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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Predicting Oxygen Off-Stoichiometry and Hydrogen Incorporation in Complex Perovskite Oxides

Chemically and structurally complex solid compounds, including those with significant off-stoichiometry, are rapidly extending new material functionality across a variety of applications. Accelerated development of these compounds requires accurate predictions of material defect properties including effective defect formation energies and equilibrium defect concentrations. Traditional first-principles approaches typically examine dilute defect concentrations and relatively ordered atomic structures to identify the lowest energy defect sites. These approaches are rarely suitable for describing the disorder present in these systems and its influence on defect formation, which can lead to unphysically large predictions for defect concentrations. Here, we demonstrate a new method to accurately predict the temperature and pressure dependence of oxygen vacancy concentrations and proton interstitial concentrations in complex oxides. This method extends standard dilute defect calculations to incorporate atomic and magnetic disorder, employs the ensemble descriptions of defect sites resulting in improved predictions of defect formation energies, and accounts for effects beyond the dilute defect limit. To demonstrate our method, we show that the predicted defect concentrations in perovskites used as ceramic fuel cell cathodes, including Ba0.5Sr0.5Fe0.8Zn0.2O3-d, Ba0.5Sr0.5Co0.8Fe0.2O3-d, and BaCo1-x-y-zFexZryYzO3-d, are in good agreement with experimental values, thereby opening the door for predictive design of complex oxides by these applications.

DFT↗
DOE OSTI2024

Simulations of radiatively cooled magnetic reconnection driven by pulsed power

Magnetic reconnection is an important process in astrophysical environments, as it reconfigures magnetic field topology and converts magnetic energy into thermal and kinetic energy. In extreme astrophysical systems, such as black hole coronae and pulsar magnetospheres, radiative cooling modifies the energy partition by radiating away internal energy, which can lead to the radiative collapse of the reconnection layer. In this paper, we perform two- and three-dimensional simulations to model the MARZ (Magnetic Reconnection on Z) experiments, which are designed to access cooling rates in the laboratory necessary to investigate reconnection in a previously unexplored radiatively cooled regime. These simulations are performed in GORGON, an Eulerian two-temperature resistive magnetohydrodynamic code, which models the experimental geometry comprising two exploding wire arrays driven by 20 MA of current on the Z machine (Sandia National Laboratories). Radiative losses are implemented using non-local thermodynamic equilibrium tables computed using the atomic code Spk, and we probe the effects of radiation transport by implementing both a local radiation loss model and P 1/3 multi-group radiation transport. The load produces highly collisional, super-Alfvénic (Alfvén Mach number M A ≈ 1.5), supersonic (Sonic Mach number M S ≈ 4–5) strongly driven plasma flows which generate an elongated reconnection layer (Aspect Ratio L/δ≈100 , Lundquist number S L ≈ 400). The reconnection layer undergoes radiative collapse when the radiative losses exceed the rates of ohmic and compressional heating (cooling rate/hydrodynamic transit rate = τ$^{–1}_{cool}$/τ$^{–1}_{H}$ ≈100); this generates a cold strongly compressed current sheet, leading to an accelerated reconnection rate, consistent with theoretical predictions. Lastly, the current sheet is also unstable to the plasmoid instability, but the magnetic islands are extinguished by strong radiative cooling before ejection from the layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effects of Injected Current Streams on MHD Equilibrium Reconstruction of Local Helicity Injection Plasmas in a Spherical Tokamak

Open field line currents are intrinsic to DC helicity injection plasma startup and pose a challenge for inferring the plasma equilibrium with standard reconstruction analysis. Local helicity injection (LHI) is a type of DC helicity injection which uses small, modular current sources to drive force-free current along helical field lines to produce tokamak plasmas. MHD modeling and magnetic measurements during LHI indicate the injected current streams remain coherent as helical structures on the outboard edge of a core toroidal plasma that is tokamak-like in a toroidally averaged sense. To extract core plasma equilibrium properties, external magnetic diagnostics corrected for contributions from the injected current streams are fitted by a standard Grad-Shafranov equilibrium code. An iterative approach for estimating and subtracting the stream contributions from the diagnostic signals is described and applied to a model equilibrium database to reduce systematic errors introduced by the streams. Convergence is usually attained with 2 to 4 iterations, with derived equilibrium parameters matching the prescribed axisymmetric core values to within estimated experimental uncertainties. Accurate recovery of core parameters occurs when the ratio of the net toroidal windup current from the streams to the core plasma current is less than 0.2, which is typically satisfied in most experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Positional ordering induced by dynamic steric interactions in superparamagnetic rods

