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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Applications of Strain-Coupled Magnetoelectric Composites

This article deals with research, development and future directions of magnetoelectric composites for practical devices applications. In the past 20 years there has been a surge of research in the area of multiferroics (MF) and magnetoelectrics (ME) due to their potential to replace existing technologies based only on ferroelectric or ferromagnetic materials. Some of the magnetoelectric composites show exceptionally high potential in the area of magnetic field sensors, however, work remains before commercialization can be realized. The cross coupling among various ferroic parameters in magnetoelectric composites is several orders higher than single phase magetoelectrics, which make its favorable for low detection (nT or pT) magnetic field sensors. Advances in both layered structures or controlled three-dimensional matrix composites for applications as magnetoelectric nonvolatile memory elements are both required. Robust cross-coupling among various parameters with more than four logic states and its compatibility with complementary-symmetry metal–oxide–semiconductor (CMOS) technology are the main requirements for heterostructure magnetoelectric thin films. The major hurdles in the area of magnetoelectric nonvolatile memory elements are poor interfacial properties and weak magnetoelectric coupling for high density fast read and write processes. Another potential area is strained coupled magneto-electric composites where magnetostriction mediated dimensional change in the magnetic layer effectively modulate the change in the dimension of piezoelectric layers via piezostriction, which leads to a strong ME coupling where their coupling magnitude is sufficient for magnetic field sensors. Energy harvesters based on magnetoelectric composites are also intriguing concepts to capture various types of waste energy, in the form mechanical vibration, pressure, wind energy, hydrothermal and waste temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multiscale computational understanding and growth of 2D materials: a review

Abstract The successful discovery and isolation of graphene in 2004, and the subsequent synthesis of layered semiconductors and heterostructures beyond graphene have led to the exploding field of two-dimensional (2D) materials that explore their growth, new atomic-scale physics, and potential device applications. This review aims to provide an overview of theoretical, computational, and machine learning methods and tools at multiple length and time scales, and discuss how they can be utilized to assist/guide the design and synthesis of 2D materials beyond graphene. We focus on three methods at different length and time scales as follows: (i) nanoscale atomistic simulations including density functional theory (DFT) calculations and molecular dynamics simulations employing empirical and reactive interatomic potentials; (ii) mesoscale methods such as phase-field method; and (iii) macroscale continuum approaches by coupling thermal and chemical transport equations. We discuss how machine learning can be combined with computation and experiments to understand the correlations between structures and properties of 2D materials, and to guide the discovery of new 2D materials. We will also provide an outlook for the applications of computational approaches to 2D materials synthesis and growth in general.

Momeni, Kasra↗
NASA NTRS2011

SA13B-1900 Auroral Charging of the International Space Station

Electrostatic potential variations of the International Space Station (ISS) relative to the space plasma environment are dominated by interaction of the negatively grounded 160 volt US photovoltaic power system with the plasma environment in sunlight and inductive potential variations across the ISS structure generated by motion of the vehicle across the Earth's magnetic field. Auroral charging is also a source of potential variations because the 51.6? orbital inclination of ISS takes the vehicle to sufficiently high magnetic latitudes to encounter precipitating electrons during geomagnetic storms. Analysis of auroral charging for small spacecraft or isolated insulating regions on ISS predict rapid charging to high potentials of hundreds of volts but it has been thought that the large capacitance of the entire ISS structure on the order of 0.01 F will limit frame potentials to less than a volt when exposed to auroral conditions. We present three candidate auroral charging events characterized by transient ISS structure potentials varying from approximately 2 to 17 volts. The events occur primarily at night when the solar arrays are unbiased and cannot therefore be due to solar array current collection. ISS potential decreases to more negative values during the events indicating electron current collection and the events are always observed at the highest latitudes along the ISS trajectory. Comparison of the events with integral >30 keV electron flux measurements from NOAA TIROS spacecraft demonstrate they occur within regions of precipitating electron flux at levels consistent with the energetic electron thresholds reported for onset of auroral charging of the DMSP and Freja satellites. In contrast to the DMSP and Freja events, one of the ISS charging events occur in sunlight.

