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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial (R-Z) or plane radial-circumferential (R-θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used in this paper to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. Finally, in comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Electron heating during magnetic reconnection: A simulation scaling study

Electron bulk heating during magnetic reconnection with symmetric inflow conditions is examined using kinetic particle-in-cell simulations. Inflowing plasma parameters are varied over a wide range of conditions, and the increase in electron temperature is measured in the exhaust well downstream of the x-line. The degree of electron heating is well correlated with the inflowing Alfvén speed c{sub Ar} based on the reconnecting magnetic field through the relation ΔT{sub e}=0.033 m{sub i} c{sub Ar}{sup 2}, where ΔT{sub e} is the increase in electron temperature. For the range of simulations performed, the heating shows almost no correlation with inflow total temperature T{sub tot}=T{sub i}+T{sub e} or plasma β. An out-of-plane (guide) magnetic field of similar magnitude to the reconnecting field does not affect the total heating, but it does quench perpendicular heating, with almost all heating being in the parallel direction. These results are qualitatively consistent with a recent statistical survey of electron heating in the dayside magnetopause (Phan et al., Geophys. Res. Lett. 40, 4475, 2013), which also found that ΔT{sub e} was proportional to the inflowing Alfvén speed. The net electron heating varies very little with distance downstream of the x-line. The simulations show at most a very weak dependence of electron heating on the ion to electron mass ratio. In the antiparallel reconnection case, the largely parallel heating is eventually isotropized downstream due a scattering mechanism, such as stochastic particle motion or instabilities. The simulation size is large enough to be directly relevant to reconnection in the Earth's magnetosphere, and the present findings may prove to be universal in nature with applications to the solar wind, the solar corona, and other astrophysical plasmas. The study highlights key properties that must be satisfied by an electron heating mechanism: (1) preferential heating in the parallel direction; (2) heating proportional to m{sub i} c{sub Ar}{sup 2}; (3) at most a weak dependence on electron mass; and (4) an exhaust electron temperature that varies little with distance from the x-line.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

P11530-E005-PF: Magnetization measurements on single crystals β-TeVO 4

β-TeVO 4 crystallizes in the monoclinic space group P2 1 /c. The spin structure is an arrangement of V zigzag double chains that run parallel to the c-axis and are formed by slightly distorted VO 5 pyramids. Microscopic analysis identifies frustrated J1-J2 spin chains with sizable coupling in the bc plane and no frustrations. Magnetic susceptibility vs temperature experiments reveal a Curie-Weiss behavior with AFM correlations (θ ≈ -11 K) and a pronounced maximum at 14 K. A small anisotropy is observed between H ll b and H ll a,c, with b being the magnetic easy axis. Three anomalies are observed at 2.26 K, 3.28 K and 4.65 K in the magnetic susceptibility, however, the magnetic order corresponding to these transitions is currently unknown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Electron Distributions in Kinetic Scale Field Line Resonances: A Comparison of Simulations and Observations

Observations in kinetic scale field line resonances, or eigenmodes of the geomagnetic field, reveal highly field-aligned plateaued electron distributions. By combining observations from the Van Allen Probes and Cluster spacecraft with a hybrid kinetic gyrofluid simulation we show how these distributions arise from the nonlocal self-consistent interaction of electrons with the wavefield. This interaction is manifested as electron trapping in the standing wave potential. The process operates along most of the field line and qualitatively accounts for electron observations near the equatorial plane and at higher latitudes. In conjunction with the highly field-aligned plateaus, loss cone features are also evident, which result from the action of the upward-directed wave parallel electric field on the untrapped electron populations.

