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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Recent progress in the microscopic description of small and large amplitude collective motion

Dynamical mean-field theory has recently attracted much interests to provide a unified framework for the description of many aspects of nuclear dynamics [1, 2, 3, 4, 5] (for recent reviews see [6, 7]). In particular, the inclusion of pairing correlation has opened new perspectives [8, 9, 10, 11, 12]. A summary of recent applications including giant resonances and transfer reactions will be made in this talk [13, 14, 15, 16]. While new progresses have been made with the use of sophisticated effective interactions and the development of symmetry unrestricted applications, mean-field dynamics suffer from the poor treatment of quantum fluctuations in collective space. As a consequence, these theories are successful in describing average properties of many different experimental observations but generally fail to account realistically for the width of experimental distribution. The increase of predictive power of dynamical mean-field theory is facing the difficulty of going beyond the independent particle or quasi-particle picture. Nevertheless, in the last decade, novel methods have been proposed to prepare the next generation of microscopic mean-field codes able to account for both average properties and fluctuations around the average. A review of recent progresses in this direction as well as recent applications to heavy-ion collisions will be given [17, 18].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A new Skyrme energy density functional for a better description of spin-isospin resonances

A correct determination of the isospin and spin-isospin properties of the nuclear effective interaction should lead to an accurate description of the Gamow-Teller resonance (GT), the Spin Dipole Resonance (SDR), the Giant Dipole Resonance (GDR) or the Antianalog Giant Dipole Resonance (AGDR), among others. A new Skyrme energy density functional named SAMi is introduced with the aim of going a step forward in setting the bases for a more precise description of spin-isospin resonances [1, 2]. In addition, we will discuss some new features of our analysis on the AGDR in {sup 208}Pb [3] as compared with available experimental data on this resonance [4, 5, 6], and on the GDR [7]. Such study, guided by a simple yet physical pocket formula, has been developed by employing the so called SAMi-J family of systematically varied interactions. This set of interactions is compatible with experimental data for values of the symmetry energy at saturation J and slope parameter L falling in the ranges 31−33 MeV and 75−95 MeV, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

GPU simulation of nonlinear propagation of dual band ultrasound pulse complexes

In a new method of ultrasound imaging, called SURF imaging, dual band pulse complexes composed of overlapping low frequency (LF) and high frequency (HF) pulses are transmitted, where the frequency ratio LF:HF ∼ 1 : 20, and the relative bandwidth of both pulses are ∼ 50 − 70%. The LF pulse length is hence ∼ 20 times the HF pulse length. The LF pulse is used to nonlinearly manipulate the material elasticity observed by the co-propagating HF pulse. This produces nonlinear interaction effects that give more information on the propagation of the pulse complex. Due to the large difference in frequency and pulse length between the LF and the HF pulses, we have developed a dual level simulation where the LF pulse propagation is first simulated independent of the HF pulse, using a temporal sampling frequency matched to the LF pulse. A separate equation for the HF pulse is developed, where the the presimulated LF pulse modifies the propagation velocity. The equations are adapted to parallel processing in a GPU, where nonlinear simulations of a typical HF beam of 10 MHz down to 40 mm is done in ∼ 2 secs in a standard GPU. This simulation is hence very useful for studying the manipulation effect of the LF pulse on the HF pulse.

42 ENGINEERING↗
DOE OSTI2015

Linear oscillation of gas bubbles in a viscoelastic material under ultrasound irradiation