Minow, Joseph I.↗
DOE OSTI2021

Quantum algorithms for open lattice field theory

Certain aspects of some unitary quantum systems are well described by evolution via a non-Hermitian effective Hamiltonian, as in the Wigner-Weisskopf theory for spontaneous decay. Conversely, any non-Hermitian Hamiltonian evolution can be accommodated in a corresponding unitary system + environment model via a generalization of Wigner-Weisskopf theory. This demonstrates the physical relevance of novel features such as exceptional points in quantum dynamics, and opens up avenues for studying many-body systems in the complex plane of coupling constants. In the case of lattice field theory, sparsity lends these channels the promise of efficient simulation on standardized quantum hardware. We thus consider quantum operations that correspond to Suzuki-Lie-Trotter approximation of lattice field theories undergoing nonunitary time evolution, with potential applicability to studies of spin or gauge models at finite chemical potential, with topological terms, to quantum phase transitions—a range of models with sign problems. We develop non-Hermitian quantum circuits and explore their promise on a benchmark, the quantum one-dimensional Ising model with complex longitudinal magnetic field, showing that observables can probe the Lee-Yang edge singularity. The development of attractors past critical points in the space of complex couplings indicates a potential for study on near-term noisy hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Available land for cellulosic biofuel production: a supply chain centered comparison

The land that is potentially available to produce dedicated cellulosic bioenergy crops, often referred to as 'marginal' land, depends heavily on the underlying assumptions used to classify and identify it. In this study we compare three definitions and types of marginal land to identify the interactions between the bioenergy landscape and the logistics networks needed for the biofuel supply chain. Typical studies of the scale, cost, and greenhouse gas (GHG) mitigation potential of cellulosic biofuel take a land-centered approach which may neglect to account for the trade-offs between establishing bioenergy crops and the supply chain design decisions needed to allow those crops to be converted to liquid fuel. A mathematical programming approach is used to minimize the total annualized cost of a large-scale field-to-product system producing bioethanol in the USA midwest. Results show that a high concentration of marginal land leads to efficient systems and that the bioenergy landscape design becomes increasingly important with a higher emphasis on GHG mitigation. Additionally, targeted landscape design (including fertilization) with a focus on fields with high soil carbon sequestration potential can greatly reduce the system-wide GHG emissions for only a small increase in the unit cost of biofuel.

09 BIOMASS FUELS↗
NASA NTRS1982

Generation of the auroral kilometric radiation

Data collected from the S3-3 spacecraft in the auroral kilometric radiation (AKR) source region are employed to form a stability theory from which numerical results are obtained and discussed. The distribution function was found to be isotropic outside the auroral atmospheric loss-cone region, which was partially filled with upcoming electrons. A parallel electric field was observed to be modifying the loss-cone distribution. A model distribution function is formulated, along with a magnetic field model expressed in terms of the electron cyclotron frequency. Models for the parallel electric field are also introduced, the first with the field distributed over a broad altitude range, while the second assumes a potential drop only above 4000 km. The presence of the field is found to enhance the growth rate of the AKR. At higher altitudes, the cutoff frequency of the X mode is affected by the rising energetic electrons. Finally, the folding distances of spatial amplification are calculated.

Wu, C. S.↗
NASA NTRS1987

Simulations of auroral plasma processes - Electric fields, waves and particles

Plasma processes driven by current sheets of finite thicknesses in an ambient magnetized plasma are studied using a 2 1/2 dimensional particle-in-cell code, and similarities are found between simulated plasma processes and those observed in the auroral plasma. Current sheets are shown to be bounded by large perpendicular electric fields occurring near their edges above the conducting boundary. Shaped potential structures form when the current sheets are narrow, and when the current sheets are wide, potential structures develop a significant parallel potential drop such that the electrons are accelerated upwards. Downward parallel electric fields of variable strength are noted in the downward current region, and double layer formation is seen in both narrow and wide current sheets. High frequency oscillations near the electron plasma frequency and its harmonic are seen, and low frequency waves are observed.