42 ENGINEERING↗
DOE OSTI2022

Three-dimensional inhomogeneity of electron-temperature-gradient turbulence in the edge of tokamak plasmas

Nonlinear multiscale gyrokinetic simulations of a Joint European Torus edge pedestal are used to show that electron-temperature-gradient (ETG) turbulence has a rich three-dimensional structure, varying strongly according to the local magnetic-field configuration. In the plane normal to the magnetic field, the steep pedestal electron temperature gradient gives rise to anisotropic turbulence with a radial (normal) wavelength much shorter than in the binormal direction. In the parallel direction, the location and parallel extent of the turbulence are determined by the variation in the magnetic drifts and finite-Larmor-radius (FLR) effects. The magnetic drift and FLR topographies have a perpendicular-wavelength dependence, which permits turbulence intensity maxima near the flux-surface top and bottom at longer binormal scales, but constrains turbulence to the outboard midplane at shorter electron-gyroradius binormal scales. Here our simulations show that long-wavelength ETG turbulence does not transport heat efficiently, and significantly decreases overall ETG transport—in our case by ~40%—through multiscale interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Directionally asymmetric nonlinear optics in ferrorotational MnTiO 3

Ferrorotationally ordered materials possess a planar chiral lattice of electric dipoles that are a promising platform for exhibiting directionally asymmetric response functions. A key characteristic of such order is that enantiomorph conversion occurs when the solid is flipped by 180° about an in-plane axis. Using second-harmonic interferometry, we show here that when circularly polarized light is incident on MnTiO 3 , the generated harmonic intensity depends on whether the incident light is parallel or antiparallel to the ferrorotational axis. For a particular photon helicity, constructive interference occurs in one direction while destructive interference occurs in the other. Here, our observations represent a fundamentally new optical effect, associated with circularly polarized light in ferrorotational solids, that is distinct from conventional optical activity observed in three-dimensional chiral and Faraday media.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design

Layered perovskites with the formula (R–NH 3 ) 2 PbI 4 have excellent environmental stability but poor photovoltaic function due to the preferential orientation of the semiconducting layer parallel to the substrate and the typically insulating nature of the R–NH 3 + cation. Here, we report a series of these n = 1 layered perovskites with the form (aromatic-O-linker-NH 3 ) 2 PbI 4 where the aromatic moiety is naphthalene, pyrene, or perylene and the linker is ethyl, propyl, or butyl. These materials achieve enhanced conductivity perpendicular to the inorganic layers due to better energy level matching between the inorganic layers and organic galleries. The enhanced conductivity and visible absorption of these materials led to a champion power conversion efficiency of 1.38%, which is the highest value reported for any n = 1 layered perovskite, and it is an order of magnitude higher efficiency than any other n = 1 layered perovskite oriented with layers parallel to the substrate. Furthermore, these findings demonstrate the importance of leveraging the electronic character of the organic cation to improve optoelectronic properties and thus the photovoltaic performance of these chemically stable low n layered perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High-stroke silicon-on-insulator MEMS nanopositioner: Control design for non-raster scan atomic force microscopy

A 2-degree of freedom microelectromechanical systems nanopositioner designed for on-chip atomic force microscopy (AFM) is presented. The device is fabricated using a silicon-on-insulator-based process and is designed as a parallel kinematic mechanism. It contains a central scan table and two sets of electrostatic comb actuators along each orthogonal axis, which provides displacement ranges greater than ±10 μm. The first in-plane resonance modes are located at 1274 Hz and 1286 Hz for the X and Y axes, respectively. To measure lateral displacements of the stage, electrothermal position sensors are incorporated in the design. To facilitate high-speed scans, the highly resonant dynamics of the system are controlled using damping loops in conjunction with internal model controllers that enable accurate tracking of fast sinusoidal set-points. To cancel the effect of sensor drift on controlled displacements, washout controllers are used in the damping loops. The feedback controlled nanopositioner is successfully used to perform several AFM scans in contact mode via a Lissajous scan method with a large scan area of 20 μm × 20 μm. The maximum scan rate demonstrated is 1 kHz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Study of magnetic reconnection at low- β using laser-powered capacitor coils