Acoustically forced oscillation of spherical gas bubbles in a viscoelastic material is studied through comparisons between experiments and linear theory. An experimental setup has been designed to visualize bubble dynamics in gelatin gels using a high-speed camera. A spherical gas bubble is created by focusing an infrared laser pulse into (gas-supersaturated) gelatin gels. The bubble radius (up to 150 μm) under mechanical equilibrium is controlled by gradual mass transfer of gases across the bubble interface. The linearized bubble dynamics are studied from the observation of spherical bubble oscillation driven by low-intensity, planar ultrasound driven at 28 kHz. It follows from the experiment for an isolated bubble that the frequency response in its volumetric oscillation was shifted to the high frequency side and its peak was suppressed as the gelatin concentration increases. The measurement is fitted to the linearized Rayleigh–Plesset equation coupled with the Voigt constitutive equation that models the behavior of linear viscoelastic solids; the fitting yields good agreement by tuning unknown values of the viscosity and rigidity, indicating that more complex phenomena including shear thinning, stress relaxation, and retardation do not play an important role for the small-amplitude oscillations. Moreover, the cases for bubble-bubble and bubble-wall systems are studied. The observed interaction effect on the linearized dynamics can be explained as well by a set of the Rayleigh–Plesset equations coupled through acoustic radiation among these systems. This suggests that this experimental setup can be applied to validate the model of bubble dynamics with more complex configuration such as a cloud of bubbles in viscoelastic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Widely tunable and monochromatic terahertz difference frequency generation with organic crystal 2-(3-(4-hydroxystyryl)-5,5-dime-thylcyclohex-2-enylidene) malononitrile

We report an experimental study on widely tunable terahertz (THz) wave difference frequency generation (DFG) with hydrogen-bonded crystals 2-(3-(4-hydroxystyryl)-5,5-dime-thylcyclohex-2-enylidene) malononitrile (OH1). The organic crystals were pumped by a ∼1.3 μm double-pass KTiOPO{sub 4} optical parametric oscillator. A tuning range of 0.02–20 THz was achieved. OH1 crystals offer a long effective interaction length (also high output) for the generation below 3 THz, owing to the low absorption and favorable phase-matching. The highest energy of 507 nJ/pulse was generated at 1.92 THz with a 1.89-mm-thick crystal. Comprehensive explanations were provided, on the basis of theoretical calculations. Cascading phenomenon during the DFG process was demonstrated. The photon conversion efficiency could reach 2.9%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Study of yrast structures in {sup 55,57}Cr

The characteristic nuclear structure properties of yrast bands of {sup 55,57}Cr have been investigated by using two body effective interactions incorporated in phenomenological axial framework. In order to check the validity of the chosen framework as well as chosen valence space, the calculated results are compared with the available experimental data and a good agreement has been found from the comparison. The back-bending in moment of inertia has also been studied and attributed to the alignment of odd g{sub 9/2} neutron along the rotation axis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Detection of internal fields in double-metal terahertz resonators

(THz) plasmonic double-metal resonators enable enhanced light-matter coupling by utilizing strong localization of the resonant field. The closed resonator design however restricts investigations of the light-matter interaction effects. We propose and demonstrate a method for spatial mapping and spectroscopic analysis of the internal resonant THz fields in plasmonic double-metal THz resonators. We use the aperture-type scanning near-field THz time-domain microscopy and the concept of image charges to probe the THz fields confined within the resonator. The experimental method opens doors to studies of light-matter coupling in deeply sub-wavelength volumes at THz frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Sub-system self-consistency in coupled cluster theory

Here, in this article, we provide numerical evidence indicating that the single-reference coupled-cluster (CC) energies can be calculated alternatively to their copybook definition. We demonstrate that the CC energy can be reconstructed by diagonalizing the effective Hamiltonians describing correlated sub-systems of the many-body system. In the extreme case, we provide numerical evidence that the CC energy can be reproduced through the diagonalization of the effective Hamiltonian describing sub-system composed of a single electron. These properties of the CC formalism can be exploited to design protocols to define effective interactions in sub-systems used as probes to calculate the energy of the entire system and introduce a new type of self-consistency for approximate CC approaches.