Singh, Nagendra↗
DOE OSTI2023

State of the Art of Molecular Visualization in Immersive Virtual Environments

Abstract Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with more advanced visualization and interaction techniques, others are challenging primarily due to the limitations of the hardware devices used to interact with the visualized content. Consequently, visualization researchers are increasingly trying to take advantage of new technologies to facilitate the work of domain scientists. Some typical problems associated with classic 2D interfaces, such as regular desktop computers, are a lack of natural spatial understanding and interaction, and a limited field of view. These problems could be solved by immersive virtual environments and corresponding hardware, such as virtual reality head‐mounted displays. Thus, researchers are investigating the potential of immersive virtual environments in the field of molecular visualization. There is already a body of work ranging from educational approaches to protein visualization to applications for collaborative drug design. This review focuses on molecular visualization in immersive virtual environments as a whole, aiming to cover this area comprehensively. We divide the existing papers into different groups based on their application areas, and types of tasks performed. Furthermore, we also include a list of available software tools. We conclude the report with a discussion of potential future research on molecular visualization in immersive environments.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2018

Clockwork Axions in Cosmology. Is Chromonatural Inflation Chrononatural?

Many cosmological models rely on large couplings of axions to gauge fields. Examples include theories of magnetogenesis, inflation on a steep potential, chiral gravitational waves, and chromonatural inflation. Such theories require a mismatch between the axion field range and the mass scale appearing in the aFF~ coupling. This mismatch suggests an underlying monodromy, with the axion winding around its fundamental period a large number of times. We investigate the extent to which this integer can be explained as a product of smaller integers in a UV completion: in the parlance of our times, can the theory be “clockworked”? We argue that a clockwork construction producing a potential μ4cos(ajFa) for an axion of fundamental period Fa will obey the constraint μ < Fa. For a some applications, including chromonatural inflation with sub-Planckian field range, this constraint obstructs a clockwork UV completion. Alternative routes to a large coupling include fields of large charge (an approach limited by strong coupling) or kinetic mixing (requiring a lighter axion). Our results suggest that completions of axion cosmologies that explain the large parameter in the theory potentially alter the phenomenological predictions of the model.

Cosmology of Theories beyond the SM↗
NASA NTRS2012

Exhaust Nozzle Plume Effects on Sonic Boom Test Results for Vectored Nozzles

Reducing or eliminating the operational restrictions of supersonic aircraft over populated areas has led to extensive research at NASA. Restrictions were due to the disturbance of the sonic boom, caused by the coalescence of shock waves formed off the aircraft. Recent work has been performed to reduce the magnitude of the sonic boom N-wave generated by airplane components with a focus on shock waves caused by the exhaust nozzle plume. Previous Computational Fluid Dynamics (CFD) analysis showed how the shock wave formed at the nozzle lip interacts with the nozzle boat-tail expansion wave. An experiment was conducted in the 1- by 1-foot Supersonic Wind Tunnel (SWT) at the NASA Glenn Research Center. Results show how the shock generated at the nozzle lip affects the near field pressure signature, and thereby the potential sonic boom contribution for a nozzle at vector angles from 3 to 8 . The experiment was based on the NASA F-15 nozzle used in the Lift and Nozzle Change Effects on Tail Shock experiment, which possessed a large external boat-tail angle. In this case, the large boat-tail angle caused a dramatic expansion, which dominated the near field pressure signature. The impact of nozzle vector angle and nozzle pressure ratio are summarized.

