Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “guide”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The effect of reconnection electric field on crescent and U-shaped distribution functions in asymmetric reconnection with no guide field

Electron distribution functions in the electron diffusion region in asymmetric reconnection without a guide field are studied by means of theory and 2-dimensional particle-in-cell (PIC) simulations. The effect of the reconnection electric field on crescent-shaped distribution functions is to broaden the thickness of the crescent. In this paper, we express the thickness of the crescent as a function of field strengths, the distance from the X-line, and the time electrons spend executing meandering orbits. The electron distribution at the reconnection X-line exhibits a U-shaped structure with an opening angle in the direction of the reconnection electric field. We predict the opening angle of the U-shaped distribution by considering acceleration of the meandering electrons by the reconnection electric field. Results from particle tracing in PIC simulations and theoretical analysis agree. The above predictions provide guidance to interpret measurements by spacecraft from electron diffusion regions in asymmetric reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Guided ion beam and theoretical studies of the bond energy of SmS +

Previous work has shown that atomic samarium cations react with carbonyl sulfide to form SmS + + CO in an exothermic and barrierless process. To characterize this reaction further, the bond energy of SmS + is determined in the present study using guided ion beam tandem mass spectrometry. Reactions of SmS + with Xe, CO, and O 2 are examined. Results for collision-induced dissociation processes with all three molecules along with the endothermicity of the SmS + + CO → Sm + + COS exchange reaction are combined to yield D 0 (Sm + –S) = 3.37 ± 0.20 eV. The CO and O 2 reactions also yield a SmSO + product, with measured endothermicities that indicate D 0 (SSm + –O) = 3.73 ± 0.16 eV and D 0 (OSm + –S) = 1.38 ± 0.27 eV. The SmS + bond energy is compared with theoretical values characterized at several levels of theory, including CCSD(T) complete basis set extrapolations using all-electron basis sets. Multireference configuration interaction calculations with explicit spin-orbit calculations along with composite thermochemistry using the Feller-Peterson-Dixon method and all-electron basis sets were also explored for SmS+, and for comparison, SmO, SmO + , and EuO

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Three-dimensional plasmoid-mediated reconnection and the effect of toroidal guide field in simulations of coaxial helicity injection

Physics of three-dimensional plasmoid-mediated magnetic reconnection during transient Coaxial Helicity Injection (CHI) plasma start-up is explored using nonlinear MHD simulations in a spherical tokamak. We numerically examine (i) the role of three-dimensional magnetic fluctuations arising from current-sheet instabilities on the formation of plasmoid-mediated closed flux surfaces, and (ii) the effect of toroidal guide field on the MHD stability during transient CHI. Here, we find that even in the presence of nonaxisymmetric edge magnetic fluctuations, current-carrying axisymmetric (n = 0) plasmoids are rapidly formed while twisted open field lines are being injected and are merged to form a large current-carrying magnetic bubble for plasma startup in a tokamak. Additionally, it is discovered that the 3-D physics response is drastically different for simulations at a higher toroidal field, and complete stabilization of nonaxisymmetric fluctuations was achieved at a higher toroidal flux.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Particle heating and energy partition in low- β guide field reconnection with kinetic Riemann simulations

Kinetic Riemann simulations have been completed to investigate particle heating during guide field reconnection in the low-β environment of the inner heliosphere and the solar corona. The reconnection exhaust is bounded by two rotational discontinuities (RDs), and two slow shocks (SSs) form within the exhaust as in magnetohydrodynamic (MHD) models. At the RDs, ions are accelerated by the magnetic field tension to drive the reconnection outflow as well as flows in the out-of-plane direction. The out-of-plane flows stream toward the midplane and meet to drive the SSs. The SSs differ greatly from those in the MHD model. The turbulence at the shock fronts and both upstream and downstream is weak, and so the shocks are laminar and produce little dissipation. Downstream of the SSs, the counterstreaming ion beams lead to higher density, which leads to a positive potential between the SSs which acts to confine the downstream electrons to maintain charge neutrality. The potential accelerates electrons from upstream of the SSs to the downstream region and traps a small fraction but only modestly increases the downstream electron temperature above the upstream value. In the low-β limit, the released magnetic energy is split between bulk flow and ion heating with little energy going to electrons. That the model produces neither strong electron heating nor an energetic electron component implicates that other mechanisms, such as multiple x-line reconnection, are required to explain energetic electron production in large flares. The model can be tested with the expected data from the Parker Solar Probe.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Bond energy of ThN + : A guided ion beam and quantum chemical investigation of the reactions of thorium cation with N 2 and NO

