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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 1,189 records · Page 66

Berry curvature memory through electrically driven stacking transitions

In two-dimensional layered quantum materials, the interlayer stacking order determines both crystalline symmetry and quantum electronic properties such as Berry curvature, topology and electron correlation. Electrical stimuli can strongly influence quasi-particle interactions and the free energy landscape, thus making it possible to access hidden stacking orders with novel quantum properties and enabling dynamic engineering of these attributes. In this paper, we demonstrate electrically driven stacking transitions and a new type of nonvolatile memory based on Berry curvature in few-layer WTe 2 . The interplay of out-of-plane electric fields and electrostatic doping controls in-plane interlayer sliding and creates multiple polar and centrosymmetric stacking orders. In-situ nonlinear Hall transport reveals such stacking rearrangements result in a layer-parity-selective Berry curvature memory in momentum space, where the sign reversal of the Berry curvature only occurs in odd layer crystals. Our findings open an avenue towards exploring coupling between topology, electron correlations, and ferroelectricity in hidden stacking orders and demonstrate a new low energy cost, electrically-controlled topological memory in the atomically thin limit.

36 MATERIALS SCIENCE↗

Collisionless coupling in the AMPTE artificial comet

Analysis of previously reported observations of the solar wind-barium interaction associated with the AMPTE artificial comet release of Dec. 27, 1984, is presented. On the basis of these results it is argued that solar wind couples momentum (and energy) to the barium ions through both laminar and turbulent processes. The laminar forces acting on the particles are the laminar electric and magnetic fields; the turbulent forces are associated with the intense electrostatic wave activity. This wave activity is shown to be caused by a cross-field solar wind proton-barium ion streaming instability. The observed wave frequencies and saturated amplitudes are consistent with the theoretical analysis.

Papadopoulos, K.↗

Unveiling the Role of Surface Ir-Oxo Species in O 2 Evolution at IrO 2 Electrocatalysts via Embedded Cluster Multireference Calculations

Understanding the mechanisms driving the oxygen evolution reaction (OER) on iridium oxide (IrO 2 )-based catalysts is essential to improving their performance and enabling an actual scale-up of water-splitting photoelectrochemical cells. The mechanistic pathways at IrO 2 interfaces have been extensively investigated computationally using density functional theory (DFT), which predicts a high-energy barrier for the last step of the OER of molecular oxygen detachment and release from the catalyst surface. Nevertheless, surface O 2 over- and under-binding results by standard generalized gradient approximation and hybrid density functionals, respectively, call for further analysis of this crucial step via multireference methods. Aiming at unveiling the nature of such a barrier, we hereby address the formation of O 2 from the most-stable IrO 2 (110) surface with both periodic DFT and an electrostatic embedded cluster approach at the n-electron valence-state perturbation theory. With this multireference approach, we find a value for the aforementioned energy barrier that is much closer to experimental indications than DFT ones. Here, an in-depth analysis of the involved molecular orbitals suggests that the origin of this barrier is related to the breaking of a π interaction between O 2 and Ir surface atom and to a significant additional O 2 interaction with adjacent electrophilic Ir-oxo species, which is present under experimental operating conditions. Besides shedding light on the mechanism of the OER on IrO 2 , these findings point out the importance of multireference methods for dissecting complex reactions at electrocatalytic interfaces and pave the route for further investigations with effective embedding approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Super-resolution and signal separation in contact Kelvin probe force microscopy of electrochemically active ferroelectric materials

In this work, imaging mechanisms in contact Kelvin probe force microscopy (cKPFM) are explored via information theory-based methods. Gaussian processes are used to achieve super-resolution in the cKPFM signal, effectively extrapolating across the spatial and parameter space. Tensor factorization is applied to reduce the multidimensional signal to the tensor convolution of the scalar functions that show a clear trending behavior with the imaging parameters. These methods establish a workflow for the analysis of the multidimensional datasets that can then be related to the relevant physical mechanisms. We also provide an interactive Google Colab notebook that goes through all the analyses discussed in the paper.