Magnetic reconnection is a ubiquitous fundamental process in space and astrophysical plasmas that rapidly converts magnetic energy into some combination of flow energy, thermal energy, and non-thermal energetic particles. Over the past decade, a new experimental platform has been developed to study magnetic reconnection using strong coil currents powered by high-power lasers at low plasma beta, typical conditions under which reconnection is energetically important in space and astrophysics. KJ-class lasers were used to drive parallel currents to reconnect MG-level magnetic fields in a quasi-axisymmetric geometry, similar to the magnetic reconnection experiment or MRX, and thus this platform is named micro-MRX. This presentation summarizes two major findings from micro-MRX: direct measurement of accelerated electrons and observation of ion acoustic waves during anti-parallel reconnection. The angular dependence of the measured electron energy spectrum and the resulting accelerated energies, supported by particle-in-cell simulations, indicate that direct acceleration by the out-of-plane reconnection electric field is at work. Furthermore, a sudden onset of ion acoustic bursts has been measured by collective Thomson scattering in the exhaust of magnetic reconnection, followed by electron acoustic bursts with electron heating and bulk acceleration. These results demonstrate that the micro-MRX platform offers a novel and unique approach to study magnetic reconnection in the laboratory in addition to the capabilities provided by traditional magnetized plasma experiments such as MRX and the upcoming Facility for Laboratory Reconnection experiments (FLARE). Future prospects to study other particle acceleration mechanisms and ion acoustic waves from magnetic reconnection are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Magnetic order of tetragonal CuO ultrathin films

Here, we present a detailed low-energy muon spin rotation and x-ray magnetic circular dichroism (XMCD) investigation of the magnetic structure in ultrathin tetragonal (T)-CuO films. The measured muon-spin polarization decay indicates an antiferromagnetic (AFM) order with a transition temperature higher than 200 K. The XMCD signal obtained around the CuL 2,3 edges indicates the presence of pinned Cu 2+ moments that are parallel to the sample surface, and additionally, isotropic paramagnetic moments. The pinning of some of the Cu moments is caused by an AFM ordering consisting of moments that lie most likely in plane of the film. Moreover, pinned moments show a larger orbital magnetic moment contribution with an approximate ratio of m orb /m spin =1.5, indicating that these spins are located at sites with reduced symmetry. Some fractions of the pinned moments remain pinned from an AFM background even at 360 K, indicating that T N >360K. We propose a simple model that explains these experimental findings, showing that the magnetic order of the T-CuO ultrathin films differs from the theoretical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Resonances in the Field-Angle-Resolved Thermal Conductivity of CeCoIn 5

Here, the thermal conductivity measurement in a rotating magnetic field is a powerful probe of the structure of the superconducting energy gap. We present high-precision measurements of the low-temperature thermal conductivity in the unconventional heavy-fermion superconductor CeCoIn 5 , with the heat current J along the nodal [110] direction of its d x 2 –y 2 order parameter and the magnetic field up to 7 T rotating in the ab plane. In contrast to the smooth oscillations found previously for J∥[100], we observe a sharp resonancelike peak in the thermal conductivity when the magnetic field is also in the [110] direction, parallel to the heat current. We explain this peak qualitatively via a model of the heat transport in a d-wave superconductor. In addition, we observe two smaller but also very sharp peaks in the thermal conductivity for the field directions at angles Θ≈±33° with respect to J. The origin of the observed resonances at Θ≈±33° at present defies theoretical explanation. The challenge of uncovering their source will dictate exploring theoretically more complex models, which might include, e.g., fine details of the Fermi surface, Andreev bound vortex core states, a secondary superconducting order parameter, and the existence of gaps in spin and charge excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of anisotropy with saturation and its implications for the elastoplastic responses of clay rocks

Many clay rocks have distinct bedding planes. Experimental studies have shown that their mechanical properties evolve with the degree of saturation (DOS), often with higher stiffness and strength after drying. For transversely isotropic rocks, the effects of saturation can differ between the bed-normal (BN) and bed-parallel (BP) directions, which gives rise to saturation-dependent stiffness and strength anisotropy. Accurate prediction of the mechanical behavior of clay rocks under partially saturated conditions requires numerical models that can capture the evolving elastic and plastic anisotropy with DOS. In this study, we present an anisotropy framework for coupled solid deformation-fluid flow in unsaturated elastoplastic media. Here we incorporate saturation-dependent strength anisotropy into an anisotropic modified Cam-Clay (MCC) model and consider the evolving anisotropy in both the elastic and plastic responses. The model was calibrated using experimental data from triaxial tests to demonstrate its capability in capturing strength anisotropy at various levels of saturation. Through numerical simulations, we demonstrate the role of evolving stiffness and strength anisotropy in the mechanical behavior of clay rocks. Plane strain simulations of triaxial compression tests were also conducted to demonstrate the impacts of material anisotropy and DOS on the mechanical and fluid flow responses.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Understanding misfit strain releasing mechanisms via molecular dynamics simulations of CdTe growth on {112}zinc-blende CdS