The dynamic motion produced by precessing magnetic fields can drive matter into far-from-equilibrium states. We predict 1D periodic ordering in systems of precessing rods when magnetic interactions between rods remain insignificant. The precession angle of the rods is completely determined by the field's precession angle and the ratio of the field's precession frequency and the characteristic response frequency of the rods. Here, we develop a molecular dynamics model that explicitly calculates magnetic interactions between particles, and we also simulate rods in the limit of a strong and fast precessing magnetic field where inter-rod magnetic interactions are negligible, using a purely steric model. Our simulations show how steric interactions drive the rods from a positionally disordered phase (nematic) to a layered (smectic) phase. As the rod precession angle increases, the nematic–smectic transition density significantly decreases. The minimization of unfavorable steric interactions also induces phase separation in binary mixtures of rods of different lengths. This effect is general to any force that produces precession in elongated particles. This work will advance the understanding and control of out-of-equilibrium soft matter systems.

42 ENGINEERING↗
NASA NTRS1971

Convective motion and the structure of the Jupiter magnetosphere

The convective motion and its relation to the electric field in the magnetosphere of Jupiter are investigated. It is shown that the electric field is induced in the Jovian ionosphere due to the corotating action of the ionospheric gases and further is communicated into the magnetosphere along the magnetic lines of force which connect between the ionosphere and the magnetosphere. This electric field drives the plasma to corotate with the planet in the magnetosphere. The distribution of the electric field and its effect on the plasma motion is estimated in the magnetosphere. The shape of the magnetosphere is then estimated considering the equilibrium condition. Discussion is given on the equilibrium plasma distribution in the magnetosphere and on the condition for the excitation of wave-particle interaction at the Io orbit.

Sakurai, K.↗
NASA NTRS1993

Application of multigrid methods to the solution of liquid crystal equations on a SIMD computer

We will describe a finite difference code for computing the equilibrium configurations of the order-parameter tensor field for nematic liquid crystals in rectangular regions by minimization of the Landau-de Gennes Free Energy functional. The implementation of the free energy functional described here includes magnetic fields, quadratic gradient terms, and scalar bulk terms through the fourth order. Boundary conditions include the effects of strong surface anchoring. The target architectures for our implementation are SIMD machines, with interconnection networks which can be configured as 2 or 3 dimensional grids, such as the Wavetracer DTC. We also discuss the relative efficiency of a number of iterative methods for the solution of the linear systems arising from this discretization on such architectures.

Farrell, Paul A.↗
NASA NTRS1980

Analytic solutions for single and multiple cylinders of gravitating polytropes in magnetostatic equilibrium

Exact analytic solutions for the static equilibrium of a gravitating plasma polytrope in the presence of magnetic fields are presented. The means of generating various equilibrium configurations to illustrate directly the complex physical relationships between pressure, magnetic fields, and gravity in self-gravitating systems is demonstrated. One of the solutions is used to model interstellar clouds suspended by magnetic fields against the galactic gravity such as may be formed by the Parker (1966) instability. It is concluded that the pinching effect of closed loops of magnetic fields in the clouds may be a dominant agent in further collapsing the clouds following their formation.

Lerche, I.↗
DOE OSTI2026

Transitions, Dynamics, and Driven States in Quantum Magnets (Final Report Revised)

