OSTI2013

Recent study for multibaryon states with strangeness in pC interaction at 10 GeV/c

Strange multibaryon states with {Lambda}-hyperon and K{sub s}{sup 0} -meson subsystems has been studied from 700 000 stereo photographs or 10{sup 6} inelastic interactions which was obtained from expose of 2-m propane bubble chamber (PBC) LHEP, JINR to proton beams at 10 GeV/c. The obtained results from PBC can be divided into three subjects: in-medium effects of hadronic particles; baryon spectroscopy; hyper-nucleus production. At present the experimental situation is confused; so is theory. New accelerator research complexes has unique possibility for high-statistic and 4{pi}-geometry study of exotic states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

DES-Y3 galaxies & ACT DR4 CMB lensing tomography

We present a measurement of the cross-correlation between the \maglim galaxies selected from the Dark Energy Survey (DES) first three years of observations (Y3) and cosmic microwave background (CMB) lensing from the Atacama Cosmology Telescope (ACT) Data Release 4 (DR4), reconstructed over $\sim 436$ $\sqdeg$ of the sky. Our galaxy sample, which covers $\sim 4143$ $\sqdeg$, is divided into six redshift bins spanning the redshift range of $0.20<z<1.05$. We adopt a blinding procedure until passing all consistency and systematics tests. After imposing scale cuts for the cross-power spectrum measurement, we reject the null hypothesis of no correlation at 9.1$\sigma$. We constrain cosmological parameters from a joint analysis of galaxy and CMB lensing-galaxy power spectra considering a flat \LCDM model, marginalized over 23 astrophysical and systematic nuisance parameters. We find the clustering amplitude $S_8\equiv \sigma_8 (\Omega_m/0.3)^{0.5} = 0.75^{+0.04}_{-0.05}$. In addition, we co nstrain the linear growth of cosmic structure as a function of redshift. Our results are consistent with recent DES Y3 analyses and suggest a preference for a lower $S_8$ compared to results from measurements of CMB anisotropies by the \textit{Planck} satellite, although at a mild level ($< 2 \sigma$) of statistical significance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1969

Wave propagation in a random medium

A simple technique is used to derive statistical characterizations of the perturbations imposed upon a wave (plane, spherical or beamed) propagating through a random medium. The method is essentially physical rather than mathematical, and is probably equivalent to the Rytov method. The limitations of the method are discussed in some detail; in general they are restrictive only for optical paths longer than a few hundred meters, and for paths at the lower microwave frequencies. Situations treated include arbitrary path geometries, finite transmitting and receiving apertures, and anisotropic media. Results include, in addition to the usual statistical quantities, time-lagged functions, mixed functions involving amplitude and phase fluctuations, angle-of-arrival covariances, frequency covariances, and other higher-order quantities.

Lee, R. W.↗
DOE OSTI2014

Statistics of scattered photons from a driven three-level emitter in 1D open space

We derive the statistics of scattered photons from a Λ- or ladder-type three-level emitter (3LE) embedded in a 1D open waveguide. The weak probe photons in the waveguide are coupled to one of the two allowed transitions of the 3LE, and the other transition is driven by a control beam. This system shows electromagnetically induced transparency (EIT) which is accompanied with the Autler-Townes splitting (ATS) at a strong driving by the control beam, and some of these effects have been observed recently. We show that the nature of second-order coherence of the transmitted probe photons near two-photon resonance changes from bunching to antibunching to constant as strength of the control beam is ramped up from zero to a higher value where the ATS appears.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Astrophysical S -factors, Thermonuclear Rates, and Electron Screening Potential for the 3 He(d,p) 4 He Big Bang Reaction via a Hierarchical Bayesian Model

