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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Electrostatically driven pattern formation in mixed charged–neutral multicomponent elastic membranes

Multicomponent crystalline and amorphous elastic shells exhibit heterogeneous surface patterns that provide distinctive functionalities in cellular environments. Such patterning typically arises from the competition between short-range attractive and long-range repulsive interactions in membranes. Here, we demonstrate that the intrinsic competition between electrostatic repulsion and elastic deformation is sufficient to drive spontaneous surface patterning in elastic shells, requiring no additional attractive interactions. Using numerical simulations, we demonstrate pattern formation in mechanically homogeneous membranes with heterogeneous surface charge composition across different topologies, including spheres, discs, and flat periodic membranes. We also examine patterns in crystalline and amorphous shells of coassembled charged and neutral components with different bending rigidities. At low charge fraction, discrete charged surface domains form. At intermediate charge fraction, the competition between electrostatics and elasticity leads to elongated domains (rods) of the charged component, which results in lamellar patterns at nearly equal fraction of the charged and neutral components. At high charge fraction, nanodomains of the neutral component form. Amorphous shells exhibit similar progressions but with disordered structures rather than ordered lamellar patterns. These pattern morphologies are observed in both the closed shells and flat membranes. As salt concentration increases, all patterns coarsen due to the screening of electrostatic interactions.

charge heterogeneity↗
DOE OSTI2022

Electric field driven assembly of ordered nanocrystal superlattices

An electric field drives nanocrystals dispersed in solvents to assemble into ordered three-dimensional superlattices. A first electrode and a second electrode 214 are in the vessel. The electrodes face each other. A fluid containing charged nanocrystals fills the vessel between the electrodes. The electrodes are connected to a voltage supply which produces an electrical field between the electrodes. The nanocrystals will migrate toward one of the electrodes and accumulate on the electrode producing ordered nanocrystal accumulation that will provide a superlattice thin film, isolated superlattice islands, or coalesced superlattice islands.

Yu, Yixuan↗
DOE OSTI2022

A hybrid nodal-staggered pseudo-spectral electromagnetic particle-in-cell method with finite-order centering

Electromagnetic particle-in-cell (PIC) codes are widely used to perform computer simulations of a variety of physical systems, including fusion plasmas, astrophysical plasmas, plasma wakefield particle accelerators, and secondary photon sources driven by ultra-intense lasers. In a PIC code, Maxwell's equations are solved on a grid with a numerical method of choice. This article focuses on pseudo-spectral analytical time-domain (PSATD) algorithms and presents a novel hybrid PSATD PIC scheme that combines the respective advantages of standard nodal and staggered methods. The novelty of the hybrid scheme consists in using finite-order centering of grid quantities between nodal and staggered grids, in order to combine the solution of Maxwell's equations on a staggered grid with the deposition of charges and currents and the gathering of electromagnetic forces on a nodal grid. The correctness and performance of the novel hybrid scheme are assessed by means of numerical tests that employ different classes of PSATD equations in a variety of physical scenarios, ranging from the modeling of electron-positron pair creation in vacuum to the simulation of laser-driven and particle beam-driven plasma wakefield acceleration. It is shown that the novel hybrid scheme offers significant numerical and computational advantages, compared to purely nodal or staggered methods, for all the test cases presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1982

Chemical bonding and charge redistribution - Valence band and core level correlations for the Ni/Si, Pd/Si, and Pt/Si systems

Via a systematic study of the correlation between the core and valence level X-ray photoemission spectra, the nature of the chemical bonding and charge redistribution for bulk transition metal silicides has been examined. Particular emphasis is placed on Pt2Si and PtSi. It is observed that the strength of the metal (d)-silicon (p) interaction increases in the order Ni2Si, Pd2Si, Pt2Si. It is also observed that both the metal and silicon core lines shift to higher binding energy as the silicides are formed. The notion of charge redistribution for metallic bonds is invoked to explain these data.

Grunthaner, P. J.↗
NASA NTRS1981

Modification of spacecraft potentials by thermal electron emission on ATS-5

Electron emission experiments on Applied Technology Satellite 5 using a thermal electron emitter are reported and analyzed. Operations in eclipse charging environments showed that electron emission could partially discharge a negatively charged satellite. Typical operations resulted in kilovolt potentials being reduced to hundreds of volts for a few tens of seconds, followed by a gradual recharging over a period of minutes. Equilibrium currents were modeled with a one-dimensional current balance model. Currents on the order of 1 microampere were found, significantly below emitter capabilities. Application of a three-dimensional, time-dependent computer model showed that differential charging on the solar arrays was limiting the emitted current, preventing the complete discharge of the satellite, and allowing it to recharge in spite of the electron emitter.