Transitions into unusual electronic, optical, and magnetic states at the absolute zero of temperature display special properties that teach us about fundamental quantum mechanics and also underlie important technologies. These so-called quantum phase transitions intertwine the static and dynamical responses of the materials changing state. They are extremely sensitive to the effects of disorder and etch in high relief the role of quantum fluctuations. There are ample questions remaining about the character of such transitions and the nature of the competing quantum states. There are also opportunities to drive quantum materials out of equilibrium, with the possibility of new types of correlated and coherent order, and new ways to access the dynamical evolution of ground and excited states. We have investigated how the order develops in time and space, and the nature of the final configurations. We are able to compare and contrast classical and quantum excitations in our experimental system of choice, and thereby can trace the relative speed by which the system settles into its lowest-energy ground state. This comparison of quantum and classical annealing protocols lies at the heart of strategies for harnessing the power of quantum computers dedicated to optimization problems. A combination of magnetic susceptibility measurements at finite frequency where the magnetic spins are queried by an external ac field, dc magnetometry measurements that characterize the macroscopic strength of magnetic order and its resistance to change, noise measurements that reveal the microscopic fluctuations of the spins as they prepare to change state, and microwave spectroscopy to look at the response of both the electronic and nuclear degrees of freedom, have been performed as functions of temperature, magnetic field, frequency, excitation amplitude, magnetic spin concentration, and disorder. This combination of probes addresses issues of stability over time, overlap between spin states, the ability of the spins to respond independently or coherently, and the promise of control on the nanometer length scale. The research reported here provides insights into fundamental quantum physics. It also addresses the question of how best to use complex systems, such as magnetic solids, to stably process quantum information.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Spin-phonon dispersion in magnetic materials

Microscopic coupling between the electron spin and the lattice vibration is responsible for an array of exotic properties from morphic effects in simple non magnets to magnetodielectric coupling in multiferroic spinels and hematites. Traditionally, a single spin–phonon coupling constant is used to characterize how effectively the lattice can affect the spin, but it is hardly enough to capture novel electromagnetic behaviors to the full extent. Here, we introduce a concept of spin–phonon dispersion to project the spin moment change along the phonon crystal momentum direction, so the entire spin change can be mapped out. Different from the phonon dispersion, the spin–phonon dispersion has both positive and negative frequency branches even in the equilibrium ground state, which correspond to the spin enhancement and spin reduction, respectively. Our study of bcc Fe and hcp Co reveals that the spin force matrix, that is, the second-order spatial derivative of spin moment, is similar to the vibrational force matrix, but its diagonal elements are smaller than the off-diagonal ones. This leads to the distinctive spin–phonon dispersion. Furthermore, the concept of spin–phonon dispersion expands the traditional Elliott-Yafet theory in nonmagnetic materials to the entire Brillouin zone in magnetic materials, thus opening the door to excited states in systems such as CoF 2 and NiO, where a strong spin-lattice coupling is detected in the THz regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Theory of the ion–electron temperature relaxation rate in strongly magnetized plasmas

Recent works have shown that strongly magnetized plasmas characterized by having a gyrofrequency greater than the plasma frequency exhibit novel transport properties. One example is that the friction force on a test charge shifts, obtaining components perpendicular to its velocity in addition to the typical stopping power component antiparallel to its velocity. Here, we apply a recent generalization of the Boltzmann equation for strongly magnetized plasmas to calculate the ion–electron temperature relaxation rate. Strong magnetization is generally found to increase the temperature relaxation rate perpendicular to the magnetic field and to cause the temperatures parallel and perpendicular to the magnetic field to not relax at equal rates. This, in turn, causes a temperature anisotropy to develop during the equilibration. Strong magnetization also breaks the symmetry of independence of the sign of the charges of the interacting particles on the collision rate, commonly known as the “Barkas effect.” Furthermore, it is found that the combination of oppositely charged interaction and strong magnetization causes the ion–electron parallel temperature relaxation rate to be significantly suppressed, scaling inversely proportional to the magnetic field strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Effects of neoclassical tearing modes and toroidal field ripple on lost alpha power in the SPARC tokamak

Here, using the SPIRAL Monte Carlo, full particle-orbit simulation code, we investigate the effects of neoclassical tearing modes (NTMs) and toroidal field (TF) ripple on alpha power losses during steady-state operation of the SPARC primary reference discharge. Model perturbations for TF ripple and the $m/n = 2/1$ and $3/2$ NTMs with exaggerated widths selected based on an H-mode plasma approaching thermal quench are added to a simulated SPARC magnetic equilibrium through which marker particles are tracked. The 3/2 and 2/1 NTMs are located at $\rho_{\mathrm{pol}} \sim 0.76$ and $\rho_\mathrm{pol} \sim 0.86$ respectively, well positioned to increase alpha particle transport into and within an outer lossy region of the plasma beyond $\rho_\mathrm{pol} \sim 0.8$ where over 95% of lost alpha particles are born. Total alpha power losses are shown to increase modestly from 1.73% lost at a minimum to 2.34% lost at a maximum, and alpha particle surface power densities form localized hotspots on the first-wall near the low-field side midplane due to NTMs and TF ripple. We establish a conservative upper limit for first-wall alpha surface power densities on a toroidally symmetric wall for typical, flattop operation and motivate the consideration of NTMs in the design of three dimensional limiter surfaces for SPARC.