Kinetic-energy dependent reactions of Th + with N 2 and NO are studied using a guided ion beam tandem mass spectrometer. The formation of ThO + in the reaction of Th + with NO is observed to be exothermic and barrierless with a reaction efficiency at low energies of 0.91 ± 0.18. Formation of ThN + in the reactions of Th + with N 2 and NO is endothermic in both cases. The kinetic-energy dependent cross sections for formation of this product ion were evaluated to determine a 0 K bond dissociation energy (BDE) of D 0 (Th + –N) = 6.51 ± 0.08 eV, the first direct measurement of this BDE. Additionally, the reactions were explored by quantum chemical calculations, including a full Feller-Peterson-Dixon composite approach with correlation contributions up to CCSDTQ for ThN and ThN + , as well as more approximate CCSD(T) calculations where a semiempirical model was used to estimate spin-orbit energy contributions. As a result, the ThN + BDE is found to be larger than those of the transition metal congeners, TiN + along with estimated values for ZrN + and HfN + , believed to be a result of the actinide contraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High power edge-cum-surface emitting terahertz laser arrays phased locked by vacuum guided plasmon waves

Terahertz semiconductor quantum-cascade lasers (QCLs) are widely implemented with metallic cavities that support low-loss plasmonic optical modes at long wavelengths. However, resonant optical modes in such cavities suffer from poor radiative characteristics due to their subwavelength transverse dimensions. Consequently, single-mode terahertz QCLs with metallic cavities and large (>100 mW) output power have only been realized in the surface-emitting configuration that affords a large radiating surface. Here, we demonstrate a method to enhance radiative outcoupling from such plasmonic lasers for high-power emission in the edge-emitting (end-fire or longitudinal) direction. Single-sided plasmon waves propagating in vacuum are resonantly excited in surrounding medium of metallic cavities with the QCL semiconductor medium. The vacuum guided plasmon waves with a large wavefront phase-lock multiple metallic cavities longitudinally, which leads to intense radiation in multiple directions, including that in the longitudinal direction in a narrow single-lobed beam. The multicavity array radiates predominantly in a single spectral mode. A peak-power output of 260 mW and a slope efficiency of 303 mW/A are measured for the end-fire beam from a 3.3 THz QCL operating at 54 K in a Stirling cooler. Finally, single-mode operation and lithographic tuning across a bandwidth of ~150 GHz are demonstrated.

42 ENGINEERING↗
DOE OSTI2021

Model fusion with physics-guided machine learning: Projection-based reduced-order modeling

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatiotemporal scales has enabled the rapid advancement of data-driven and especially deep learning models in the field of fluid mechanics. Although these methods are proven successful for many applications, there is a grand challenge of improving their generalizability. This is particularly essential when data-driven models are employed within outer-loop applications like optimization. In this work, we put forth a physics-guided machine learning (PGML) framework that leverages the interpretable physics-based model with a deep learning model. Leveraging a concatenated neural network design from multi-modal data sources, the PGML framework is capable of enhancing the generalizability of data-driven models and effectively protects against or inform about the inaccurate predictions resulting from extrapolation. We apply the PGML framework as a novel model fusion approach combining the physics-based Galerkin projection model and long- to short-term memory (LSTM) network for parametric model order reduction of fluid flows. We demonstrate the improved generalizability of the PGML framework against a purely data-driven approach through the injection of physics features into intermediate LSTM layers. Our quantitative analysis shows that the overall model uncertainty can be reduced through the PGML approach, especially for test data coming from a distribution different than the training data. Moreover, we demonstrate that our approach can be used as an inverse diagnostic tool providing a confidence score associated with models and observations. The proposed framework also allows for multi-fidelity computing by making use of low-fidelity models in the online deployment of quantified data-driven models.