36 MATERIALS SCIENCE↗

Barkas effect in strongly magnetized plasmas

Strongly magnetized plasmas, which are characterized by the particle gyrofrequency exceeding the plasma frequency, exhibit novel transport properties. For example, recent work showed that the friction force on a test charge moving through a strongly magnetized plasma not only consists of the typical stopping power component but also includes components perpendicular to the test charge's velocity. However, these studies only considered test charges that have the same sign as the charge of the plasma particles. Here, we extend these calculations to the case of charges with opposite signs (such as an ion interacting with strongly magnetized electrons). This is done with both a novel generalized Boltzmann kinetic theory and molecular dynamics simulations. It is found that the friction force changes dramatically depending on the sign of the interacting charges. Likewise, the stopping power component for oppositely charged particles decreases in magnitude compared with like-charged particles, and the perpendicular components increase in magnitude. Moreover, the difference between the two cases increases as the gyrofrequency becomes larger compared with the plasma frequency. Finally, the electrical resistivity is calculated from the friction force, where it is found that strong magnetization in conjunction with oppositely charged interactions significantly decreases the parallel resistivity and increases the perpendicular resistivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports

The interfacial electronic structure of various size-selected metal oxide nanoclusters (M 3 O x ; M = Mo, Nb, Ti) on Cu(111) and a thin film of Cu 2 O supports were investigated in this paper by a combination of experimental methods and density functional theory (DFT). These systems explore electron transfer at the metal–metal oxide interface which can modify surface structure, metal oxidation states, and catalytic activity. Electron transfer was probed by measurements of surface dipoles derived from coverage dependent work function measurements using two-photon photoemission (2PPE) and metal core level binding energy spectra from X-ray photoelectron spectroscopy (XPS). The measured surface dipoles are negative for all clusters on Cu(111) and Cu 2 O/Cu(111), but those on the Cu 2 O surface are much larger in magnitude. In addition, sub-stoichiometric or “reduced” clusters exhibit smaller surface dipoles on both the Cu(111) and Cu 2 O surfaces. Negative surface dipoles for clusters on Cu(111) suggest Cu → cluster electron transfer, which is generally supported by DFT-calculated Bader charge distributions. For Cu 2 O/Cu(111), calculations of the surface electrostatic potentials show that the charge distributions associated with cluster adsorption structures or distortions at the cluster–Cu 2 O–Cu(111) interface are largely responsible for the observed negative surface dipoles. Changes observed in the XPS spectra for the Mo 3d, Nb 3d, and Ti 2p core levels of the clusters on Cu(111) and Cu 2 O/Cu(111) are interpreted with help from the calculated Bader charges and cluster adsorption structures, the latter providing information about the presence of inequivalent cation sites. Finally, the results presented in this work illustrate how the combined use of different experimental probes along with theoretical calculations can result in a more realistic picture of cluster–support interactions and bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mitigating Band Tailing in Kesterite Solar Absorbers: Ab Initio Quantum Dynamics

Open-circuit voltage deficits are limiting factors in kesterite solar cells. Addressing this issue by suppressing band tailing and nonradiative charge recombination is essential for enhancing the performance. We employ ab initio nonadiabatic molecular dynamics to elucidate the origin of band tailing and charge losses and propose a mitigation strategy. The simulations show that Cu–Zn disorder, associated with antisite defect clusters [Cu Zn +Zn Cu ], is a significant source of band tailing in kesterites, as evidenced by the much larger Urbach energy in disordered than ordered kesterites. Cu–Zn disorder gives rise to new sulfur-centered coordination polyhedra, increases structural inhomogeneity, changes electrostatic potential at sulfur centers, and shifts the S(3p) orbital energy. Differences in the S(3p)/Cu(3d) and S(3p)/Sn(5s) hybridization strengths and the S(3p) orbital energy shift reduce the band gap by 0.37 eV. Furthermore, Cu–Zn disorder enhances vibrational motion of sulfur anions and surrounding cations, increasing band gap fluctuations by 15 meV. The stronger electron–phonon interactions reduce charge carrier lifetimes and limit the kesterite solar cell efficiency. Partial substitution of Zn with Cd facilitates structural ordering and significantly suppresses band tailing, particularly in disordered systems. The improvement can be attributed to the larger atomic radius and mass of Cd, which weakens bonding around the anion, suppresses S-related vibrations within the covalent tetrahedra, and reduces nonadiabatic coupling, thereby increasing charge carrier lifetimes. The reported results establish the key influence of cation disorder on band tailing and reduced charge carrier lifetimes in kesterites and highlight cation disorder engineering as a strategy to achieve high-efficiency kesterite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validity condition for the local sheath impedance boundary condition and a nonlocal generalization

