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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spatio-temporal electric field distributions in an atmospheric plasma jet impinging on a microchannel array surface

The electric field distribution in the ionization waves (IWs) propagating over a microchannel array dielectric surface, with the channels either empty or filled with distilled water, is measured by ps electric field induced second harmonic generation. The surface IW is initiated by the atmospheric pressure N 2 –Ar plasma jet impinging on the surface vertically and powered by ns pulse discharge bursts. The results show that the electric field inside the microchannels, specifically its horizontal component, is enhanced by up to a factor of 2. The field enhancement region is localized within the channels. The vertical electric field inside the channels lags in time compared to the field measured at the ridges, indicating the transient reversal of the IW propagation direction across the channels (toward the jet). This is consistent with the phase-locked plasma emission images and confirmed by the kinetic modeling predictions, which show that the IW ‘jumps’ over the empty channels and propagates into the channels only after the jump between the adjacent ridges. When the channels are filled with water, the wave speed increases by up to 50%, due to the higher effective dielectric constant of the surface. No evidence of a significant electric field enhancement near the dielectric surface (ceramic or water) has been detected, within the spatial resolution of the present diagnostic, ~100 μ m.

plasmas and liquids↗
DOE OSTI2021

Micro-trench measurements of the net deposition of carbon impurity ions in the DIII-D divertor and the resulting suppression of surface erosion

In this work, we report carbon impurity ion incident angles and deposition rates, along with silicon erosion rates, from measurements of micro-engineered trenches on a silicon surface exposed to L-mode deuterium plasmas at the DIII-D divertor. Post exposure ex-situ analysis determined elemental maps and concentrations, carbon deposition thicknesses, and erosion of silicon surfaces. Carbon deposition profiles on the trench floor showed carbon ion shadowing that was consistent with ERO calculations of average carbon ion angle distributions (IADs) for both polar and azimuthal angles. Measured silicon net erosion rates negatively correlated with the deposited carbon concentration at different locations. Differential erosion of surfaces on two different ion-downstream trench slope structures suggested that carbon deposition rate is affected by the carbon ion incident angle and significantly suppressed the surface erosion. The results suggest the C impurity ion incident angles, determined by the IADs and surface morphology, strongly affect erosion rates as well as the main ion (D, T, He) incident angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Surface superconductivity in the type II Weyl semimetal TaIrTe 4

The search for unconventional superconductivity in Weyl semimetal materials is currently an exciting pursuit, since such superconducting phases could potentially be topologically non-trivial and host exotic Majorana modes. The layered material TaIrTe 4 is a newly predicted time-reversal invariant type II Weyl semimetal with the minimum number of Weyl points. Here, we report the discovery of surface superconductivity in Weyl semimetal TaIrTe 4 . Our scanning tunneling microscopy/spectroscopy (STM/STS) visualizes Fermi arc surface states of TaIrTe 4 that are consistent with the previous angle-resolved photoemission spectroscopy results. By a systematic study based on STS at ultralow temperature, we observe uniform superconducting gaps on the sample surface. The superconductivity is further confirmed by electrical transport measurements at ultralow temperature, with an onset transition temperature (T c ) up to 1.54 K being observed. The normalized upper critical field h*(T/T c ) behavior and the stability of the superconductivity against the ferromagnet indicate that the discovered superconductivity is unconventional with the p-wave pairing. The systematic STS, and thickness- and angular-dependent transport measurements reveal that the detected superconductivity is quasi-1D and occurs in the surface states. The discovery of the surface superconductivity in TaIrTe 4 provides a new novel platform to explore topological superconductivity and Majorana modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