Olsen, R. C.↗
DOE OSTI2021

Leptonic anomalous magnetic moments in ν SMEFT

We investigate contributions to the anomalous magnetic moments of charged leptons in the neutrino-extended Standard Model Effective Field Theory (νSMEFT). We discuss how νSMEFT operators can contribute to a lepton’s magnetic moment at one- and two-loop order. We show that only one operator can account for existing electronic and muonic discrepancies, assuming new physics appears above 1 TeV. In particular, we find that a right-handed charged current in combination with minimal sterile-active mixing can explain the discrepancy for sterile neutrino masses of $\mathcal{O}$(100) GeV while avoiding direct and indirect constraints. We discuss how searches for sterile neutrino production at the (HL-)LHC, measurements of h → μ + μ - and searches for h → e + e - , neutrinoless double beta decay experiments, and improved unitarity tests of the CKM matrix can further probe the relevant parameter space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Experimental confirmation of the magnetic ordering transition induced by an electronic structure change in the metallic triangular antiferromagnet Co 1/3⁢ TaS 2

We report angle-resolved photoemission spectroscopy (ARPES) studies combined with DFT+DMFT calculations to confirm that the magnetic ordering vector transition from Q=(1/2,0,0) to Q=(1/3,0,0) in the metallic triangular antiferromagnets Co 1/3±𝜀⁢ TaS 2 (𝜀 ≈ 0.007) is induced by the electronic structure change in the system. The ARPES-measured Fermi surface (FS) maps of Co 0.325 ⁢TaS 2 show two hexagonal and one circular holelike FSs around Γ, which matches well with the triple- Q state by taking into account the contribution of nesting vectors occurring between Co 3⁢𝑑 and Ta 5⁢𝑑 orbitals. In the case of Co 0.340 ⁢TaS 2 , a new electron pocket around K appears, and the FS geometry changes as a result of the correlation effect of Co 4 ⁢S 18 tripods forming in the system. The magnetic susceptibility calculations based on the charge-self-consistent DFT+DMFT band structures and the random phase approximation indicate that the most stable magnetic ordering vector (1/2,0,0) split into (1/6,0,0) and (1/2,0,0), which is consistent with the magnetic phase transition around 𝑥=1/3 in Co 𝑥 ⁢TaS 2 .

Fermi surface↗
NASA NTRS1991

Long-term prediction test procedure for most ICs, based on linear response theory

Experimentally, thermal annealing is known to be a factor which enables a number of different integrated circuits (IC's) to recover their operating characteristics after suffering radiation damage in the space radiation environment; thus, decreasing and limiting long term cumulative total-dose effects. This annealing is also known to be accelerated at elevated temperatures both during and after irradiation. Linear response theory (LRT) was applied, and a linear response function (LRF) to predict the radiation/annealing response of sensitive parameters of IC's for long term (several months or years) exposure to the space radiation environment were constructed. Compressing the annealing process from several years in orbit to just a few hours or days in the laboratory is achieved by subjecting the IC to elevated temperatures or by increasing the typical spaceflight dose rate by several orders of magnitude for simultaneous radiation/annealing only. The accomplishments are as follows: (1) the test procedure to make predictions of the radiation response was developed; (2) the calculation of the shift in the threshold potential due to the charge distribution in the oxide was written; (3) electron tunneling processes from the bulk Si to the oxide region in an MOS IC were estimated; (4) in order to connect the experimental annealing data to the theoretical model, constants of the model of the basic annealing process were established; (5) experimental data obtained at elevated temperatures were analyzed; (6) time compression and reliability of predictions for the long term region were shown; (7) a method to compress test time and to make predictions of response for the nonlinear region was proposed; and (8) nonlinearity of the LRF with respect to log(t) was calculated theoretically from a model.