alpha power losses↗
NASA NTRS1994

Magnetic mapping and Birkeland currents in the Toffoletto-Hill and Tsyganenko magnetosphere models

We investigate the mapping of magnetic flux tubes between the high-latitude ionosphere and the equatorial magnetosphere, using the Toffoletto and Hill (1989) theoretical model and the Tsyganenko (1987, 1989) empirical models. In all models, strong distortion of flux tubes occurs near the magnetopause and in the distant tail. These effects are illustrated for various interplanetary magnetic field directions in the Toffoletto and Hill (1989) model and for various Kp values in the Tsyganenko (1987, 1989) model. We calculate the Birkeland current that is actually present in each model (from Ampere's law), as well as the Birkeland current that would be implied if the model were in magnetostatic equilibrium with isotropic plasma pressure (from the Vasyliunas equation). Comparison of the actual and implied Birkeland currents indicates that no physically significant Birkeland current is included in any of the models tested. Each model contains a 'noise' component of Birkeland current that is, however, much smaller in magnitude than the 'real' Birkeland currents that remain to be included.

Ding, Cheng↗
DOE OSTI2020

Effective pair potential for random fcc CoCrFeMnNi alloys

The single-phase equiatomic CoCrFeMnNi alloy is a random solid solution of five elements on the face-centered cubic lattice, whose pure constituents crystallize in very different structures and exhibit diverse magnetic properties. Due to the randomness of the alloy, 80% of nearest neighbor bonds are between unlike elements and thus the details of bonding in pure structures are less important. The elastic moduli of this alloy give rise to small Cauchy pressure C 12 - C 44 , which suggests that the dominant part of bonding may be described by a simple pair potential. We test this hypothesis by developing a long-range Lennard-Jones potential in which the equilibrium crystal structures of pure constituents are taken as reference. The standard mixing rules for regular solutions are then adopted to obtain parameters for bonds between unlike elements in the quinary system. The transferability of this potential to quaternary CoCrFeNi, ternary CoCrNi, and binary FeNi alloys is investigated and the predictions compared with experiments and density functional theory calculations. By sampling over a large number of random configurations, we investigate the effect of compositional randomness on misfit volumes, energies of point defects and stacking faults, and the dislocation friction stresses experienced by moving edge and screw dislocations.

Materials Science↗
DOE OSTI2019

Magnetization dynamics of weakly interacting sub-100 nm square artificial spin ices

Artificial Spin Ice (ASI), consisting of a two dimensional array of nanoscale magnetic elements, provides a fascinating opportunity to observe the physics of out-of-equilibrium systems. Initial studies concentrated on the static, frozen state, whilst more recent studies have accessed the out-of-equilibrium dynamic, fluctuating state. This opens up exciting possibilities such as the observation of systems exploring their energy landscape through monopole quasiparticle creation, potentially leading to ASI magnetricity, and to directly observe unconventional phase transitions. In this work we have measured and analysed the magnetic relaxation of thermally active ASI systems by means of SQUID magnetometry. We have investigated the effect of the interaction strength on the magnetization dynamics at different temperatures in the range where the nanomagnets are thermally active. We have observed that they follow an Arrhenius-type Néel-Brown behaviour. An unexpected negative correlation of the average blocking temperature with the interaction strength is also observed, which is supported by Monte Carlo simulations. The magnetization relaxation measurements show faster relaxation for more strongly coupled nanoelements with similar dimensions. The analysis of the stretching exponents obtained from the measurements suggest 1-D chain-like magnetization dynamics. This indicates that the nature of the interactions between nanoelements lowers the dimensionality of the ASI from 2-D to 1-D. Finally, we present a way to quantify the effective interaction energy of a square ASI system, and compare it to the interaction energy computed with micromagnetic simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1982