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

Superconducting microwave cavities and qubits for quantum information systems

Superconducting microwave cavities featuring ultrahigh Q-factors, which measure the efficiency of energy storage in relation to energy loss in a system, are revolutionizing quantum computing by providing long coherence times exceeding 1 ms, crucial for the development of scalable multi-qubit quantum systems with low error rates. Here, in this work, we provide an in-depth analysis of recent advances in ultrahigh Q-factor cavities, integration of Josephson junction-based qubits, and bosonic-encoded qubits in 3D cavities. We examine the sources of quantum state dephasing caused by damping and noise mechanisms in cavities and qubits, highlighting the critical challenges that need to be addressed to achieve even higher coherence times. We critically survey the latest progress made in implementing single 3D qubits using superconducting materials, normal metals, and multi-qubit and multi-state quantum systems. Our work sheds light on the promising future of this research area, including novel materials for cavities and qubits, modes with nontrivial topological properties, error correction techniques for bosonic qubits, and new light–matter interaction effects.

3D printing↗
DOE OSTI2026

Quantum fluctuations in dense plasma simulations

Molecular dynamics (MD) simulations are a powerful tool for modeling warm and hot dense matter. Density functional theory (DFT) MD simulations are often preferred in dense plasmas in order to accurately model quantum electronic structure. However, DFT-MD simulations neglect interaction effects due to fluctuations in excited states. In this work, we present an MD approach that uses excited state method pseudoatoms to run dense plasma simulations with many different core-electron configurations at classical MD speeds. We also allow for transitions between different configurations in our simulations and find that these fluctuations are especially important for highly excited states. Our results suggest that finite configuration lifetimes that are comparable to the inverse ion plasma frequency need to be accounted for in order to accurately model ion distributions in dense plasma simulations. We also demonstrate that excited state fluctuations have a direct impact on ion plasma microfields, generate different plasma microfields for different excitation levels, and thereby induce absorption–emission line shape asymmetries even in steady-state plasmas.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Molecular dynamics based study on the effects of cation size on the local structure and diffusion in polymerized ionic liquids

We have used coarse-grained molecular dynamics simulations to understand the effect of cation size on ion diffusion in polymerized ionic liquids at temperatures well above the glass transition temperature of the polymers. We investigated dependencies of the diffusion constant on the cation radius and static dielectric constant and interpreted these results in terms of underlying structural changes, and decoupling phenomenon. We have found non-monotonic effects of the cation radius on the diffusion constant, with a maximum at an intermediate radius resulting from two different size dependent effects. Changes in the radial distribution functions characterizing spatial distribution of cations with respect to anions result in a monotonic increase in the coordination number. This yields an increase in the effective interaction energy as a function of cation radius, which can explain the decrease in the diffusion constant. This increase is counteracted at small cation radii by a corresponding increase in decoupling of cation and anion dynamics. In addition, the diffusion constant is found to increase on increasing the static dielectric constant for all radii of the cations. These results highlight the significant role of decoupling in designing polymerized ionic liquids with an enhanced diffusion constant of cations.

Gillespie, Colin [ORNL] (ORCID:0000000320287080)↗
DOE OSTI2020

Stimulation of soil respiration by elevated CO 2 is enhanced under nitrogen limitation in a decade-long grassland study

Whether and how CO 2 and nitrogen (N) availability interact to influence carbon (C) cycling processes such as soil respiration remains a question of considerable uncertainty in projecting future C–climate feedbacks, which are strongly influenced by multiple global change drivers, including elevated atmospheric CO 2 concentrations (eCO 2 ) and increased N deposition. However, because decades of research on the responses of ecosystems to eCO 2 and N enrichment have been done largely independently, their interactive effects on soil respiratory CO 2 efflux remain unresolved. Here, we show that in a multifactor free-air CO 2 enrichment experiment, BioCON (Biodiversity, CO 2 , and N deposition) in Minnesota, the positive response of soil respiration to eCO 2 gradually strengthened at ambient (low) N supply but not enriched (high) N supply for the 12-y experimental period from 1998 to 2009. In contrast to earlier years, eCO 2 stimulated soil respiration twice as much at low than at high N supply from 2006 to 2009. In parallel, microbial C degradation genes were significantly boosted by eCO 2 at low but not high N supply. Further, incorporating those functional genes into a coupled C–N ecosystem model reduced model parameter uncertainty and improved the projections of the effects of different CO 2 and N levels on soil respiration. If our observed results generalize to other ecosystems, they imply widely positive effects of eCO 2 on soil respiration even in infertile systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Comparing Measures of Average Color Fidelity