First principles study of the Fermi surface topology of CeCu 2 ⁢Si 2

Since the discovery of heavy-fermion superconductivity in CeCu 2 ⁢Si 2 , the material has attracted great interest, particularly with regard to the nature of the superconducting pairing and its mechanism. Consequently, it is essential to better understand the electronic Fermi surface topology and its role in strong antiferromagnetic fluctuations. The standard density functional theory method is insufficient to model the interplay of strong on-site Coulomb repulsion in localized 4⁢𝑓 electrons and their hybridization with itinerant ligand-orbital electrons. We have performed electronic ground-state calculations on CeCu 2 ⁢Si 2 using the Gutzwiller wave function approximation. The Gutzwiller approximation captures the quasiparticle band renormalization from the strong on-site Coulomb repulsion. We have performed an analysis of this effect on the electronic structure and the Fermi surface topology by varying the interaction strength and taking into account the crystal-field splitting. Using the de Haas-van Alphen effect, the extremal Fermi surface cross-sectional areas were calculated to quantify the effects of quasiparticle mass renormalization on the Fermi surface. Our results confirm the presence of two Fermi surface sheets corresponding to the heavy (488⁢𝑚 𝑒 ) and light (4.35⁢𝑚 𝑒 ) quasiparticles when the crystal-field splitting is accounted for on equal footing with the electronic correlations. This method gives the best agreement with experimental measurements as well as the renormalized band method.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nontrivial Fermi surface topology of the kagome superconductor CsV 3 Sb 5 probed by de Haas–van Alphen oscillations

Here, we have investigated the normal state Fermi-surface properties of the kagome superconductor CsV 3 Sb 5 using torque magnetometry with applied fields (H) up to 35 T. The torque signal shows clear de Haas-van Alphen (dHvA) oscillations above 15 T. The oscillations are smooth and consist of seven distinct frequencies with values from similar to ~18 T to 2135 T. The presence of higher frequencies in CsV 3 Sb 5 is further confirmed by carrying out additional measurements using the tunnel diode oscillator technique. All frequencies measured at different tilt angles (θ) of the field direction with respect to the c axis show a 1/cosθ dependence, implying that the Fermi surfaces corresponding to these frequencies are two dimensional (2D). The absence of dHvA oscillations at θ = 90° further supports the presence of 2D Fermi surfaces. The Berry phase (φ) determined from the Landau level fan diagram for all frequencies is similar to ~ 0.4. This value is close to the theoretical value of φ = 0.5 for a nontrivial system, which strongly supports the nontrivial topology of the Fermi surfaces of these frequencies. Several quantities characterizing the Fermi surface are calculated employing the Lifshitz-Kosevich theory. These findings are crucial for exploring the interplay between nontrivial band topology, charge-density wave, and unconventional superconductivity of CsV 3 Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Unconventional Photocurrents from Surface Fermi Arcs in Topological Chiral Semimetals

The nonlinear optical responses from topological semimetals are crucial in both understanding the fundamental properties of quantum materials and designing next-generation light sensors or solar cells. However, previous work focused on the optical effects from bulk states only, disregarding the responses from topological surface states. Here, we propose a new surface-only photocurrent response from chiral Fermi arcs. Using the ideal topological chiral semimetal RhSi as a representative, we quantitatively compute the photogalvanic currents from Fermi arcs on different surfaces. By rigorous crystal symmetry analysis, we demonstrate that Fermi arc photogalvanic currents can be perpendicular to the bulk injection currents regardless of the choice of materials surface. We then generalize this finding to other cubic chiral space groups and predict material candidates. Our theory reveals a powerful notion where common crystalline symmetry can be used to completely disentangle bulk and surface optical responses in many conducting material families.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Robust A -Type Order and Spin-Flop Transition on the Surface of the Antiferromagnetic Topological Insulator MnBi 2 Te 4

Here, we present microscopic evidence of the persistence of uniaxial A-type antiferromagnetic order to the surface layers of MnBi 2 Te 4 single crystals using magnetic force microscopy. Our results reveal termination-dependent magnetic contrast across both surface step edges and domain walls, which can be screened by thin layers of soft magnetism. The robust surface A-type order is further corroborated by the observation of termination-dependent surface spin-flop transitions, which have been theoretically proposed decades ago. Our results not only provide key ingredients for understanding the electronic properties of the antiferromagnetic topological insulator MnBi 2 Te 4 , but also open a new paradigm for exploring intrinsic surface metamagnetic transitions in natural antiferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Exchange-Driven Intermixing of Bulk and Topological Surface States by Chiral Excitons in Bi 2 Se 3

Topological surface states (TSS) in the prototypical topological insulator (TI) Bi 2 Se 3 are frequently characterized using optical probes, but electron-hole interactions and their effect on surface localization and optical response of the TSS remain unexplored. Here, we use ab initio calculations to understand excitonic effects in the bulk and surface of Bi 2 Se 3 . We identify multiple series of chiral excitons that exhibit both bulk and TSS character, due to exchange-driven mixing. Further, our results address fundamental questions about the degree to which electron-hole interactions can relax the topological protection of surface states and dipole selection rules for circularly polarized light in TIs by elucidating the complex intermixture of bulk and surface states excited in optical measurements and their coupling to light.