Molecular dynamics simulations have been used to analyse microstructures of CdTe films grown on {112} surfaces of zinc-blende CdS. Interestingly, CdTe films grow in <331> orientations as opposed to <112> epitaxial orientations. At the CdTe-{331}/CdS-{112} interface, however, there exists an axis that is parallel to the <110> orientation of both CdS and CdTe. It is the direction orthogonal to this <110> that becomes different, being <116> for CdTe and <111> for CdS, respectively. Missing CdTe-{110} planes are found along the <110> axis, suggesting that the misfit strain is released by the conventional misfit dislocation mechanism along this axis. In the orthogonal axis, the misfit strain is found to be more effectively released by the new grain orientation mechanism. Our finding is supported by literature experimental observations of the change of growth direction when Cd 0.96 Zn 0.04 Te films are deposited on GaAs. Lastly the analyses of energetics clearly demonstrate the cause for the formation of the new orientation, and the insights gained from our studies can help understand the grain structures experimentally observed in lattice mismatched systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Particle-in-cell simulations of magnetically driven reconnection using laser-powered capacitor coils

In this study, we propose an experimental scheme to fulfill magnetically driven reconnections. Here, two laser beams are focused on a capacitor-coil target and then strong currents are wired in two parallel circular coils. Magnetic reconnection occurs between the two magnetic bubbles created by the currents in the two parallel circular coils. A two-dimensional particle-in-cell simulation model in the cylindrical coordinate is used to investigate such a process, and the simulations are performed in the ( r , z ) plane. The results show that with the increase of the currents in the two coils, the associated magnetic bubbles expand and a current sheet is formed between the two bubbles. Magnetic reconnection occurs when the current sheet is sufficiently thin. A quadrupole structure of the magnetic field in the θ direction ( B θ ) is generated in the diffusion region and a strong electron current along the r direction ( J e r ) is also formed due to the existence of the high-speed electron flow away from the X line in the center of the outflow region. Finally, because the X line is a circle along the θ direction, the convergence of the plasma flow around r = 0 will lead to the asymmetry of J e r and B θ between the two outflow regions of magnetic reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Anisotropic index of refraction and structural properties of hexagonal boron nitride epilayers probed by spectroscopic ellipsometry

The anisotropic index of refraction of 200 μm thick boron-10 enriched hexagonal boron nitride (h-BN) freestanding epilayers grown by metalorganic chemical vapor deposition has been measured using spectroscopic ellipsometry in the UV (4.0–5.1 eV) spectral range. It was found that the index of refraction for the polarization mode with an electric field perpendicular to the c-axis (ordinary, n o ) is much higher than that with an electric field parallel to the c-axis (extraordinary, n e ). By inclusion of turbostratic- (t-) phase layers within h-BN having an average inclination angle (θ) with respect to the ideal c-plane, a simple method for quantifying θ has been deduced. Our results revealed that the presence of t-phase layers decreases the optical anisotropy of h-BN and that a signature of improved crystalline quality is an increase in the ordinary index of refraction (n o ) as a result of the average incline angle θ approaching 0° and predicted that n o = 2.7 and n e = 1.5 at 280 nm for single crystalline h-BN epilayers. More importantly, our results demonstrated that spectroscopic ellipsometry is an effective technique for characterizing the crystalline quality of h-BN epilayers with the advantages of being noninvasive and highly sensitive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Antiferromagnetic spin correlations and pseudogaplike behavior in Ca(Fe 1-x Co x ) 2 As 2 studied by 75 As nuclear magnetic resonance and anisotropic resistivity

