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At least 73 records · Page 4

Lattice vacancy migration barriers in Fe-Ni alloys, and an indication as to why Ni atoms diffuse slowly: A first-principles study

Lattice vacancy migration barriers in ferromagnetic Fe 𝑥 ⁢Ni 1−𝑥 alloys (0.4 ≤ 𝑥 ≤ 0.6) are accurately quantified within the framework of ab initio electronic structure calculations using the nudged elastic band (NEB) method. Both the atomically disordered (A1) fcc phase, as well as the atomically ordered, tetragonal L⁢1 0 phase—which is under consideration as a material for a rare-earth-free gap magnet for advanced engineering applications—are investigated. Across an ensemble of NEB calculations performed on supercell configurations spanning a range of compositions and containing disordered, partially ordered, and fully ordered structures, we find that Ni-vacancy interchanges encounter significantly higher energetic barriers than do Fe-vacancy interchanges. We contend that this aspect is a key factor in determining the differences in mobility between Fe and Ni atoms in this ferromagnetic alloy. Moreover, we are able to interpret these findings in terms of the ferromagnetic alloy's underlying spin-polarized electronic structure. Specifically, we report a coupling between the size of local lattice distortions and the magnitude of the local electronic spin polarization around vacancies. This causes Fe atoms to relax into lattice vacancies, while Ni atoms remain rigidly fixed to their original lattice positions. These results give atomic-scale insight into the longstanding experimental observation that Ni exhibits remarkably slow atomic diffusion in Fe-Ni alloys.

density functional theory

The downshift of electron plasma oscillations in the electron foreshock region

Electron plasma oscillations in the earth's electron foreshock region are observed to shift above and below the local electron plasma frequency. As plasma oscillations shift downward from the plasma frequency, their bandwidth increases and their wavelength decreases. Observations of plasma oscillations well below the plasma frequency are correlated with times when ISEE 1 is far downstream of the electron foreshock boundary. Although wavelengths of plasma oscillations below the plasma frequency satisfy k x lambda-De approximately 1 the Doppler shift due to the motion of the solar wind is not sufficient to produce the observed frequency shifts. A beam-plasma interaction with beam velocities on the order of the electron thermal velocity is suggested as an explanation for plasma oscillations above and below the plasma frequency. Frequency, bandwidth, and wavelength changes predicted from the beam-plasma interaction are in good agreement with the observed characteristics of plasma oscillations in the foreshock region.

Fuselier, S. A.

Optical observations of the beam-plasma discharge phenomenon

Spectroscopic observations of optical emissions from the beam-plasma discharge (BPD) phenomenon were made with NASA's vacuum chamber facility, at the Johnson Space Center, configured to simulate the physical conditions of magnetospheric electron beam injection into the ionospheric/upper-atmospheric environment. Nonlinear N2 and N2(+) optical emission growth rates (with respect to incremental electron beam current values) were observed from the chamber gas during transition to the BPD state. For electron-beam currents (I) near the BPD transition value (I(sub c)), the band emissions from the chamber gas produced by relatively low energy (less than or equal to 50 eV) electrons interacting with N2 were anomalously more intense than those requiring higher energy (greater than 100 eV) electrons to excite them. For I more greater than I(sub c), the optical emissions increased linearly with I (as was the case for I less than I(sub c)) and their ratios decreased significantly from the peak values attained when I approximately equals I(sub c). These observations suggest that during BPD some of the energy of the primary electron beam is efficiently transferred, via wave-particle interactions, to local electrons produced through ionization of the chamber gas; the resulting suprathermal electrons provide an additional source of excitation for the relatively low energy states (A, B and C) of N2. Such nonlinear excitation of upper atmospheric gas may occur in certain auroral events wherein the current due to the precipitating electrons approaches a value close to I(sub c).

Sivjee, G. G.

