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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Anisotropic flow of identified particles in Pb-Pb collisions at $ {\sqrt{s}}_{\mathrm{NN}}=5.02 $ TeV

The elliptic (v 2 ), triangular (v 3 ), and quadrangular (v 4 ) flow coefficients of π ± , K ± , p+$ \overline{p}\ $,Λ+$ \overline{Λ}\ $,K S 0 , and the Φ-meson are measured in Pb-Pb collisions at $ {\sqrt{s}}_{\mathrm{NN}}=5.02 $ TeV. Results obtained with the scalar product method are reported for the rapidity range |y| < 0.5 as a function of transverse momentum, p T , at different collision centrality intervals between 0–70%, including ultra-central (0–1%) collisions for π ± , K ± , and p + $ \overline{p}\ $. For p T < 3 GeV/c, the flow coefficients exhibit a particle mass dependence. At intermediate transverse momenta (3 < p T < 8–10 GeV/c), particles show an approximate grouping according to their type (i.e., mesons and baryons). The Φ-meson v 2 , which tests both particle mass dependence and type scaling, follows p + $ \overline{p}\ $ v 2 at low p T and π ± v 2 at intermediate p T . The evolution of the shape of v n (p T ) as a function of centrality and harmonic number n is studied for the various particle species. Flow coefficients of π ± , K ± , and p + $ \overline{p}\ $ for p T < 3 GeV/c are compared to iEBE-VISHNU and MUSIC hydrodynamical calculations coupled to a hadronic cascade model (UrQMD). The iEBE-VISHNU calculations describe the results fairly well for p T < 2.5 GeV/c, while MUSIC calculations reproduce the measurements for p T < 1 GeV/c. A comparison to v n coefficients measured in Pb-Pb collisions at $ {\sqrt{s}}_{\mathrm{NN}}=2.76 $ TeV is also provided. [Figure not available: see fulltext.].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Multi-Physics Simulation of The TRIGA Reactor

In nuclear engineering, the description of phenomena occurring in the core involves a coupling between neutronic and thermal hydraulics through the so called reactivity or thermal feedback. In water cooled reactor, thermal feedback and temperature coefficients of reactivity are important, when temperature changes, microscopic cross sections change as well impacting directly the neutron flux and so the thermal power. Other feedback, such as the variation of the macroscopic cross section due to a modification of the density can also have a significant impact on the core performance of the reactor. Those reasons were naturally leading in the development of coupling method in order to predict correctly the behaviour of the core in normal operation and accidental situation. This work describes the coupling scheme developed for the description of the TRIGA mark II reactor at JSI. The demonstration case presented here, the reactor is operating in steady state configuration at several power levels. The aim of our calculation was, for a given thermal power of the reactor, to numerically reproduce fuel temperature value monitored during reactor operation. The expected impact of the control rod on the neutron flux distribution was also verified. The predictions of the coupling scheme seem to be correct according to the few temperature measurements available and the expected neutron flux behaviour expecting from a control rod motion. We are considering precise measurement of the fuel temperature at more positions but also in the coolant channels between the fuel elements to complete the experimental validation phase. An upgrade of the coupling scheme into the transient mode is also considered to observe self-stabilisation of the power level, after a control rod perturbation, due to the negative temperature reactivity coefficient of the fuel. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Dijet Acoplanarity in CUJET3 as a Probe of the Nonperturbative Color Structure of QCD Perfect Fluids