42 ENGINEERING↗
DOE OSTI2021

Lower-hybrid drift waves and their interaction with plasmas in a 3D symmetric reconnection simulation with zero guide field

We investigate lower-hybrid drift waves (LHDW) in symmetric magnetic reconnection with zero guide field using three-dimensional particle-in-cell simulations. The long-wavelength mode with kρiρe∼1 develops in the bifurcated electron current layer around the X-line within the width of the electron meandering motion from the mid-plane, where ρi(e) is the ion (electron) gyroradius. The short-wavelength mode with kρe∼1 develops in the separatrix region downstream of the electron outflow jet, producing electron vortices in the background flow frame. Electrons follow the E × B drift with corrections from the diamagnetic drift and are heated inside the vortices with diverging electric fields. In the vortices, ions have comparable E × B and inertia drifts, which together mostly cancel the diamagnetic drift. Toward the center of diverging field vortices, ions are decelerated, leading to a decrease in the perpendicular temperature, while the loss of low-energy ions results in an increase in the parallel temperature. Parallel electric fields exist as a combination of the LHDW wave field projected to the magnetic field direction and the penetration of whistler waves that are mainly outside of the LHDW layer. The magnetic flux tube is twisted in the vortices. The twist may potentially lead to slippage reconnection, as indicated by the non-uniform parallel potential variation across field lines, while the periodic variations of the twisting directions are a limiting factor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Whistler waves generated by nongyrotropic and gyrotropic electron beams during asymmetric guide field reconnection

Using a two-dimensional particle-in-cell simulation of asymmetric reconnection with a guide field whose strength is 0.3 times the reconnecting magnetic field, we study electron distribution functions and wave intensities in the diffusion region, focusing on the electron diffusion region (EDR). Wave activities with frequencies below the electron cyclotron frequency are observed, and these are whistler waves propagating almost anti-parallel to the magnetic field. The waves are concentrated near the magnetospheric separatrix away from the X line, but the wave activity also spreads through the EDR near the X line. The reconnection outflows are asymmetric in the outflow direction in the magnetospheric side, and the wave intensity is stronger in the side of the faster electron outflow. We study the whistler waves using the fast Fourier transform, analyses of electron velocity distribution functions, and the dispersion solver calculation. Along the magnetospheric separatrix in the stronger outflow side, highly anisotropic electron beams exist with super-Alfvénic drift speeds. The dispersion analysis shows that there are two modes: a temperature anisotropy mode and a beam mode. Outside the EDR, the whistler wave intensity is highest near the separatrix, but the wave intensity decreases if we move away from the separatrix toward the magnetic neutral line because of the increase in the electron population near zero parallel velocity. In the EDR, in the velocity plane perpendicular to the magnetic field, ring/crescent electron distribution functions are observed. Near the X-line, the wave power is enhanced where nongyrotropic electrons contribute to increase the perpendicular temperature anisotropy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Practical guide to replica exchange transition interface sampling and forward flux sampling

Path sampling approaches have become invaluable tools to explore the mechanisms and dynamics of the so-called rare events that are characterized by transitions between metastable states separated by sizable free energy barriers. Their practical application, in particular to ever more complex molecular systems, is, however, not entirely trivial. Here, focusing on replica exchange transition interface sampling (RETIS) and forward flux sampling (FFS), we discuss a range of analysis tools that can be used to assess the quality and convergence of such simulations, which is crucial to obtain reliable results. The basic ideas of a step-wise evaluation are exemplified for the study of nucleation in several systems with different complexities, providing a general guide for the critical assessment of RETIS and FFS simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Testing the conservative character of particle simulations: I. Canonical and noncanonical guiding center model in Boozer coordinates