The introduction of new measures of color rendition, especially IES TM-30-15, has stirred debate within the lighting industry on the relative merits of the tools, as well as the amount of difference between the new tools and prior tools, such as CIE Ra. This article focuses on comparing three measures of average color fidelity: IES Rf, CIE Ra, and CIE Rf. Using a large set of commercially-available, experimental, and theoretical spectral power distributions (SPDs), the analysis contrasts past efforts to make similar comparisons using smaller or more focused datasets. It highlights the interactive effect of gamut shape and color space non-uniformity, which results in a range of IES Rf values of at least to 50 to 86 for SPDs having a CIE Ra value of 80. It also examines how these differences can be overlooked in psychophysical experiments relying on a small number of SPDs, which can present misleading findings on the value and meaning of the measures. When considering the results, it is important to remember that average color fidelity is only one aspect of color rendition.

Royer, Michael P.↗
DOE OSTI2016

Organic-matter decomposition along a temperature gradient in a forested headwater stream

Here, we used a natural temperature gradient in Walker Branch, a spring-fed forested stream in eastern Tennessee, USA, to examine the influence of temperature on organic-matter decomposition. These upstream sites are warmer than downstream sites in winter and are cooler than downstream sites in summer. We used a cotton-strip assay to examine breakdown of a substrate of uniform quality (95% cellulose) along the temperature gradient monthly for 2 y and litter bags to examine the interactive effects of leaf-litter quality (labile red maple [Acer rubrum] and tulip poplar [Liriodendron tulipifera], and less labile white oak [Quercus alba]), invertebrates, and temperature on breakdown rates along the downstream temperature gradient for 90 d in winter. Cotton-strip tensile loss and leaf-litter breakdown rates were highly variable. Tensile-loss rates likely were driven by a combination of daily and diel temperature, discharge, streamwater nutrients that varied seasonally and spatially along the temperature gradient. Leaf litter breakdown rates tended to be faster in warmer upstream sites (red maple = 0.0452/d, tulip poplar = 0.0376/d, white oak = 0.0142/d) and slower in cooler downstream sites (red maple = 0.0312/d, tulip poplar = 0.0236/d, white oak = 0.0107/d), and breakdown rates were positively correlated with total invertebrate density. Furthermore, temperature sensitivity of decomposition was similar among the 3 litter types. These results highlight the high degree of spatial and temporal heterogeneity that can exist for ecosystem processes and their drivers. Quantifying this heterogeneity is important when scaling functional metrics to stream and watershed scales and for understanding how organic-matter processing will respond to the warmer streamwater temperatures expected as a result of global climate change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Comparison of different quantum mechanical methods for inner atomic shell photo-ionization followed by Auger decay

A numerical time-dependent quantum mechanical approach was developed previously for simulating the process of photoionization followed by Auger decay for cases where the photoelectron energy is not very large; the method accurately calculates the interaction between the two active electrons, but simplifies their interaction with the core electrons. More established theoretical methods, which take account of postcollision interaction effects, allow an accurate description of this process when the photoelectron energy is not too low. We demonstrate that using the time-dependent method (although with some simplifications that are needed for its numerical implementation) for low energy photoelectrons and more established methods for higher energy allows accurate calculations for nearly all possible combinations of electron energy. This is confirmed by performing calculations of the photoelectron energy and angular distributions for the 1 s photoionization of Ne, with a subsequent KLL Auger transition. Here, by computing the energy and angular distributions for energies where the two groups of methods should agree and where they should disagree, we demonstrate their consistency and range of accuracy. For the regions where the methods disagree, we discuss the reasons for any discrepancies and the trends in the differences. In addition, some of our calculations are compared with existing experimental data for the same system. The agreement found in the comparison confirms the reliability of the theoretical approaches.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Nucleon–nucleon correlations in the extreme oxygen isotopes