Using the CUJET3=DGLV+VISHNU jet-medium interaction framework, we show that dijet azimuthal acoplanarity in high energy A + A collisions is sensitive to possible non-perturbative enhancement of the jet transport coefficient, $\hat{q}$(T,E), in the QCD crossover temperature T ~ 150–300 MeV range. With jet-medium couplings constrained by global RHIC& LHC χ 2 fits to nuclear modification data on R AA (p T > 20) GeV, we compare predictions of the medium induced dijet transverse momentum squared, $Q_s^2~\langle \hat{q}L\rangle~ΔΦ^2E^2$, in two models of the temperature, T, and jet energy E dependence of the jet medium transport coefficient, $\hat{q}$(T,E)). In one model, wQGP, the chromo degrees of freedom (dof) are approximated by a perturbative dielectric gas of quark and gluons dof. In the second model, sQGMP, we consider a nonperturbative partially confined semi-Quark-Gluon-Monopole-Plasma with emergent color magnetic dof constrained by lattice QCD data. Unlike the slow variation of the scaled jet transport coefficient, $\hat{q}_{wQGP}/T^3$, the sQGMP model $\hat{q}_{sQGMP}/T^3$ features a sharp maximum in the QCD confinement crossover T range. We show that the dijet path averaged medium induced azimuthal acoplanarity, Δφ 2 , in sQGMP is robustly ~ 2 times larger than in perturbative wQGP. even though the radiative energy loss in both models is very similar as needed to fit the same R AA data. Future A+A dijet acoplanarity measurements constrained together with single jet R AA and ν n measurements therefore appears to be a promising strategy to search for possible signatures of critical opalescence like phenomena in the QCD confinement temperature range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Theoretical calculations of rotationally inelastic collisions of He with NaK(A {sup 1}Σ{sup +}): Transfer of population, orientation, and alignment

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A{sup 1}Σ{sup +}) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B{sub λ}(j, j′) for each j → j′ transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j or j′ between 0 and 50, and total (translational and rotational) energies in the range 0.0002–0.0025 a.u. (∼44–550 cm{sup −1}). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j′. Finally, we compare the exact quantum results for j → j′ transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Flexosensitive polarization vortices in thin ferroelectric films

In this work, we present a theoretical study on the influence of the flexoelectric coupling on the spatial distribution and temperature behavior of the spontaneous polarization for several types of stable domain structure in thin ferroelectric films, such as stripe domains and vortices. Finite-element modeling (FEM) for BaTiO 3 films and analytical calculations within the Landau-Ginzburg-Devonshire approach reveals that an out-of-plane polarization component can be very sensitive to the flexoelectric coupling for periodic quasi-2D stripe domains and 3D vortex-antivortex structures. However, the influence is rather different for these structures. The flexoelectric coupling increases significantly the amplitude of a small out-of-plane polarization component in the stripe domains, and the “up” or “down” direction of the component is defined by the sign of the flexoelectric coefficients. Concerning the vortex-antivortex pairs, their antivortices with in-plane antiсirculation have smooth wide dipolar cores through the entire film, whose shape and other features are almost insensitive to the coupling. The vortices with in-plane vorticity have spikelike cores with an out-of-plane quadrupolar moment induced by the flexoelectric coupling. The cores are located near the film–dead-layer interfaces. FEM results corroborated by analytical calculations prove that a change of the flexoelectric coefficient sign leads to a reorientation of the core axial polarization, making the flexosensitive 3D vortices similar to the recently introduced “flexons” in cylindrical nanoparticles. The relatively wide temperature range (from 200 to 400 K) of the flexosensitive vortices' existence gives us confidence that they can be observed experimentally in thin ferroelectric films by scanning-probe and nonlinear optical microscopy methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Soft-spring wall based non-periodic boundary conditions for non-equilibrium molecular dynamics of dense fluids

Non-equilibrium molecular dynamics (MD) simulations require imposition of non-periodic boundary conditions (NPBCs) that seamlessly account for the effect of the truncated bulk region on the simulated MD region. Standard implementation of specular boundary conditions in such simulations results in spurious density and force fluctuations near the domain boundary and is therefore inappropriate for coupled atomistic-continuum calculations. In this work, we present a novel NPBC model that relies on boundary atoms attached to a simple cubic lattice with soft springs to account for interactions from particles which would have been present in an untruncated full domain treatment. We show that the proposed model suppresses the unphysical fluctuations in the density to less than 1% of the mean while simultaneously eliminating spurious oscillations in both mean and boundary forces. The model allows for an effective coupling of atomistic and continuum solvers as demonstrated through multiscale simulation of boundary driven singular flow in a cavity. The geometric flexibility of the model enables straightforward extension to nonplanar complex domains without any adverse effects on dynamic properties such as the diffusion coefficient.