The guiding center (GC) Lagrangian in Boozer coordinates for toroidally confined plasmas can be cast into canonical form by eliminating terms containing the covariant component B Ψ P of the magnetic field vector with respect to the poloidal flux function Ψ P . In an unperturbed plasma, B Ψ P can be eliminated via exact coordinate transformations, but, in general, one relies on approximations, assuming that the effect of B Ψ P is small. In this work, we are interested in the question whether Hamiltonian conservation laws are still satisfied when B Ψ P is retained in the presence of fluctuations. Considering fast ions in the presence of a shear Alfvén wave field with fixed amplitude, fixed frequency, and a single toroidal mode number n, we show that simulations using the code ORBIT with and without B Ψ P yield practically the same resonant and nonresonant GC orbits. The numerical results are consistent with theoretical analyses (presented in the appendix), which show that the unabridged GC Lagrangian with B Ψ P retained yields equations of motion that possess two key properties of Hamiltonian flows: (i) phase space conservation and (ii) energy conservation. As counter-examples, we also show cases where energy conservation (ii) or both conservation laws (i) and (ii) are broken by omitting certain small terms. When testing the conservative character of the simulation code, it is found to be beneficial to apply perturbations that do not resemble normal (eigen) modes of the plasma. The deviations are enhanced and, thus, more easily spotted when one inspects wave-particle interactions using nonnormal modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

3D simulation of lower-hybrid drift waves in strong guide field asymmetric reconnection in laboratory experiments

The magnetic reconnection experiment has recently seen short wavelength ([Formula: see text]) lower-hybrid waves near the electron diffusion region in strong guide field reconnection. Based on plasma parameters from the experiment, we perform a three-dimensional fully kinetic simulation in order to investigate the generation of the lower-hybrid waves and their effects on the reconnection process. We find that the low-beta regions around the reconnection site are unstable to the lower-hybrid drift instability propagating in the outflow direction, driven by the difference between the electron and ion outflows. The waves modify the electron distributions, leading to periodic opening and closing of gaps in electron velocity space, and provide a small contribution to the anomalous resistivity. Finally, the simulation results are discussed in the context of space observations and laboratory experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Computationally guided experimental validation of divacancy defect formation in 4H-SiC

Recent research into solid-state qubits for quantum information science has focused on optically addressable spin defects such as the negatively charged nitrogen-vacancy center in diamond and the neutrally charged divacancy (VV) in 4H-SiC as scalable quantum sensors and networking qubits. Within this context, direct investigations of the structural origin and defect formation dynamics of a sub-set of the VV center in 4H-SiC remain lacking. Here, we take a systematic experimental approach guided by predictions from first-principles simulations to gain a thorough mechanistic understanding of the VV defect formation and control in 4H-SiC. We study the effect of annealing time and temperature on VV formation in high-purity semi-insulating 4H-SiC samples following electron irradiation. Three different temperatures (1123, 1273, and 1473 K) and annealing duration (from 0.5 to 72 h) are chosen to explore VV formation in different regions. We find that samples annealed at 1273 K give the highest VV-related photoluminescence (PL) intensities, in agreement with the prediction from first-principles calculations. Furthermore, the logarithmic dependence of VV-related PL intensities on the annealing duration at 1273 K indicates that 1273 K provides sufficient thermal energy for silicon vacancy migration but not for VV migration. Together, these results suggest that efficient VV formation occurs above the V Si migration temperature and below the VV migration threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Guiding center equations for the magnetic dipole

Since the discovery of Van Allen radiation belts in the 1960s, observations of energetic ions trapped in the Earth's dipole magnetic field have illustrated the remarkable confinement properties of this configuration. As such, it has been used for confining a hot plasma for nuclear fusion studies, starting from the pioneering work of Bo Lehnert and Akira Hasegawa, in the Levitated Dipole Experiment (LDX) at MIT until 2011 and in the RT-1 experiment at the University of Tokyo. More recently, the dipole has been subject to a renewed interest for fusion studies by a couple of startups and for smaller applications as a cold plasma source. While the equilibrium and magneto-hydrodynamic stability of the dipole have been investigated quite in detail, neoclassical properties of the dipole are comparatively much less known: the dipole is more known in geophysics than in fusion science. For this reason, in this paper, we propose a set of Hamiltonian, guiding-center equations to describe the motion of electrons and ions in a magnetic dipole configuration. We also developed a code, and we show the main features of particle motion, benchmarking our results with the analytical solutions for the bounce and precession motion, which are well documented in the literature. We also draw some general conclusions for the neoclassical transport in usual toroidal confinement schemes, such as the tokamak and the stellarator, pointing out the unique advantages of the dipole in confining energetic particles.