There has been an upsurge of interest in two-nucleon decays thanks to the studies of nucleon–nucleon correlations. In our previous work (2021 Phys. Rev. Lett. 126 142501), based on a novel time-dependent three-body approach, we demonstrated that the energy and angular correlations of the emitted nucleons can shed light on the structure of nucleonic pairs formed inside the nucleus. In this work, we apply the new framework to study the decay dynamics and properties of some extreme proton-rich and neutron-rich oxygen isotopes, including two-proton (2p) decays of 11,12 O and two-neutron (2n) decay of 26 O. Here we show that the low- ℓ components of 11,12 O wave functions, which are affected by continuum and configuration-interaction effects, strongly impact decay dynamics and asymptotic correlations. In the calculated wave functions of 11,12 O, diproton and cigarlike structures merge together during the tunneling process and the resulting energy and angular correlations are very consistent with the experimental data. The asymptotic correlations of the 2n decay of 26 O dramatically change as the 2n decay energy approaches the zero-energy threshold. The small reported value of Q 2n suggests that the 2n decay of this nucleus can be understood in terms of the universal phase-space limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Results from an improved flowing liquid lithium limiter with increased flow uniformity in high power plasmas in EAST

Significant engineering and physic progress was made by the upgrade of a flowing liquid lithium limiter (FLiLi) inserted into EAST H-mode discharges in 2016. The progress includes an improvement of liquid Li coverage uniformity, no macroscopic surface erosion by plasma materials interaction, effective removal of 55% of the discharge heat flux using high pressure He cooling during ohmic discharges, and the demonstrated ability to restart Li flow for a second experiment performed a week after the first. With increasing Li flow rate, fuel particle recycling and Fe impurity radiation gradually decreased, and plasma performance slightly improved, but there was no impact on the edge tungsten influx. No obvious Li bursts appeared during operation with up to about 4.5 MW auxiliary heating power with peak heat flux reaching ~4 MW m –2 on FLiLi. In addition, a gradual mitigation of edge localized mode (ELM) activity was observed with FLiLi operation. Lastly, short-lived ELM-free phases were observed for the first time in EAST during FLiLi insertion, with increasing τ E and transient H 98(y, 2) < 2.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Heat stress on agricultural workers exacerbates crop impacts of climate change

Abstract The direct impacts of climate change on crop yields and human health are individually well-studied, but the interaction between the two have received little attention. Here we analyze the consequences of global warming for agricultural workers and the crops they cultivate using a global economic model (GTAP) with explicit treatment of the physiological impacts of heat stress on humans’ ability to work. Based on two metrics of heat stress and two labor functions, combined with a meta-analysis of crop yields, we provide an analysis of climate, impacts both on agricultural labor force, as well as on staple crop yields, thereby accounting for the interacting effect of climate change on both land and labor. Here we analyze the two sets of impacts on staple crops, while also expanding the labor impacts to highlight the potential importance on non-staple crops. We find, worldwide, labor and yield impacts within staple grains are equally important at +3 ∘ C warming, relative to the 1986–2005 baseline. Furthermore, the widely overlooked labor impacts are dominant in two of the most vulnerable regions: sub-Saharan Africa and Southeast Asia. In those regions, heat stress with 3 ∘ C global warming could reduce labor capacity in agriculture by 30%–50%, increasing food prices and requiring much higher levels of employment in the farm sector. The global welfare loss at this level of warming could reach $136 billion, with crop prices rising by 5%, relative to baseline.

de Lima, Cicero Z. (ORCID:0000000297005435)↗