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

Observation of W + W – γ production in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector and constraints on anomalous quartic gauge-boson couplings

This Letter reports the observation of W + W – γ triboson production in 140 fb –1 of data collected by the ATLAS detector from proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV at the LHC. Events with an opposite-charge eμ pair, a high transverse-momentum photon, and significant missing transverse momentum are considered. The observed (expected) significance of the signal is 5.9 (6.0) standard deviations. The measured fiducial cross-section, defined for the W + W – γ → e ± μ ∓ $ν\bar{ν}$γ final state is 6.2 ± 0.8 (stat.) ± 0.6 (sys.) fb, in good agreement with the Standard Model prediction of 6.1$^{+1.0}_{–0.7}$ fb. Constraints on the Wilson coefficients of 13 dimension-8 operators describing physics beyond the Standard Model through anomalous quartic gauge-boson couplings are derived using the effective field theory framework.

Anomalous quartic gauge couplings↗
DOE OSTI2017

Mixing with applications to inertial-confinement-fusion implosions

Approximate one-dimensional (1D) as well as 2D and 3D simulations are playing an important supporting role in the design and analysis of future experiments at National Ignition Facility. This work is mainly concerned with 1D simulations, used extensively in design and optimization. We couple a 1D buoyancy-drag mix model for the mixing zone edges with a 1D inertial confinement fusion simulation code. This analysis predicts that National Ignition Campaign (NIC) designs are located close to a performance cliff, so modeling errors, design features (fill tube and tent) and additional, unmodeled instabilities could lead to significant levels of mix. The performance cliff we identify is associated with multimode plastic ablator (CH) mix into the hot-spot deuterium and tritium (DT). The buoyancy-drag mix model is mode number independent and selects implicitly a range of maximum growth modes. Our main conclusion is that single effect instabilities are predicted not to lead to hot-spot mix, while combined mode mixing effects are predicted to affect hot-spot thermodynamics and possibly hot-spot mix. Combined with the stagnation Rayleigh-Taylor instability, we find the potential for mix effects in combination with the ice-to-gas DT boundary, numerical effects of Eulerian species CH concentration diffusion, and ablation-driven instabilities. With the help of a convenient package of plasma transport parameters developed here, we give an approximate determination of these quantities in the regime relevant to the NIC experiments, while ruling out a variety of mix possibilities. Plasma transport parameters affect the 1D buoyancy-drag mix model primarily through its phenomenological drag coefficient as well as the 1D hydro model to which the buoyancy-drag equation is coupled.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Integrable coupled Liénard-type systems with balanced loss and gain

A Hamiltonian formulation of generic many-particle systems with space-dependent balanced loss and gain coefficients is presented. It is shown that the balancing of loss and gain necessarily occurs in a pair-wise fashion. Further, using a suitable choice of co-ordinates, the Hamiltonian can always be reformulated as a many-particle system in the background of a pseudo-Euclidean metric and subjected to an analogous inhomogeneous magnetic field with a functional form that is identical with space-dependent loss/gain co-efficient. The resulting equations of motion from the Hamiltonian are a system of coupled Liénard-type differential equations. Partially integrable systems are obtained for two distinct cases, namely, systems with (i) translational symmetry or (ii) rotational invariance in a pseudo-Euclidean space. A total number of m+1 integrals of motion are constructed for a system of 2m particles, which are in involution, implying that two-particle systems are completely integrable. A few exact solutions for both the cases are presented for specific choices of the potential and space-dependent gain/loss co-efficients, which include periodic stable solutions. Quantization of the system is discussed with the construction of the integrals of motion for specific choices of the potential and gain–loss coefficients. A few quasi-exactly solvable models admitting bound states in appropriate Stoke wedges are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance

We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function of pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Coexistence of Low Damping and Strong Magnetoelastic Coupling in Epitaxial Spinel Ferrite Thin Films