Litovchenko, V.↗
DOE OSTI2025

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part I: Model Formulation

Here, this paper formulates a new particle-in-cell method for the Vlasov–Maxwell system. Under the Lorenz gauge condition, Maxwell’s equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The use of potentials for the fields motivates the adoption of a Hamiltonian formulation for particles that employs the generalized (conjugate) momentum. A notable advantage offered by the Hamiltonian formulation is the elimination of time derivatives in the Lorenz gauge formulation that are required by the standard Newton–Lorentz treatment of the particles. This allows the fields to retain the full time-accuracy guaranteed by the field solver. The resulting updates for particles require only knowledge of the fields and their spatial derivatives. An analytical method for constructing these spatial derivatives is presented that exploits the underlying integral solution used in the field solver for the wave equations. Moreover, these derivatives are demonstrated to converge at the same rate as the fields in both time and space. The Method of Lines Transpose field solver we consider in this work is globally first-order accurate in time and high-order accurate in space (e.g., fourth- and fifth-order) and belongs to a larger class of methods which are unconditionally stable, can address geometry, and leverage $\mathcal {O}(N)$ fast summation methods for efficiency. We demonstrate the method on several well-established benchmark problems on bounded domains, including a plasma sheath as well as a relativistic particle beam. The efficacy of the proposed formulation is established by comparing with a second-order accurate finite-difference time-domain method that employs a leapfrog time advance for particles and a charge conserving map suitable for bounded domains. The new method shows mesh-independent numerical heating properties even in cases where the plasma Debye length is smaller than the grid spacing. This is an important feature of the new method for problems defined on bounded domains, because it permits the use of coarser grids in space in the representation of the fields. Such a capability has significant implications for the simulation of plasmas in bounded domains with complex geometry, where the ratio between the largest and smallest cells can vary significantly. The use of high-order spatial approximations in the new method also means that fewer grid points are required in order to achieve a fixed accuracy. Our results also suggest that the new method can be used with fewer simulation particles per cell compared to the benchmark explicit method, which permits further computational savings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

New processes and materials for ultraviolet detection with solid state devices

The three major effects that degrade external responsivity of silicon from the 1/lambda theoretical curve for a quantum detector are: surface reflectance, surface recombination, and junction depth. Since the p-n junction must be very shallow, problems relating to surface are further enhanced. MOS type of processing is necessary. HCl oxides and numerous acid clean-ups are utilized in order to obtain a contamination free surface with low Qss levels. Stringent process controls such as CV shifts, spreading resistance measurements, thickness monitoring etc., are used to analyze the surface contaminations, surface mobile charges, surface concentrations, junction depth, oxide thickness etc. Low surface concentrations of 10 to the 18th atoms/cu cm are achieved by low temperature boron nitride depositions. Shallow junction depths of the order of a few tenths of a micron are achieved by low temperature controlled diffusions. In order to improve breakdown characteristics of these shallow junction devices, field plate and deep diffused p(+) ring geometries are used.

Chopra, D.↗
DOE OSTI2023

Mesoporous CuFe 2 O 4 Photoanodes for Solar Water Oxidation: Impact of Surface Morphology on the Photoelectrochemical Properties**

Abstract Metal oxide‐based photoelectrodes for solar water splitting often utilize nanostructures to increase the solid‐liquid interface area. This reduces charge transport distances and increases the photocurrent for materials with short minority charge carrier diffusion lengths. While the merits of nanostructuring are well established, the effect of surface order on the photocurrent and carrier recombination has not yet received much attention in the literature. To evaluate the impact of pore ordering on the photoelectrochemical properties, mesoporous CuFe 2 O 4 (CFO) thin film photoanodes were prepared by dip‐coating and soft‐templating. Here, the pore order and geometry can be controlled by addition of copolymer surfactants poly(ethylene oxide)‐ block ‐poly(propylene oxide)‐ block ‐poly(ethylene oxide) (Pluronic® F‐127), polyisobutylene‐ block ‐poly(ethylene oxide) (PIB‐PEO) and poly(ethylene‐ co ‐butylene)‐ block ‐poly(ethylene oxide) (Kraton liquid™‐PEO, KLE). The non‐ordered CFO showed the highest photocurrent density of 0.2 mA/cm 2 at 1.3 V vs. RHE for sulfite oxidation, but the least photocurrent density for water oxidation. Conversely, the ordered CFO presented the best photoelectrochemical water oxidation performance. These differences can be understood on the basis of the high surface area, which promotes hole transfer to sulfite (a fast hole acceptor), but retards oxidation of water (a slow hole acceptor) due to electron‐hole recombination at the defective surface. This interpretation is confirmed by intensity‐modulated photocurrent (IMPS) and vibrating Kelvin probe surface photovoltage spectroscopy (VKP‐SPS). The lowest surface recombination rate was observed for the ordered KLE‐based mesoporous CFO, which retains spherical pore shapes at the surface resulting in fewer surface defects. Overall, this work shows that the photoelectrochemical energy conversion efficiency of copper ferrite thin films is not just controlled by the surface area, but also by surface order.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