42 ENGINEERING↗
DOE OSTI2020

Structure of the (110) Ln ScO 3 ( Ln =Gd,Tb,Dy) surfaces

The surface reconstruction on the (110) surface of LnScO 3 (Ln=Gd,Tb,Dy) has been investigated using x-ray photoelectron spectroscopy, atomic force microscopy, and transmission electron diffraction coupled with higher-level density-functional theory methods. The experimental techniques generate constraints on the surface chemistry and structure that are used to inform the theoretical comparison of a number of potential surface structures. The resulting structure is then compared to experimental aberration-corrected transmission electron microscopy results using multislice simulation. The surfaces of both single-crystalline substrates and hydrosauna synthesized nanoparticles exhibit a Sc-rich double layer with a Sc 3 O 4 termination.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of transport mechanism on the coarsening of bicontinuous structures: A comparison between bulk and surface diffusion

Here, coarsening of bicontinuous microstructures is observed in a variety of systems, such as nanoporous metals and mixtures that have undergone spinodal decomposition. To better understand the morphological evolution of these structures during coarsening, we compare the morphologies resulting from two different coarsening mechanisms, surface and bulk diffusion. We perform phase-field simulations of coarsening via each mechanism in a two-phase mixture at nominal volume fractions of 50%-50% and 36%-64%, and the simulated structures are characterized in terms of topology (genus density), the interfacial shape distribution, structure factor, and autocorrelations of phase and mean curvature. We observe self-similar evolution of morphology and topology and agreement with the expected power laws for dynamic scaling, in which the characteristic length scale increases over time proportionally to t 1/4 for surface diffusion and t 1/3 for bulk diffusion. While we observe the expected difference in the coarsening kinetics, we find that differences in self-similar morphology due to coarsening mechanism are relatively small, although typically they are larger at 36% volume fraction than at 50% volume fraction. In particular, we find that bicontinuous structures coarsened via surface diffusion have lower scaled genus densities than structures coarsened via bulk diffusion. We also compare the self-similar morphologies to those in literature and to two model bicontinuous structures, namely, constant-mean-curvature surfaces based on the Schoen G minimal surface and random leveled-wave structures. The average scaled mean curvatures of these model structures agree reasonably with those of the coarsened structures at both 36% and 50%, but we find substantial disagreements in the scaled genus densities and the standard deviations of mean curvature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Separate Surface and Bulk Topological Anderson Localization Transitions in Disordered Axion Insulators

In topological phases of matter for which the bulk and boundary support distinct electronic gaps, there exists the possibility of decoupled mobility gaps in the presence of disorder. This is in analogy with the well-studied problem of realizing separate or concomitant bulk-boundary criticality in conventional Landau theory. Using a three-dimensional axion insulator having clean, gapped surfaces with 𝑒 2 /2⁢ℎ quantized Hall conductance, we show that the bulk and surface mobility gap evolve differently in the presence of disorder. The decoupling of the bulk and surface topology yields a regime that realizes a two-dimensional, unquantized anomalous Hall metal in the Gaussian unitary ensemble on each surface, which shares some spectral and response properties akin to the surface states of a conventional 3D topological insulator. The generality of these results, as well as extensions to other insulators and superconductors, is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Effects of surface undulations on asymmetric X-ray diffraction: a rocking-curve topography study

The results are reported of an X-ray diffraction study of an Si crystal designed and fabricated for very asymmetric diffraction from the 333 reflection for X-ray energies of 8.100 and 8.200 keV. A crystal with an asymmetry angle of 46 ± 0.1° between the surface and the (111) planes was studied. The grazing angles of incidence were near 1.08 and 0.33° for these two energies, respectively. Features arising from surface undulations were not observed at 8.100 keV, but were observed at 8.200 keV. The results at 8.100 keV allow an alternative explanation based on strain near the surface to be ruled out. Topographic images were obtained as a function of rocking angle, and in the case of 8.200 keV the surface morphology is evident. Finally, the results are found to be in agreement with dynamical X-ray diffraction calculations made with the Takagi–Taupin equations specialized to a surface having convex or concave features, as reported in the accompanying paper [Macrander (2020). J. Appl. Cryst. 53 , 793–799].