Low‐loss magnetization dynamics and strong magnetoelastic coupling are generally mutually exclusive properties due to opposing dependencies on spin–orbit interactions. So far, the lack of low‐damping, magnetostrictive ferrite films has hindered the development of power‐efficient magnetoelectric and acoustic spintronic devices. Here, magnetically soft epitaxial spinel NiZnAl‐ferrite thin films with an unusually low Gilbert damping parameter (<3 × 10 −3 ), as well as strong magnetoelastic coupling evidenced by a giant strain‐induced anisotropy field (≈1 T) and a sizable magnetostriction coefficient (≈10 ppm), are reported. This exceptional combination of low intrinsic damping and substantial magnetostriction arises from the cation chemistry of NiZnAl‐ferrite. At the same time, the coherently strained film structure suppresses extrinsic damping, enables soft magnetic behavior, and generates large easy‐plane magnetoelastic anisotropy. These findings provide a foundation for a new class of low‐loss, magnetoelastic thin film materials that are promising for spin‐mechanical devices.

Emori, Satoru↗
DOE OSTI2024

A reduced-order model for nonlinear radiative transfer problems based on moment equations and POD-Petrov-Galerkin projection of the normalized Boltzmann transport equation

A data-driven projection-based reduced-order model (ROM) for nonlinear thermal radiative transfer (TRT) problems is presented. The TRT ROM is formulated by (i) a hierarchy of low-order quasidiffusion (aka variable Eddington factor) equations for moments of the radiation intensity and (ii) the normalized Boltzmann transport equation (BTE). The multilevel system of moment equations is derived by projection of the BTE onto a sequence of subspaces which represent elements of the phase space of the problem. Exact closure for the moment equations is provided by the Eddington tensor. A Petrov-Galerkin (PG) projection of the normalized BTE is formulated using a proper orthogonal decomposition (POD) basis representing the normalized radiation intensity over the whole phase space and time. The Eddington tensor linearly depends on the solution of the normalized BTE. By linear superposition of the POD basis functions, a low-rank expansion of the Eddington tensor is constructed with coefficients defined by the PG projected normalized BTE. The material energy balance (MEB) equation is coupled with the effective gray low-order equations which exist on the same dimensional scale as the MEB equation. The resulting TRT ROM is structure and asymptotic preserving. A detailed analysis of the ROM is performed on the classical Fleck-Cummings (F-C) TRT multigroup test problem in 2D geometry. Numerical results are presented to demonstrate the ROM's effectiveness in the simulation of radiation wave phenomena. Importantly, the ROM is shown to produce solutions with sufficiently high accuracy while using low-rank approximation of the normalized BTE solution. Essential physical characteristics of supersonic radiation wave are preserved in the ROM solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A framework for data-driven solution and parameter estimation of PDEs using conditional generative adversarial networks

We employ and adapt the image-to-image translation concept based on conditional generative adversarial networks (cGAN) for learning a forward and an inverse solution operator of partial differential equations (PDEs). We focus on steady-state solutions of coupled hydromechanical processes in heterogeneous porous media and present the parameterization of the spatially heterogeneous coefficients, which is exceedingly difficult using standard reduced-order modeling techniques. We show that our framework provides a speed-up of at least 2,000 times compared to a finite-element solver and achieves a relative root-mean-square error (r.m.s.e.) of less than 2% for forward modeling. For inverse modeling, the framework estimates the heterogeneous coefficients, given an input of pressure and/or displacement fields, with a relative r.m.s.e. of less than 7%, even for cases where the input data are incomplete and contaminated by noise. The framework also provides a speed-up of 120,000 times compared to a Gaussian prior-based inverse modeling approach while also delivering more accurate results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Oxidation of a model alkane aerosol by OH radical: the emergent nature of reactive uptake