Charged Defects in UO 2 Bulk and Surface: A First-Principles Study

Uranium dioxide (UO 2 ) is the primary fuel used in nuclear reactors. Under the extreme heat and radiation inside a reactor, this material inevitably develops defects in its crystal structure. To investigate the nature and behavior of these defects, DFT+U calculations were employed to investigate charged point defects in both bulk UO 2 and its most stable surface, the (111) plane. The formation of defects and their impact on the electronic structure were systematically examined. The results reveal that these defects introduce localized electronic states, alter magnetic behavior, and modify the structural properties. In general, such defects act as deep traps capable of capturing and retaining charge carriers. The stability of these defects depends strongly on the chemical environment and the position of the Fermi level. Surface defect calculations reveal that oxygen vacancies form more readily at the surface than in the bulk over a wide range of electron chemical potential, with subsurface oxygen vacancies being more stable than those in the top layer. Overall, the findings demonstrate how charged defects influence magnetism, transport, and stability in UO 2 , providing insights that may guide improvements in the safety and efficiency of nuclear fuel.

36 MATERIALS SCIENCE

Tailoring Interlayer Coupling in Few-Layer MoS 2 with Stacking Configuration

Here we manipulated the stacking configuration of a few-layer MoS 2 to investigate the impact of interlayer coupling on electrical band engineering. By simultaneously synthesizing two distinct stacking types of MoS2 islands, wedding cake (W) and spiral (S), on the same substrate, we explored layer-dependent electrical properties under identical experimental conditions. We used multiple scanning probe microscopy techniques to map local electronic properties with respect to the number of layers, stacking configurations, and local heterogeneities. First-principles calculations verified the role of distinct interlayer coupling in terms of the interlayer distance. Our findings highlight the critical role of interlayer coupling in applications of transition metal dichalcogenides.

36 MATERIALS SCIENCE

Plasma waves associated with the AMPTE artificial comet

Numerous plasma wave effects were detected by the AMPTE/IRM spacecraft during the artificial comet experiment on December 27, 1984. As the barium ion cloud produced by the explosion expanded over the spacecraft, emissions at the electron plasma frequency and ion plasma frequency provided a determination of the local electron density. The electron density in the diamagnetic cavity produced by the ion cloud reached a peak of more than 5 x 10 to the 5th per cu cm, then decayed smoothly as the cloud expanded, varying approximately as t exp-2. As the cloud began to move due to interactions with the solar wind, a region of compressed plasma was encountered on the upstream side of the diamagnetic cavity. The peak electron density in the compression region was about 1.5 x 10 to the 4th per cu cm. Later, a very intense (140 mVolt/m) broadband burst of electrostatic noise was encountered on the sunward side of the compression region. This noise has characteristics very similar to noise observed in the earth's bow shock, and is believed to be a shocklike interaction produced by an ion beam-plasma instability between the nearly stationary barium ions and the streaming solar wind protons.

Gurnett, D. A.

Anode power deposition in a MPD thruster with a magnetically annulled Hall parameter anode

Results from previous studies indicate that the anode fall increases monotonically with the electron Hall parameter. In an attempt to reduce the anode fall by decreasing the local electron Hall parameter, a proof-of-concept test was performed in which an array of 36 permanent magnets were imbedded within the anode of a high power quasi-steady MPD thruster to decrease the local azimuthal component of the induced magnetic field. The modified thruster was operated at power levels between 150 kW and 4 MW with Ar and He propellants. Terminal voltage, triple probe, floating probe, and magnetic probe measurements were made to characterize the performance of the thruster with new anode. Incorporation of the modified anode resulted in a reduction of the anode fall by up to 15 V with Ar and 20 V with He, which corresponded to decreased anode power fractions of 40 and 45 percent with Ar and He, respectively.

Gallimore, Alec D.

MMS Observations of Electrostatic Waves in an Oblique Shock Crossing

High-resolution particle and wave measurements taken during an oblique bow shock crossing by the Magnetospheric Multiscale (MMS) mission are analyzed. Two regions of differing magnetic behavior are identified within the shock, one with active magnetic fluctuations and one with laminar interplanetary magnetic field topology. A prominent reflected ion population is observed in both regions. The active magnetic region is characterized by large-amplitude (>100 mV/m) electrostatic solitary waves, electron Bernstein waves, and ion acoustic waves, along with intermittent current activity and localized electron heating. In the region of laminar magnetic field, ion acoustic waves are prominently observed. Solar wind ion deceleration is observed in both regions of active and laminar magnetic field. All observations suggest that solar wind deceleration can occur as a result of multiple independent processes, in this case current and ion-ion instabilities.