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhanced Surface Passivation by Atomic Layer Deposited Al 2 O 3 for Ultraviolet Sensitive Silicon Photomultipliers

Here, we describe a superior passivation of p-type (p + ) Si surface by Al 2 O 3 thin film that is synthesized by plasma-assisted atomic layer deposition for ultraviolet sensitive silicon photomultipliers (SiPM), compared to conventional SiO 2 and SiN x passivation schemes. The superiority of Al 2 O 3 passivation is due to not only a sufficiently low interface defect density but also a high density of built-in negative charges. A 7 nm thin Al 2 O 3 film can yield an emitter saturation current density of ~8 fA/cm 2 on high sheet resistance p + layer, compared to ~60 and ~1480 fA/cm 2 for thermal SiO 2 and SiN x passivation. This superior surface passivation allows the photon-generated carriers to have higher probabilities to reach the high-field region to trigger an avalanche event. In addition, Al 2 O 3 thin film provides very low values of effective surface recombination velocity on low resistivity n-type and p-type Si surfaces, which can lead to well-passivated surface features on guard ring and trench isolation regions of SiPM. These demonstrate the potential of Al 2 O 3 thin film passivation to improve quantum efficiency and thus photo-detection efficiency of ultraviolet sensitive SiPM with p + /n - /n/n + structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Study of a linear surface wave plasma source for tin removal in an extreme ultraviolet source

Tin deposition mitigation employs hydrogen radicals and ions, formed in a hydrogen plasma, to interact with tin to form tin hydride (SnH 4 ) in the gaseous state, which is then pumped away. Surface wave plasma (SWP) technology developed at Illinois generates hydrogen radicals and ions, resulting in tin etch rates that are high enough to keep extreme ultraviolet (EUV) lithographic tools clean. An advantage of an SWP antenna is the ability to generate a high density of hydrogen radicals and hydrogen ions directly at the desired etching location. In situ etching of tin enables high availability EUV tools by maintaining high reflectivity of the multilayer mirror of the collector. Additionally, the SWP is characterized with low ion energies and low electron temperature, such that the multilayer mirror does not suffer any damage from sputtering or implantation of hydrogen ions during operation. Here, experiments elucidating the fundamental processes of tin removal are conducted by varying pressure, power, surface temperature, and gas flow rate in order to observe the etch rate behavior. Our results have shown that the presence of hydrogen ions increases etch rates because ion bombardment weakens Sn–Sn bonds, which, in turn, allows for a higher rate of chemical etching by the radicals. The ion bombardment reduces the number of radicals needed to etch a single tin atom to the range of 10 2 –10 3 . The linear SWP antenna yields plasma densities on the order of 10 17 to 10 18 m -3 and radical densities on the order of 10 18 to 10 19 m -3 , allowing for greater utilization of ion etch enhancement. Etch rates of up to 200 nm/min have been achieved. The surface temperature of the samples is an important factor in the etching process such that the decrease in the surface temperature increases the etch rates and decreases the hydrogen desorption rates. In addition, a kinetic etch model is developed to explain the behavior of etch rates as a function of surface temperature. Furthermore, results from experiments performed in an Illinois NXE:3100 chamber will be discussed.

42 ENGINEERING↗
DOE OSTI2023

Analyzing barium titanate TiO2 surface interactions with tert-butylphosphonic acid using density functional theory

Abstract Barium titanate (BTO) is a widely researched ferroelectric useful for energy storage. While BTO’s surface chemistry is commonly studied using density functional theory, little has been published on the TiO2 surface. Here, we determined that BTO’s surface response can be decoupled from the ferroelectric response by using a pre-optimized ferroelectric slab and allowing only the top three atomic z-layers to respond to ligand binding. Multiple favorable binding modes were identified for hydrogen, hydroxyl, water, and tert-butyl phosphonic acid on BTO’s TiO 2 surface. Of these ligands, tBuPA dominates surface binding with binding energies as low as − 2.61 eV for its nine configurations. Graphical abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Y-12 Groundwater Protection Program Groundwater and Surface Water Sampling and Analysis Plan (CY 2021)