ICRF sheaths can cause unwanted interactions of high-power RF waves with material surfaces in magnetic fusion devices. In previous work, a local RF sheath impedance boundary condition (BC) was derived for use in ICRF codes together with a microscale (i.e., Debye or sheath width scale) model for obtaining the sheath impedance used in that BC. This local RF sheath BC matches the normal component of current and electrostatic potential across the sheath-plasma interface. Collapsing the matching conditions at the sheath-plasma interface to a BC depends on the assumption of scale separation, which can be violated when conditions along the local radius of curvature of the surface vary sufficiently rapidly. The validity condition is explored in this contribution, with special attention to the case where the magnetic field approaches being tangent to the surface. When the local sheath BC no longer applies, a non-local sheath BC is developed under the assumption of a more relaxed scale separation assumption. It is shown that the non-local sheath BC reduces to the previous local sheath BC under appropriate conditions. Furthermore, a surface-integrated sheath admittance parameter describes the 2D physics in the new BC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Galileo dust detector

The Galileo Dust Detector is intended to provide direct observations of dust grains with masses between 10(sup -19) kg and 10(sup -9) kg in interplanetary space and in the Jovian system, to investigate their physical and dynamical properties as functions of the distances to the Sun, to Jupiter and to its satellites, to study its interaction with the Galilean satellites and the Jovian magnetosphere. Surface phenomena of the satellites (like albedo variations), which might be effects of meteoroid impacts will be compared with the dust environment. Electric charges of particulate matter in the magnetosphere and its consequences will be studied; e.g. the effects of the magnetic field on the trajectories of dust particles and fragmentation of particles due to electrostatic disruption. The investigation is performed with an instrument that measures the mass, speed, flight direction and electric charge of individual dust particles. It is a multi-coincidence detector with a mass sensitivity 10(sup 6) times higher than that of previous in-situ experiments which measured dust in the outer solar system. The instrument weighs 4.2 kg, consumes 2.4 W, and has a normal data transmission rate of 24 bits/s in nominal spacecraft tracking mode. On December 29, 1989 the instrument was switched-on. After the instrument had been configured to flight conditions cruise science data collection started immediately. In the period to May 18, 1990 at least 168 dust impacts have been recorded. For 81 of these dust grains, masses and impact speeds have been determined. First flux values are also given.

Gruen, E.↗

Electrostatic Discharge Testing of Carbon Composite Solar Array Panels for Use in the Jovian Environment

NASA is currently considering a mission to investigate the moons of Jupiter. When designing a spacecraft for this type of mission, there are a number of engineering challenges, especially if the mission chooses to utilize solar arrays to provide the spacecraft power. In order for solar arrays to be feasible for the mission, their total mass needed to fit within the total budget for the mission, which strongly suggested the use of carbon composite facesheets on an aluminum core for the panel structure. While these composite structures are a good functional substitution for the metallic materials they replace, they present unique challenges when interacting with the harsh Jovian space environment. As a composite material, they are composed of more than one material and can show different base properties depending in differing conditions. Looking at the electrical properties, in an Earth-based environment the carbon component of the composite dominates the response of the material to external stimulus. Under these conditions, the structures strongly resembles a conductor. In the Jovian environment, with temperatures reaching 50K and under the bombardment from energetic electrons, the non-conducting pre-preg binding materials may come to the forefront and change the perceived response. Before selecting solar arrays as the baseline power source for a mission to Jupiter, the response of the carbon composites to energetic electrons while held at cryogenic temperatures needed to be determined. A series of tests were devised to exam the response of a sample solar array panel composed of an M55J carbon weave layup with an RS-3 pre-preg binder. Test coupons were fabricated and exposed to electrons ranging from 10 keV to 100 keV, at 1 nA/cm2, while being held at cryogenic temperatures. While under electron bombardment, electrical discharges were observed and recorded with the majority of discharges occurring with electron energies of 25 keV. A decrease in temperature to liquid nitrogen temperatures showed a marked increase in the magnitude of these discharges. The results indicate that dielectric discharges are primarily produced due to the presence of large regions of the non-conductive pre-preg on the surface of the carbon sheets. The frequency and magnitude of discharges decreased when layers of the pre-preg material were removed from the composite surface. These tests indicate that solar array panels may be used in the Jovian environment, but that electrostatic discharges can be expected on the carbon composite solar arrays.