W ± -boson production in p–Pb collisions at $ \sqrt{s_{\textrm{NN}}} $ = 8.16 TeV and Pb–Pb collisions at $ \sqrt{s_{\textrm{NN}}} $ = 5.02 TeV

The production of the W ± bosons measured in p–Pb collisions at a centre-of-mass energy per nucleon–nucleon collision $\sqrt{s_{NN}}$ = 8.16 TeV and Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV with ALICE at the LHC is presented. The W ± bosons are measured via their muonic decay channel, with the muon reconstructed in the pseudorapidity region -4 < η$_{lab}^{μ}$ < -2.5 with transverse momentum p$_{T}^{μ}$ > 10 GeV/c. While in Pb–Pb collisions the measurements are performed in the forward (2.5 < y$_{cms}^{μ}$ < 4) rapidity region, in p–Pb collisions, where the centre-of-mass frame is boosted with respect to the laboratory frame, the measurements are performed in the backward (-4.46 < y$_{cms}^{μ}$ < -2.96) and forward (2.03 < y$_{cms}^{μ}$ < 3.53) rapidity regions. The W - and W + production cross sections, lepton-charge asymmetry, and nuclear modification factors are evaluated as a function of the muon rapidity. In order to study the production as a function of the p–Pb collision centrality, the production cross sections of the W - and W + bosons are combined and normalised to the average number of binary nucleon–nucleon collision $\langle$N coll $\rangle$. In Pb–Pb collisions, the same measurements are presented as a function of the collision centrality. Study of the binary scaling of the W ± -boson cross sections in p–Pb and Pb–Pb collisions is also reported. The results are compared with perturbative QCD calculations, with and without nuclear modifications of the Parton Distribution Functions (PDFs), as well as with available data at the LHC. Significant deviations from the theory expectations are found in the two collision systems, indicating that the measurements can provide additional constraints for the determination of nuclear PDFs and in particular of the light-quark distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of double-differential charged-current Drell-Yan cross-sections at high transverse masses in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

This paper presents a first measurement of the cross-section for the charged-current Drell-Yan process pp → W ± → ℓ ± ν above the resonance region, where ℓ is an electron or muon. The measurement is performed for transverse masses, $m$$^{W}_{T}$, between 200 GeV and 5000 GeV, using a sample of 140 fb −1 of pp collision data at a centre-of-mass energy of = 13 TeV collected by the ATLAS detector at the LHC during 2015–2018. The data are presented single differentially in transverse mass and double differentially in transverse mass and absolute lepton pseudorapidity. A test of lepton flavour universality shows no significant deviations from the Standard Model. The electron and muon channel measurements are combined to achieve a total experimental precision of 3% at low $m$$^{W}_{T}$. The single- and double differential W-boson charge asymmetries are evaluated from the measurements. A comparison to next-to-next-to-leading-order perturbative QCD predictions using several recent parton distribution functions and including next-to-leading-order electroweak effects indicates the potential of the data to constrain parton distribution functions. The data are also used to constrain four fermion operators in the Standard Model Effective Field Theory formalism, in particular the lepton-quark operator Wilson coefficient $c$$^{(c)}_{ℓq}$.

Hadron-Hadron Scattering↗
DOE OSTI2025

The Mu2e straw tracker detector status and prototype results

The Mu2e experiment will search for charge-lepton flavor violating (CLFV) muon to electron conversion. It aims to achieve a four-orders of magnitude improvement in sensitivity over previous experiments, allowing it to probe new physics at mass scales up to 10 4 TeV . A precision momentum measurement is needed to resolve the monoenergetic electron that is the signal of CLFV conversion from muon decay-in-orbit backgrounds. Here, this is achieved in Mu2e using a low-mass cylindrical straw tracker operated in vacuum, consisting of 21,000 thin-wall mylar straws held at tension. The Mu2e tracker is now in production and will be completed during 2025. We will discuss the design and status of the experiment and the tracker detector, and show results from data taken with the first tracker module.