We report 75 As nuclear magnetic resonance (NMR) measurements of single-crystalline Ca(Fe 1–x Co x ) 2 As 2 (x=0.023, 0.028, 0.033, and 0.059) annealed at 350°C for 7 days. From the observation of a characteristic shape of 75 As NMR spectra in the stripe-type antiferromagnetic (AFM) state, as in the case of x=0 (T N =170 K), clear evidence for the commensurate AFM phase transition with the concomitant structural phase transition is observed in x=0.023 (T N =106 K) and x=0.028 (T N =53 K). Through the temperature dependence of the Knight shifts and the nuclear spin lattice relaxation rates (1/T 1 ), although stripe-type AFM spin fluctuations are realized in the paramagnetic state as in the case of other iron pnictide superconductors, we found a gradual decrease of the AFM spin fluctuations below a crossover temperature T* that was nearly independent of Co-substitution concentration, and it is attributed to a pseudogaplike behavior in the spin excitation spectra of these systems. The T* feature finds correlation with features in the temperature-dependent interplane resistivity, ρ c (T), but not with the in-plane resistivity ρ a (T). The temperature evolution of anisotropic stripe-type AFM spin fluctuations is tracked in the paramagnetic and pseudogap phases by the 1/T 1 data measured under magnetic fields parallel and perpendicular to the c axis. As a result, based on our NMR data, we have added a pseudogaplike phase to the magnetic and electronic phase diagram of Ca(Fe 1–x Co x ) 2 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Anisotropic Heating and Parallel Heat Flux in Electron-only Magnetic Reconnection with Intense Guide Fields

Electron-only reconnection (E-REC) is a process recently observed in the Earth’s magnetosheath, where magnetic reconnection occurs at electron kinetic scales, and ions do not couple to the reconnection process. Electron-only reconnection is likely to have a significant impact on the energy conversion and dissipation of turbulence cascades at kinetic scales in some settings. This paper investigates E-REC under different intensities of strong guide fields (the ratio between the guide field and the in-plane asymptotic field strength is 5, 10 and 20, respectively) via two-dimensional fully kinetic particle-in-cell simulations, focusing on electron heating. The simulations are initialized with a force-free current sheet equilibrium under various intensities of strong guide fields. Similarly to previous experimental studies, electron temperature anisotropy along separatrices is observed, which is found to be mainly caused by the variations of parallel temperature. Both regions of anisotropy and parallel temperature increase/decrease along separatrices become thinner with increasing guide fields. Besides, we find a transition from a quadrupolar to a hexapolar (six-polar) to an octopolar (eight-polar) structure in temperature anisotropy and parallel temperature as the guide field intensifies. Non-Maxwellian electron velocity distribution functions (EVDFs) at different locations in the three simulations are observed. Our results show that parallel electron velocity varies notably with different guide field intensities and finite parallel electron heat flux density is observed. The three simulations exhibit features of the Chew–Goldberger–Low theory, with the level of consistency increasing as the guide field strength increases. This explains the electron parallel temperature variations and the shape of the EVDFs observed along the separatrices. This work may provide insights into the understanding of electron heating and parallel heat flux density in E-REC observed in the turbulent magnetosheath.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Exciton Fine Structure in 2D Perovskites: The Out‐of‐Plane Excitonic State

2D Ruddlesden‐Popper metal‐halide perovskites feature particularly strong excitonic effects, making them a fascinating playground for studying exciton physics. A complete understanding of the properties of this quasi‐particle is crucial to fully exploit the tremendous potential of 2D perovskites (2DP) in light emission applications. Despite intense investigations, some of the exciton properties remain elusive to date, for example, the energy‐ordering of the exciton states within the so‐called fine structure manifold. Using optical spectroscopy, it demonstrates that in the archetypical 2DP (PEA) 2 PbI 4 , in contradiction to theoretical predictions, the energy of the bright out‐of‐plane exciton state is higher than that of two in‐plane states. Having elucidated the order of exciton fine structure, it determines the g ‐factor of the dark exciton transition, together with the values of the electron and hole g ‐factors in the direction parallel to the c ‐axis of the crystal. In this way, it provides for the first time, a complete picture of the exciton fine structure in (PEA) 2 PbI 4 2DP.

2D perovskites↗