Jupiter↗

Expanding Configurational Complexity through Dipole Dilution in Pseudohalide Argyrodite Ion Conductors

The advantageous properties of (pseudo)halide argyrodite ion conductors of the formula Li 6 PS 5 X (X = Cl – , Br – , I – , CN – ) have motivated extensive studies of their structure-transport relationships, particularly as they pertain to the role of atomic site disorder. The argyrodite structure can accommodate additional configurational complexity to promote ion transport via extended three-anion site mixing and the potential for orientational disorder of molecular anions. In this work, we explore a ternary anion system including the cyanide anion, expanding site disorder and introducing dipolar orientations as an additional degree of freedom. We prepared the series Li 6 PS 5 (CN) 1–x Br x , in which the dipolar cyanide anions are systematically diluted with bromide. We find that anion disorder, as determined by synchrotron and neutron diffraction and quantified by configurational entropy (S config ), is correlated with lowered activation barriers and increased lithium ion conductivity. We propose that S config describes the electrostatic heterogeneity of the Li environments, flattening the energetic landscape for ion transport. While anion substitution strongly impacts the activation barrier for transport, the temperature-independent Arrhenius prefactor does not follow the same trend. Through heat-capacity measurements of attempt frequency and deconvolution of terms within the prefactor, we rationalize the apparent decoupling of activation energy and prefactor to strong cyanide-lithium interactions that increase the entropy of migration. Together, these results expand the structure–property relationships in the argyrodite family to encompass multiple facets of disorder and the subsequent impact on lithium ion transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electromagnetic interference assessment of an ion drive electric propulsion system

The electromagnetic interference (EMI) form elements of an ion drive electric propulsion system was analyzed, and the effects of EMI interaction with a typical interplanetary spacecraft engineering and scientific subsystems were predicted. SEMCAP, a computerized electromagnetic compatibility assessment code, was used to analyze the impact of EMI noise sources on 65 engineering/telemetry circuits and 48 plasma wave and planetary radio astronomy channels measuring over the range of 100 Hz to 40 MHz in a spacecraft of the Voyager type; manual methods were used to evaluate electrostatics, magnetics, and communications effects. Results indicate that some conducted and radiated spectra are in excess of electromagnetic compatibility specification limits; direct design changes may be required for filtering and shielding of thrust system elements. The worst source of broadband radiated noise appears to be the power processor. The magnetic field necessary to thruster operation is equivalent to about 18 amp-sq m per amp of beam current at right angles to the axis caused by the neutralizer/plume loop.

Whittlesey, A. C.↗

Pressure Dependence of Insulator-Insulator Contact Charging

The mechanism of insulator-insulator triboelectric (contact) charging is being studied by the Electrostatics and Surface Physics Laboratory at KSC. The hypothesis that surface ion exchange is the primary mechanism is being tested experimentally. A two-phase model based on a small partial pressure of singly charged ions in an ambient ideal gas in equilibrium with a submonolayer adsorbed film will provide predictions about charging as a function Of ion mass, pressure, temperature, and surface adsorption energy. Interactions between ions will be considered in terms of coulombic and screened potential energies. This work is yielding better understanding of the triboelectrification of insulators, which is an important problem in. space exploration technology. The work is also relevant to important industrial processes such as xerography and the application of paints and coatings. Determining a better understanding of the fundamental mechanism of insulator-insulator triboelectrification will hopefully lead to better means of eliminating or at least mitigating its hazards and enhancing its useful applications.