Goodrich, Katherine A.

Maven Observations of Electron-Induced Whistler Mode Waves in the Martian Magnetosphere

We report on narrowband electromagnetic waves at frequencies between the local electron cyclotron and lower hybrid frequencies observed by the Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft in the Martian induced magnetosphere. The peaked electric field wave spectra below the electron cyclotron frequency were first observed by Phobos-2 in the Martian magnetosphere, but the lack of magnetic field wave data prevented definitive identification of the wave mode and their generation mechanisms remain unclear. Analysis of electric and magnetic field wave spectra obtained by MAVEN demonstrates that the observed narrowband waves have properties consistent with the whistler mode. Linear growth rates computed from the measured electron velocity distributions suggest that these whistler mode waves can be generated by cyclotron resonance with anisotropic electrons. Large electron anisotropy in the Martian magnetosphere is caused by absorption of parallel electrons by the collisional atmosphere. The narrowband whistler mode waves and anisotropic electrons are observed on both open and closed field lines and have similar spatial distributions in MSO and planetary coordinates. Some of the waves on closed field lines exhibit complex frequency-time structures such as discrete elements of rising tones and two bands above and below half the electron cyclotron frequency. These MAVEN observations indicate that whistler mode waves driven by anisotropic electrons, which are commonly observed in intrinsic magnetospheres and at unmagnetized airless bodies, are also present at Mars. The wave-induced electron precipitation into the Martian atmosphere should be evaluated in future studies.

martian

Program For Local-Area-Network Electronic Mail

MailRoom is computer program for local-area network (LAN) electronic mail. Enables users of LAN to exchange electronically notes, letters, reminders, or any sort of communication via their computers. Links all users of LAN into communication circle in which messages created, sent, copied, printed, downloaded, uploaded, and deleted through series of menu-driven screens. Includes feature that enables users to determine whether messages sent have been read by receivers. Written in Microsoft QuickBasic.

Weiner, Michael J.

Magnetospheric electron density measurements from upper hybrid resonance noise observed by IMP-6

A band of natural radio noise between the local electron plasma frequency and the upper hybrid resonance frequency is observed by the IMP-6 satellite. The band exists over a large range of geocentric radial distances extending from inside the plasmapause boundary to greater than 10 earth radii in the outer magnetosphere. The center frequency of the noise band decreases with increasing radial distance, and changes abruptly at the plasmapause boundary. The broadband electric field strength of this noise is very small, seldom exceeding 10 microvolts/meter, and probably could not be detected without using long electric antennas of IMP-6. It is believed that this noise is produced by incoherent Cerenkov emission from super-thermal electrons. In some cases a second very narrow noise band was observed at a frequency slightly above the second harmonic of the electron gyrofrequency.

Shaw, R. R.

A Transport Model for Non-Local Heating of Electrons in ICP Reactors

A new model has been developed for non-local heating of electrons in ICP reactors, based on a hydrodynamic approach. The model has been derived using the electron momentum conservation in azimuthal direction with electromagnetic and frictional forces respectively as driving force and damper of harmonic oscillatory motion of electrons. The resulting transport equations include the convection of azimuthal electron momentum in radial and axial directions, thereby accounting for the non-local effects. The azimuthal velocity of electrons and the resulting electrical current are coupled to the Maxwell's relations, thus forming a self-consistent model for non-local heating. This model is being implemented along with a set of Navier-Stokes equations for plasma dynamics and gas flow to simulate low-pressure (few mTorr's) ICP discharges. Characteristics of nitrogen plasma in a TCP 300mm etch reactor is being studied. The results will be compared against the available Langmuir probe measurements.

Chang, C. H.