Castner, Raymond↗
NASA NTRS1984

Anomalously high potentials observed on ISEE

Data from the two electric field experiments and from the plasma composition experiment on ISEE-1 show that the spacecraft charged to close to -70 V in sunlight at about 0700 UT on March 17, 1978. Data from the electron spectrometer experiment show that there was a potential barrier of some -10 to -20 V about the spacecraft during this event. The potential barrier was effective in turning back emitted photoelectrons to the spacecraft. Potential barriers can be formed because of differential charging on the spacecraft or because of the presence of space charge. The stringent electrostatic cleanliness specifications imposed on ISEE make the presence of differential charging unlikely, if these precautions were effective. Modeling of this event is required to determine if the barrier was produced by the presence of space charge.

Whipple, E. C.↗
NASA NTRS1983

The treatment of convected vortices in compressible potential flow

A method is described for incorporating line vortices into the three dimensional compressible potential flow equation. A modified Biot-Savart law is used to compute a vortical velocity field, which is added to the gradient of the potential to form a total velocity. A rapidly converging approximate factorization (AFZ) scheme is then used to compute a potential such that the modified potential flow equation as well as the appropriate boundary conditions, based on total velocity, are satisfied. As part of a coupled iteration procedure, the positions of the line vortices are computed so that they convect with the total flow. The method is used to compute the field due to a single line vortex convecting past a wing. This represents an approximation of the effect of a canard or other lifting surface ahead of the wing, which sheds a tip vortex. It is seen that the flow field is substantially modified by the passage of the vortex. Unlike Euler equation schemes, which are also used to compute these flows, the solutions exhibit no numerical diffusion: The convected vortices retain their initial upstream width. Euler solutions, on the other hand, involve a vorticity which is numerically convected in an Eulerian frame and, unless extensive adaptive grid refinement is used they result in vortices with spread as they convect. Also, the potential flow method requires approximately two orders of magnitude less computing time and much less computer storage than the Euler methods.

Steinhoff, J.↗
DOE OSTI2024

Loss cone effects and monotonic sheath conditions of a partially magnetized plasma sheath

In this Letter, we propose the conditions for monotonic plasma sheaths adjacent to a floating wall in the presence of an applied, oblique magnetic field. The electron velocity distribution function (VDF) at the sheath edge obtained from a kinetic model exhibits a loss cone shaped truncation. Using an approximation of the truncated VDF, we derive an analytical framework of the sheath edge condition (i.e., Bohm condition), namely, the relation of ion injection velocity and sheath potential drop as a function of the magnetic field angle. The results show that the sheath edge velocity and total potential drop decrease for a steady-state sheath, which eventually collapses when the magnetic field lines become parallel to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

The prediction of transonic loading advancing helicopter rotors

Two different schemes are presented for including the effect of rotor wakes on the finite-difference prediction of rotor loads. The first formulation includes wake effects by means of a blade-surface inflow specification. This approach is sufficiently simple to permit coupling of a full-potential finite-difference rotor code to a comprehensive integral model for the rotor wake and blade motion. The coupling involves a transfer of appropriate loads and inflow data between the two computer codes. Results are compared with experimental data for two advancing rotor cases. The second rotor wake modeling scheme in this paper is a split potential formulation for computing unsteady blade-vortex interactions. Discrete vortex fields are introduced into a three-dimensional, conservative, full-potential rotor code. Computer predictions are compared with two experimental blade-vortex interaction cases.

Strawn, R.↗
NASA NTRS1986

The prediction of transonic loading on advancing helicopter rotors

Two different schemes are presented for including the effect of rotor wakes on the finie-difference prediction of rotor loads. The first formulation includes wake effects by means of a blade-surface inflow specification. This approach is sufficiently simple to permit coupling of a full-potential finite-difference rotor code to a comprehensive integral model for the rotor wake and blade motion. The coupling involves a transfer of appropriate loads and inflow data between the two computer codes. Results are compared with experimental data for two advancing rotor cases. The second rotor-wake modeling scheme is a split potential formulation for computing unsteady blade-vortex interactions. Discrete vortex fields are introduced into a three-dimensional, conservative, full-potential rotor code. Computer predictions are compared with two experimental blade-vortex interaction cases.