Hogue, Michael D.↗

An Analytic Model for Estimating the First Contact Resistance Needed to Avoid Damaging ESD During Spacecraft Docking in GEO

NASA’s Gateway program is to involve spacecraft (s/c) docking in the outer radiation belt in order to transfer Gateway elements between s/c for transport to lunar orbit. The charging of these s/c to different potentials prior to docking raises the possibility of a damaging electrostatic discharge (ESD) at the time of first contact between the s/c. A proposed mitigation strategy is for first contact to occur prior to docking through a resistor with resistance R that would lower the potential difference at an optimal rate to a sufficiently low value to prevent a damaging ESD. The coupling of s/c by a resistor can be modeled by SPIS (Spacecraft Plasma Interaction System), but for realistic two s/c models SPIS can take hours to simulate the evolution of the s/c surface charges and potentials to an equilibrium state. Our objective is to develop a simpler model of s/c resistive coupling that runs orders of magnitude faster while providing useful first design estimates of the time variation of the s/c potentials, current through the resistor, and how these vary with R and s/c configuration. This configuration is defined by the relative separation and orientation of the s/c, and their solar illumination. The configuration and geometry of the s/c determine their capacitive coupling. The s/c capacitances are computed using Nascap-2K. This abstract and the associated poster describe the first version of such a model, and initial tests.

Goodman, Michael L.↗

New electric force and charge exchange modules in discrete element model enables particle dynamics simulation in electric field

Discrete element modeling (DEM) is an important technique for particle dynamics simulation. The field of metal additive manufacturing often utilizes DEM to simulate the rheological behaviors of powder. Standard contact and short-range interactions are sufficient in most cases but insufficient to describe the particle dynamics with the influence of an electric field. Modeling such a system requires additional physics to describe the particle–field interactions. The relevant physics has been experimentally understood but is not yet available in DEM. Here, we develop a charge exchange and an electric force module. The electric force module governs particle response to the electric field, while the charge exchange module enables particles to acquire proper charge during contact with charged geometries. We validate the modules against analytical calculations and high-speed videos of electrostatic powder deposition experiments. Notably, the model struggles to capture the initial particle levitation. We later deploy a modified electric field, as supported by static electric field simulation, to better approximate the electric field penetration into the powder layer. This modification improves the model’s capability of simulating realistic particle levitation. The results highlight the challenges of modeling particle behaviors in the electric field while demonstrating the feasibility of obtaining quantitative results, which are difficult to measure experimentally.

charge exchange↗

LOKI

LOKI is a simulation code that models weakly-coupled plasma evolution using Eulerian kinetic models in four phase space dimensions. The code is useful to understand basic plasma nonlinear plasma physics phenomena - in particular, wave-particle and wave-wave resonances that occur in laser plasma interactions. LOKI can simulate fundamental physical process in low-density plasmas on a scale of hundreds of light wavelengths. It does so by solving the relativistic Vlasov and Valsov-Fokker-Planck differential transport equations describing the collision less and low-collisionality evolution of charged particles in electromagnetic fields in two configuration space and two velocity space dimensions. Two principle electromagnetic models are provided: electrostatic (Poisson's Equation) and electromagnetic (Maxwell's equations).

DIMITS, ANDRIS↗

Reduction and analysis of data from the plasma wave instruments on the IMP-6 and IMP-8 spacecraft

The primary data reduction effort during the reporting period was to process summary plots of the IMP 8 plasma wave data and to submit these data to the National Space Science Data Center. Features of the electrostatic noise are compared with simultaneous observations of the magnetic field, plasma and energetic electrons. Spectral characteristics of the noise and the results of this comparison both suggest that in its high frequency part at least the noise does not belong to normal modes of plasma waves but represents either quasi-thermal noise in the non-Maxwellian plasma or artificial noise generated by spacecraft interaction with the medium.

Gurnett, D. A.↗

Lower hybrid drift instability at the inner edge of the ring current

Excitation of electrostatic waves around and above the lower hybrid frequency at the inner edge of the ring current is investigated. The model consists of cold plasmaspheric ions; hot, dilute, inhomogeneous ring current ions; and cold charge neutralizing electrons. It is shown that in the presence of a sufficiently large density gradient the coupling of the lower hybrid with the drift cyclotron harmonic mode destabilizes the plasma. Unstable interactions also occur at higher cyclotron harmonics when the lower hybrid is replaced by an ion Bernstein mode. Additional power at frequencies above the lower hybrid frequency is attributed to the thermal enhancement by the hot ring current ions, which increases with their density gradient. Particle simulations are conducted, and comparison to AMPTE data is discussed.

Roth, I.↗