Gaseous detector↗
DOE OSTI2020

Ambient and High Pressure CuNiSb 2 : Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides

The mineral Zlatogorite, CuNiSb 2 , was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb 2 -AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb 2 -AP crystallizes in the NiAs-derived structure ( P 3 m 1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb 6 and CuSb 6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure ( P 6 3 / mm c, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb 2 -AP. The magnetic measurement indicates that CuNiSb 2 -AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb 2 -AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb 2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb 2 -8 GPa) was prepared by pressing CuNiSb 2 -AP at 700 °C and 8 GPa. However, the structures of single crystal and CuNiSb 2 -8 GPa are best fit with a disordered metal structure in the P 3 m 1 space group, corroborated by transmission electron microscopy.

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

High-Endurance Magneto-Electronic Switchable Molecular Electronic Crystal

Electrically switchable magnetic and electronic properties are promising for quantum sensing and information technology. Here, we report an electrically driven magnetic and electronic phase transition in molecular electronic crystal, potassium-7,7,8,8-tetracyanoquinodimethan, with the magneto-electric switching over 105 cycles at room temperature. Electron spin resonance study reveals the cooperative transition between spin and charge degrees of freedom. In addition, the mechanistic spectroscopy studies suggest the charges in an inhomogeneous conductor–insulator mixed state. Furthermore, the findings shown here suggest electrically controlled ordering in strongly correlated molecular crystal leads to dynamic magneto-electric switching, paving the way for developing molecular-based memory and switching devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Impact of Varying the Photoanode/Catalyst Interfacial Composition on Solar Water Oxidation: The Case of BiVO 4 (010)/FeOOH Photoanodes

Photoanodes used in a water-splitting photoelectrochemical cell are almost always paired with an oxygen evolution catalyst (OEC) to efficiently utilize photon-generated holes for water oxidation because the surfaces of photoanodes are typically not catalytic for the water oxidation reaction. Suppressing electron–hole recombination at the photoanode/OEC interface is critical for the OEC to maximally utilize the holes reaching the interface for water oxidation. Here, in order to explicitly demonstrate and investigate how the detailed features of the photoanode/OEC interface affect interfacial charge transfer and photocurrent generation for water oxidation, we prepared two BiVO 4 (010)/FeOOH photoanodes with different Bi:V ratios at the outermost layer of the BiVO 4 interface (close to stoichiometric vs Bi-rich) while keeping all other factors in the bulk BiVO 4 and FeOOH layers identical. The resulting two photoanodes show striking differences in the photocurrent onset potential and photocurrent density for water oxidation. The ambient pressure X-ray photoelectron spectroscopy results show that these two BiVO 4 (010)/FeOOH photoanodes show drastically different Fe 2+ :Fe 3+ ratios in FeOOH both in the dark and under illumination with water, demonstrating the immense impact of the interfacial composition and structure on interfacial charge transfer. Using computational studies, we reveal the effect of the surface Bi:V ratio on the hydration of the BiVO 4 surface and bonding with the FeOOH layer, which in turn affect the band alignments between BiVO 4 and FeOOH. These results explain the atomic origin of the experimentally observed differences in electron and hole transfer and solar water oxidation performance of the two photoanodes having different interfacial compositions.

14 SOLAR ENERGY↗
DOE OSTI2021

Moiré nematic phase in twisted double bilayer graphene

Graphene moiré superlattices display electronic flat bands. At integer fillings of these flat bands, energy gaps due to strong electron-electron interactions are generally observed. However, the presence of other correlation-driven phases in twisted graphitic systems at non-integer fillings is unclear. Here, we report the existence of threefold rotational symmetry breaking in twisted double bilayer graphene. Using spectroscopic imaging over large and uniform areas to characterize the direction and degree of C 3 symmetry breaking, we find it to be prominent only at energies corresponding to the flat bands and nearly absent in the remote bands. We demonstrate that the magnitude of the rotational symmetry breaking does not depend on the degree of the heterostrain or the displacement field, being instead a manifestation of an interaction-driven electronic nematic phase. We show that the nematic phase is a primary order that arises from the normal metal state over a wide range of doping away from charge. Furthermore, our modelling suggests that the nematic instability is not associated with the local scale of the graphene lattice, but is an emergent phenomenon at the scale of the moiré lattice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