Here, we developed a hierarchical Bayesian framework to estimate S-factors and thermonuclear rates for the 3 He(d,p) 4 He reaction, which impacts the primordial abundances of 3 He and 7 Li. The available data are evaluated and all direct measurements are taken into account in our analysis for which we can estimate separate uncertainties for systematic and statistical effects. For the nuclear reaction model, we adopt a single-level, two-channel approximation of R-matrix theory, suitably modified to take the effects of electron screening at lower energies into account. In addition to the usual resonance parameters (resonance location and reduced widths for the incoming and outgoing reaction channel), we include the channel radii and boundary condition parameters in the fitting process. Our new analysis of the 3 He(d,p) 4 He S-factor data results in improved estimates for the thermonuclear rates. This work represents the first nuclear rate evaluation using R-matrix theory embedded into a hierarchical Bayesian framework, properly accounting for all known sources of uncertainty. Therefore, it provides a test bed for future studies of more complex reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Origin of structure: statistical characterization of the primordial density fluctuations and the collapse of the wave function

The statistical properties of the primordial density perturbations has been considered in the past decade as a powerful probe of the physical processes taking place in the early universe. Within the inflationary paradigm, the properties of the bispectrum are one of the keys that serves to discriminate among competing scenarios concerning the details of the origin of cosmological perturbations. However, all of the scenarios, based on the conventional approach to the so-called ''quantum-to-classical transition'' during inflation, lack the ability to point out the precise physical mechanism responsible for generating the inhomogeneity and anisotropy of our universe starting from and exactly homogeneous and isotropic vacuum state associated with the early inflationary regime. In past works, we have shown that the proposals involving a spontaneous dynamical reduction of the quantum state provide plausible explanations for the birth of said primordial inhomogeneities and anisotropies. In the present manuscript we show that, when considering within the context of such proposals, the characterization of the spectrum and bispectrum turn out to be quite different from those found in the traditional approach, and in particular, some of the statistical features, must be treated in a different way leading to some rather different conclusions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Minima of the fluctuations of the order parameter of global seismicity

It has been recently shown [N. V. Sarlis, Phys. Rev. E 84, 022101 (2011) and N. V. Sarlis and S.-R. G. Christopoulos, Chaos 22, 023123 (2012)] that earthquakes of magnitude M greater or equal to 7 are globally correlated. Such correlations were identified by studying the variance κ{sub 1} of natural time which has been proposed as an order parameter for seismicity. Here, we study the fluctuations of this order parameter using the Global Centroid Moment Tensor catalog for a magnitude threshold M{sub thres} = 5.0 and focus on its behavior before major earthquakes. Natural time analysis reveals that distinct minima of the fluctuations of the order parameter of seismicity appear within almost five and a half months on average before all major earthquakes of magnitude larger than 8.4. This phenomenon corroborates the recent finding [N. V. Sarlis et al., Proc. Natl. Acad. Sci. U.S.A. 110, 13734 (2013)] that similar minima of the seismicity order parameter fluctuations had preceded all major shallow earthquakes in Japan. Moreover, on the basis of these minima a statistically significant binary prediction method for earthquakes of magnitude larger than 8.4 with hit rate 100% and false alarm rate 6.67% is suggested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Comparison of classical statistical methods and artificial neural network in traffic noise prediction

Traffic is the main source of noise in urban environments and significantly affects human mental and physical health and labor productivity. Therefore it is very important to model the noise produced by various vehicles. Techniques for traffic noise prediction are mainly based on regression analysis, which generally is not good enough to describe the trends of noise. In this paper the application of artificial neural networks (ANNs) for the prediction of traffic noise is presented. As input variables of the neural network, the proposed structure of the traffic flow and the average speed of the traffic flow are chosen. The output variable of the network is the equivalent noise level in the given time period L{sub eq}. Based on these parameters, the network is modeled, trained and tested through a comparative analysis of the calculated values and measured levels of traffic noise using the originally developed user friendly software package. It is shown that the artificial neural networks can be a useful tool for the prediction of noise with sufficient accuracy. In addition, the measured values were also used to calculate equivalent noise level by means of classical methods, and comparative analysis is given. The results clearly show that ANN approach is superior in traffic noise level prediction to any other statistical method. - Highlights: • We proposed an ANN model for prediction of traffic noise. • We developed originally designed user friendly software package. • The results are compared with classical statistical methods. • The results are much better predictive capabilities of ANN model.

54 ENVIRONMENTAL SCIENCES↗