This plan provides a description of the groundwater and surface water quality monitoring activities planned for calendar year (CY) 2021 at the U.S. Department of Energy Y-12 National Security Complex (Y-12) that will be managed by the Y-12 Groundwater Protection Program (GWPP). Groundwater and surface water monitoring is performed by the GWPP. Groundwater and surface water monitoring will be performed in three hydrogeologic regimes at Y-12: the Bear Creek Hydrogeologic Regime (Bear Creek Regime), the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek and East Fork regimes are located in Bear Creek Valley and the Chestnut Ridge Regime is located south of Y-12. Additional surface water monitoring will be performed north of Pine Ridge along the boundary of the Oak Ridge Reservation. The following sections of this report provide details regarding the CY 2021 groundwater and surface water monitoring activities. Section 2 describes the monitoring locations in each regime and the processes used to select the sampling locations. A description of the field measurements and laboratory analytes is provided in Section 3. Sample collection methods and procedures are described in Section 4, and Section 5 lists the documents cited for more detailed operational and technical information. The narrative sections of the report reference several appendices. Figures (maps and diagrams) and tables (excluding a data summary table presented in Section 4) are in Appendix A and Appendix B, respectively. Groundwater Monitoring Schedules (when issued throughout CY 2021) will be inserted in Appendix C, and addenda to this plan (if issued) will be inserted in Appendix D. Laboratory requirements (bottle lists, holding times, etc.) are provided in Appendix E, and an approved Waste Management Plan is provided in Appendix F. Modifications to the CY 2021 monitoring program may be necessary during implementation. Changes in programmatic requirements may alter the analytes specified for selected monitoring wells or may add or remove wells from the planned monitoring network. Each modification to the monitoring program will be approved by the Y-12 GWPP manager and documented as an addendum to this sampling and analysis plan.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Atomic Layer Deposition (ALD) of Metal and Metal Oxide Films: A Surface Science Study (Final Report)

This is the final report for this project. The long-term objective of our project is to develop a general molecular-level picture of the surface chemistry associated with ALD processes. Our central hypothesis is that the chemistry of ALD precursors can differ significantly from that seen in solution. Awareness of such differences should provide general guidelines on what to watch for when synthesizing new ALD precursors and designing and optimizing new ALD processes, especially in terms of minimizing the incorporation of impurities in the growing films and of carrying out depositions under mild pressure and temperature conditions. The main objective of our research project has been to advance the fundamental knowledge of the surface chemistry of ALD precursors needed for the design and optimization of film deposition processes. A modern surface-science approach has been implemented to both elucidate the mechanism of the reactions of the precursors on the surface and characterize the composition and morphology of the growing films. In general, emphasis is being placed on: • Identifying the primary reactions that may lead to the deposition of clean films; •Identifying the secondary reactions that may help the ALD process, by, for instance, helping with the reduction (or oxidation) of the metal atom; • Identifying the secondary reactions that may lead to the deposition of undesirable impurities in the growing films; • Determining the kinetic parameters of the relevant surface reactions in order to define the optimum conditions for film deposition and to minimize impurity deposition. • Characterizing the nature of the resulting films, with focus on their stoichiometry and on the final oxidation states of the constituent elements; and • Using the information obtained to propose better precursors for given ALD processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Formation of field-induced breakdown precursors on metallic electrode surfaces

Understanding the underlying factors responsible for higher-than-anticipated local field enhancements required to trigger vacuum breakdown on pristine metal surfaces is crucial for the development of devices capable of withstanding intense operational fields. In this study, we investigate the behavior of nominally flat copper electrode surfaces exposed to electric fields of hundreds of MV/m. Our novel approach considers curvature-driven diffusion processes to elucidate the formation of sharp breakdown precursors. To do so, we develop a mesoscale finite element model that accounts for driving forces arising from both electrostatic and surface-tension-induced contributions to the free energy. Our findings reveal a dual influence: surface tension tends to mitigate local curvature, while the electric field drives mass transport toward regions of high local field density. This phenomenon can trigger the growth of sharper protrusions, ultimately leading to a rapid enhancement of local fields and, consequently, to a runaway growth instability. We delineate supercritical and subcritical regimes across a range of initial surface roughness. Our numerical results are in qualitative agreement with experimentally reported data, indicating the potential practical relevance of field-driven diffusion in the formation of breakdown precursors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