Hamiltonian mechanics↗
DOE OSTI2026

Activation of methane by U + studied by guided ion beam tandem mass spectrometry and quantum chemistry

Reaction pathways of all products formed in the U + + CH 4 (CD 4 ) reaction were explored as a function of kinetic energy using guided ion beam tandem mass spectrometry and quantum chemical calculations. UH + , UC + , UCH + , UCH 2 + , and UCH 3 + (and their perdeuterated analogues) are formed in endothermic reactions. In both systems, the UCH 2 + (UCD 2 + ) dehydrogenated product was the dominant product in the low-energy region, whereas the UH + (UD + ) hydride product became predominant at high energies. The kinetic energy behavior of the various products is consistent with a common intermediate of H–U + –CH 3 (D–U + –CD 3 ). Here, the kinetic energy dependence of all product cross sections was modeled to obtain experimental bond dissociation energies at 0 K (in eV): D 0 (U + –H) = 2.42 ± 0.10, D 0 (U + –C) = 3.95 ± 0.12, D 0 (U + –CH) = 4.91 ± 0.09, D 0 (U + –CH 2 ) = 4.11 ± 0.04, and D 0 (U + –CH 3 ) = 2.41 ± 0.09. Quantum chemical calculations using the UCCSD(T) and UB3LYP approaches with the cc-pwCVXZ-PP basis set with MDF-60 pseudopotential for U + and the aug-cc-pCVXZ and aug-cc-pVXZ (X = T, Q) basis set for carbon and hydrogen, respectively, validate the experimental bond dissociation energies and outline the potential energy surface for all reactions observed. In addition, spin–orbit corrections of the bond energies for all products were calculated at a CASSCF-CASPT2-RASSI level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗
DOE OSTI2013

Guiding effect of quantum wells in semiconductor lasers

The guiding effect of InGaAs quantum wells in GaAs- and InP-based semiconductor lasers has been studied theoretically and experimentally. The results demonstrate that such waveguides can be effectively used in laser structures with a large refractive index difference between the quantum well material and semiconductor matrix and a large number of quantum wells (e.g. in InP-based structures). (semiconductor lasers. physics and technology)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Skip residues modulate the structural properties of the myosin rod and guide thick filament assembly

The rod of sarcomeric myosins directs thick filament assembly and is characterized by the insertion of four skip residues that introduce discontinuities in the coiled-coil heptad repeats. We report in this paper that the regions surrounding the first three skip residues share high structural similarity despite their low sequence homology. Near each of these skip residues, the coiled-coil transitions to a nonclose-packed structure inducing local relaxation of the superhelical pitch. Moreover, molecular dynamics suggest that these distorted regions can assume different conformationally stable states. In contrast, the last skip residue region constitutes a true molecular hinge, providing C-terminal rod flexibility. Assembly of myosin with mutated skip residues in cardiomyocytes shows that the functional importance of each skip residue is associated with rod position and reveals the unique role of the molecular hinge in promoting myosin antiparallel packing. By defining the biophysical properties of the rod, the structures and molecular dynamic calculations presented here provide insight into thick filament formation, and highlight the structural differences occurring between the coiled-coils of myosin and the stereotypical tropomyosin. Finally, in addition to extending our knowledge into the conformational and biological properties of coiled-coil discontinuities, the molecular characterization of the four myosin skip residues also provides a guide to modeling the effects of rod mutations causing cardiac and skeletal myopathies.

59 BASIC BIOLOGICAL SCIENCES↗