Strawn, R. C.↗
NASA NTRS1995

Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry

The equilibrium structures, harmonic vibrational frequencies, quadratic force fields, dipole moments, and IR intensities of several triatomic bromine compounds of known or potential importance in stratospheric ozone depletion chemistry have been determined using the CCSD(T) electron correlation method in conjunction with a basis set of triple zeta double polarized (TZ2P) quality. Specifically, the molecules included in the present study are HOBr, HBrO, FOBr, FBrO, BrNO, BrON, Br2O, BrBrO, BrCN, BrNC, ClOBr, ClBrO, and BrClO. Very accurate isomeric energy differences have also been determined at the CCSD(T) level with atomic natural orbital basis sets that include through g-type functions. In most cases, the isomer with a normal neutral Lewis dot structure is the lowest energy form, with the single exception that FBRO is predicted to be 11.1 kcal/mol (0 K) lower in energy than FOBr. In all cases, however, the hypervalent isomer is more stable relative to the isomer with a normal Lewis dot structure as compared to the chlorine analogs. Consistent with this observation, the energy of the last three molecules given above increases in the order ClOBr less than ClBrO less than BrClO. The CCSD(T)/TZ2P geometries and vibrational frequencies are in good agreement with the available experimental data. Heats of formation are determined for all species using a combination of theoretical isomeric, homodesmic, and isodesmic reaction energies. The accuracy of these quantities is ultimately dependent on the reliability of the experimental heat of formation of HOBr.

Lee. Timothy J.↗
NASA NTRS1995

Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry

The equilibrium structures, harmonic vibrational frequencies, quadratic force fields, dipole moments, and IR intensities of several triatomic bromine compounds of known or potential importance in stratospheric ozone depletion chemistry have been determined using the CCSD(T) electron correlation method in conjunction with a basis set of triple zeta double polarized (TZ2P) quality. Specifically, the molecules included in the present study are HOBr, HBrO, FOBr, FBrO, BrNO, BrON, Br2O, BrBrO, BrCN, BrNC, ClOBr, ClBrO, and BrClO. Very accurate isomeric energy differences have also been determined at the CCSD(T) level with atomic natural orbital basis sets that include through g-type functions. In most cases, the isomer with a normal neutral Lewis dot structure is the lowest energy form, with the single exception that FBrO is predicted to be 11.1 kcal/mol (0 K) lower in energy than FOBr. In all cases, however, the hypervalent isomer is more stable relative to the isomer with a normal Lewis dot structure as compared to the chlorine analogs. Consistent with this observation, the energy of the last three molecules given above increases in the order ClOBr less than ClBrO less than BrClO. The CCSD(T)/TZ2P geometries and vibrational frequencies are in good agreement with the available experimental data. Heats of formation are determined for all species using a combination of theoretical isomeric, homodesmic, and isodesmic reaction energies. The accuracy of these quantities is ultimately dependent on the reliability of the experimental heat of formation of HOBr.

Lee, Timothy J.↗
NASA NTRS1975

Effect of temperature-dependent electrical conductivity on transport processes in magnetosolidmechanics

The effect of temperature-dependent electrical conductivity on transport processes for a solid block is analyzed on the basis of a one-dimensional steady-state model under specified thermal boundary conditions. Assumptions are that the solid has an infinitely segmented electrode configuration, the magnetic field (By) may be resolved into a constant applied field and an induced field, the gradient of the electrochemical potential is equal to the electrostatic potential, a constant potential difference is applied externally across each pair of opposite electrodes, and all material properties except electrical conductivity are constant. Conductivity is expressed in normalized form in terms of a baseline conductivity and a constant for the material. The application of the assumptions of the model to the general phenomenological relations yields the governing equations. Solution of these equations gives the distribution of temperature, electric current density, and magnetic field strength along the length of the solid. It is shown that significant differences exist between the case for constant electrical conductivity and the case where electrical conductivity is temperature dependent.

Craig, G. T.↗