An accurate description of the evolution of organic aerosol in the Earth’s atmosphere is essential for climate models. However, the complexity of multiphase chemical and physical transformations has been challenging to describe at the level required to predict aerosol lifetimes and changes in chemical composition. In this work a model is presented that reproduces experimental data for the early stages of oxidative aging of squalane aerosol by hydroxyl radical (OH), a process governed by reactive uptake of gas phase species onto the particle surface. Simulations coupling free radical reactions and Fickian diffusion are used to elucidate how the measured uptake coefficient reflects the elementary steps of sticking of OH to the aerosol as a result of a gas-surface collision, followed by very rapid abstraction of hydrogen and subsequent free radical reactions. It is found that the uptake coefficient is not equivalent to a sticking coefficient or an accommodation coefficient: it is an intrinsically emergent process that depends upon particle size, viscosity, and OH concentration. An expression is derived to examine how these factors control reactive uptake over a broad range of atmospheric and laboratory conditions, and is shown to be consistent with simulation results. Well-mixed, liquid behavior is found to depend on the reaction conditions in addition to the nature of the organic species in the aerosol particle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ab initio pressure-dependent reaction kinetics of methyl propanoate radicals

The unimolecular dissociation and isomerization kinetics of the three methyl propanoate (MP) radicals, CH 3 CH 2 C(=O)O$\dot{C}$H 2 (MP-m), CH 3 $\dot{C}$HC(=O)OCH 3 (MP-α), and $\dot{C}$H 2 CH 2 C(=O)OCH 3 (MP-β), are theoretically investigated using high-level ab initio methods and the Rice–Ramsperger–Kassel–Marcus (RRKM)/master equation (ME) theory. Stationary-point energies are obtained using the coupled cluster singles and doubles with perturbative triples correction (CCSD(T)), multi-reference singles and doubles configuration interaction (MRSDCI) with the Davidson-Silver (DS) correction, and multi-reference averaged coupled pair functional (MRACPF2) theories. The isomerization barriers between the three radicals are predicted to be generally lower than the corresponding bond dissociation channels, leading to a strongly coupled reaction system in subsequent kinetics studies. The phenomenological temperature- and pressure-dependent rate coefficients are computed using the RRKM/ME theory over a temperature range of 500 to 2000 K and at a pressure range of 0.01 atm to the high-pressure limit, which are then fitted to modified Arrhenius expressions. The β-scission rate coefficients of MP-α to CH 3 CHC(=O) and CH 3 $\dot{O}$ are predicted to be the smallest because of its highest activation energy among all studied unimolecular reactions channels. Analysis of branching fractions shows that both MP-m and MP-α radicals mainly decompose to the bimolecular products CH 3 CH 2 $\dot{C}$(=O) and H 2 CO, whereas the MP-β radical primarily decomposes via cleavage of a C–C bond to form C 2 H 4 and CH 3 O$\dot{C}$(=O). The isomerization channels dominate at low temperatures, the branching fractions of which decrease with increasing temperature and become very minor at about 2000 K. Our accurate rate coefficients and branching fractions help to illuminate the unique combustion properties of MP.

09 BIOMASS FUELS↗
DOE OSTI2014

Signature candidate of quantum chaos far from the semiclassical regime

We numerically investigated the entanglement product in the simplest coupled kicked top model with the spin j = 1. Different from the dynamical pattern of entanglement in the semiclassical regime, two similar initial states may have discordant entanglement oscillations. A candidate of the quantum signature of this classical chaotic system was proposed. The potential antimonotonic relation between the rank correlation coefficient qualifying the concordant of two entanglement evolutions and the stationary entanglement was preliminarily revealed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Spin precession by pulsed inductive magnetometry in thin amorphous plates

Broadband magnetic loss and damping behavior of Co-based amorphous ribbons and thin films have been investigated. The permeability and loss response of the transverse anisotropy ribbon samples in the frequency range DC to 1 GHz is interpreted in terms of combined and distinguishable contributions to the magnetization process by domain wall displacements and magnetization rotations. The latter alone are shown to survive at the highest frequencies, where the losses are calculated via coupled Maxwell and Landau–Lifshitz–Gilbert (LLG) equations. Remarkably high values of the LLG damping coefficient α = 0.1–0.2 are invoked in this theoretical prediction. Direct measurements of α by pulsed inductive microwave magnetometry are thus performed, both in these laminae and in amorphous films of identical composition, obtaining about one order of magnitude increase of the α value upon the 100 nm÷10 μm thickness range. This confirms that dissipation by eddy currents enters the LLG equation via large increase of the damping coefficient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