Thermonuclear processes on accreting neutron stars - A systematic study

A series of model calculations for the evolution of the surface layers of an accreting neutron star is carried out. The neutron star mass, radius, core temperature, and surface magnetic field strength are systematically varied, as are the accretion rate onto the neutron star surface and the metallicity of the accreting matter, in order to determine the effects of these parameters on the properties of thermonuclear flashes in the surface layers and the emitted X-ray bursts that result from such flashes. The core temperatures required for thermal equilibrium are found to be approximately a factor of 2 lower than estimated in earlier work. Owing to the effects of the gravitational redshift, the emitted X-ray bursts have lower peak luminosities and longer durations than those calculated in the Newtonian approximation. The entrainment of hydrogen into helium flashes can cause the flashes to exhibit a rather wide range of observable effects and can decrease by a factor of more than 2 the ratio of persistent accretion-driven luminosity to time-averaged burst luminosity emitted by the neutron star.

Ayasli, S.↗
NASA NTRS1985

On magnetohydrodynamic thermal instabilities in magnetic flux tubes

The stability of current-driven filamentary modes in magnetic flux tubes embedded in a plane-parallel atmosphere in LTE and in hydrostatic equilibrium is discussed. Within the tube, energy transport by radiation only is considered. The dominant contribution to the opacity is due to H- ions and H atoms (in the Paschen continuum). A region in the parameter space of the equilibrium configuration in which the instability is effective is delimited, and the relevance of this process for the formation of structured coronae in late-type stars and accretion disks is discussed.

Massaglia, S.↗
NASA NTRS2012

Dipole Alignment in Rotating MHD Turbulence

We present numerical results from long-term CPU and GPU simulations of rotating, homogeneous, magnetohydrodynamic (MHD) turbulence, and discuss their connection to the spherically bounded case. We compare our numerical results with a statistical theory of geodynamo action that has evolved from the absolute equilibrium ensemble theory of ideal MHD turbulence, which is based on the ideal MHD invariants are energy, cross helicity and magnetic helicity. However, for rotating MHD turbulence, the cross helicity is no longer an exact invariant, although rms cross helicity becomes quasistationary during an ideal MHD simulation. This and the anisotropy imposed by rotation suggests an ansatz in which an effective, nonzero value of cross helicity is assigned to axisymmetric modes and zero cross helicity to non-axisymmetric modes. This hybrid statistics predicts a large-scale quasistationary magnetic field due to broken ergodicity , as well as dipole vector alignment with the rotation axis, both of which are observed numerically. We find that only a relatively small value of effective cross helicity leads to the prediction of a dipole moment vector that is closely aligned (less than 10 degrees) with the rotation axis. We also discuss the effect of initial conditions, dissipation and grid size on the numerical simulations and statistical theory.

Shebalin, John V.↗
DOE OSTI2023

New linear stability parameter to describe low-β electromagnetic microinstabilities driven by passing electrons in axisymmetric toroidal geometry

In magnetic confinement fusion devices, the ratio of the plasma pressure to the magnetic field energy, β, can become sufficiently large that electromagnetic microinstabilities become unstable, driving turbulence that distorts or reconnects the equilibrium magnetic field. In this paper, a theory is proposed for electromagnetic, electron-driven linear instabilities that have current layers localised to mode-rational surfaces and binormal wavelengths comparable to the ion gyroradius. The model retains axisymmetric toroidal geometry with arbitrary shaping, and consists of orbit-averaged equations for the mode-rational surface layer, with a ballooning space kinetic matching condition for passing electrons. The matching condition connects the current layer to the large scale electromagnetic fluctuations, and is derived in the limit that β is comparable to the square root of the electron-to-ion-mass ratio. Electromagnetic fluctuations only enter through the matching condition, allowing for the identification of an effective β that includes the effects of equilibrium flux surface shaping. The scaling predictions made by the asymptotic theory are tested with comparisons to results from linear simulations of micro-tearing and electrostatic microinstabilities in MAST discharge #6252, showing excellent agreement. In particular, it is demonstrated that the effective β can explain the dependence of the local micro-tearing mode (MTM) growth rate on the ballooning parameter θ 0 – possibly providing a route to optimise local flux surfaces for reduced MTM-driven transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