The structure of the Jovian magnetotail from plasma wave observations

Plasma wave measurements from the outbound passes of Voyager 1 and 2 are used to study the plasma density and structure of the Jovian magnetotail. Two principal types of plasma waves are observed in the magnetotail, continuum radiation and narrowband emissions near the electron gyrofrequency. The low frequency cutoff of the continuum radiation can be used to determine the local electron density. Profiles of the electron density from the outbound passes of Voyager 1 and 2 provide evidence of a broad region of nearly uniform plasma density between the magnetopause and the inner corotating portion of the magnetosphere. We refer to this region as the boundary layer. Comparisons are made with other experimental and theoretical evidence for the existence of such a boundary layer inside the Jovian magnetosphere.

Gurnett, D. A.

Development and design of three monitoring instruments for spacecraft charging

A set of instruments which provide early detection of potentially dangerous geomagnetic substorm conditions and monitor the spacecraft response are discussed. The set consists of a sensor that measures the characteristic energy of collected electrons or ions from + 100 to - 20,000 V, a logarithmic current density sensor that measures local electron flux and a transient events counter that counts the spurious pulses from electrostatic discharges that couple into the spacecraft wiring harness. Design details and performance characteristics of the three instruments are given. Size, weight, and power requirements are minimized.

Sturman, J. C.

Generation of Z mode radiation by diffuse auroral electron precipitation

The generation of Z mode waves by diffuse auroral electron precipitation is investigated assuming that a loss cone exists in the upgoing portion of the distribution due to electron interactions with the atmosphere. The waves are generated at frequencies above, but very near, the local electron cyclotron frequency omega(e) and at wave normal angles larger than 90 deg. In agreement with Hewitt et al. (1983), the group velocity is directed downward in regions where the ratio of the upper hybrid frequency omega(pe) to Omega(e) is less than 0.5, so that Z mode waves excited above a satellite propagate toward it and away from the upper hybrid resonance. Z mode waves are excited in a frequency band between Omega(e) and about 1.02 Omega(e), and with maximum growth rates of about 0.001 Omega(e). The amplification length is about 100 km, which allows Z mode waves to grow to the intensities observed by high-altitude satellites.

Dusenbery, P. B.

Phase Coupling in Langmuir Wave Packets: Evidence for Four Wave Interactions in Solar Type III Radio Bursts

The four wave interaction process, known as the oscillating two stream instability (OTSI) is considered as one of the mechanisms responsible for stabilizing the electron beams associated with solar type III radio bursts. It has been reported that (1) an intense localized Langmuir wave packet associated with a type III burst contains the spectral characteristics of the OTSI: (a) a resonant peak at the local electron plasma frequency, f(sub pe), (b) a Stokes peak at a frequency slightly lower than f(sub pe), (c) anti-Stokes peak at a frequency slightly higher than f(sub pe), and (d) a low frequency enhancement below a few hundred Hz, (2) the frequencies and wave numbers of these spectral components satisfy the resonance conditions of the OTSI, and (3) the peak intensity of the wave packet is well above the thresholds for the OTSI as well as spatial collapse of envelope solitons. Here, for the first time, applying the trispectral analysis on this wave packet, we show that the tricoherence, which measures the degree of coherent four-wave coupling amongst the observed spectral components exhibits a peak. This provides an additional evidence for the OTSI and related spatial collapse of Langmuir envelope solitons in type III burst sources.

Thejappa, G.

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering

Proton-transfer processes build the foundation of many chemical processes. In Excited State Intramolecular Proton Transfer (ESIPT) processes the proton transfer process is impulsively started through light. Here, in this study, we explore the changes in coupled atomic and electronic motions during and following ESIPT through computational time-resolved Resonant Inelastic X-ray Scattering (trRIXS). Excited-state Ab Initio Molecular Dynamics (AIMD) simulations combined with Time-Dependent Density Functional Theory (TDDFT) calculations were performed for 10-hydroxybenzo[h]quinoline to obtain trRIXS signatures. RIXS at both the nitrogen and oxygen K-edges were computed to resolve the dynamics electronic structure from both the proton donor and acceptor perspective. The results show how RIXS can reveal the local electronic structure, the coupling between different electronic states and how electronic structure and coupling change during the proton transfer process. Additionally, we observe a strong correlation between spectral changes and structural changes during ESIPT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH