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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Effect of the Electric Mode and γ Irradiation on Surface-Defect Formation at the Si–SiO{sub 2} Interface in a MOS Transistor

The results of experimental investigation into surface-defect formation under the effect of gamma-radiation with a dose rate P = 0.1 rad(Si)/s on MOS (metal-oxide-semiconductor) transistors with the n-type channel in the passive and active modes are presented. Two stages of surface-defect formation are observed. A qualitative model is proposed to explain the effect of the the drain transistor voltage on the defect formation process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Materials path toward improved energy efficiency for High Energy Physics accelerators

For nearly fifty years researchers working with particle accelerators have envisioned reducing their initial and operating costs by substituting the intermetallic compound Nb 3 Sn for Nb as the cavity interior surface. The goal has remained elusive, stymied especially by the fall of cavity quality factor (representing increasing energy consumption) with increasing gradient (the amount of accelerator need to reach an energy goal). While one research group reported making a few cavities free of the problem, no one has reported how this comes about or has reproduced the improvement. We believe that insufficient understanding is responsible. We report here findings of a detailed, systematic study of the formation of Nb 3 Sn coatings on Nb, relating structure and properties of the coating to the process parameters and substrate materials on the one hand, and RF surface impedance and SRF cavity performance on the other was carried out, focusing on the two step (nucleation – deposition) tin vapor diffusion process. Major outcomes are: The choice of initial surface preparation (BCP etc) has no discernable impact on any quality of the final coating; Though tin chloride serves as the coating nucleant, no trace could be found by any means of chlorine after nucleation or coating; No evidence was found for any substantive impact of the details of the nucleation on the ultimate coating, as long as it was done within the frequently used range; The coating forms as Nb 3 Sn crystals by tin from the vapor diffusing down grain boundaries to the Nb interface and growing there. Higher temperature and longer time lead to larger, but otherwise substantially identical crystals; All coatings exhibited roughness on the micron scale. Testing the effect of coating surface modification technologies in use by the community, only a carefully tailored electropolish showed significant benefit; and, Preliminary results indicate that Ti contamination may be associated with falling gradient. Two particular item appear promising for future work. The effect of surface topography in the range seen here on performance is significant for niobium. The nature and impact on Nb 3 Sn, if any, needs to be understood and managed. At what level Ti, Ta or other impurities affects the performance of Nb 3 Sn needs to be understood.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Low temperature synthesis of nanocrystalline magnesium aluminate with high surface area by surfactant assisted precipitation method: Effect of preparation conditions

Highlights: ► MgAl{sub 2}O{sub 4} showed a high surface area and nanocrystalline structure. ► Addition of polymeric surfactant affected the structural properties of MgAl{sub 2}O{sub 4}. ► MgAl{sub 2}O{sub 4} prepared with surfactant showed a hollow cylindrical shape. -- Abstract: A surfactant assisted co-precipitation method was employed for the low temperature synthesis of magnesium aluminate spinel with nanocrystalline size and high specific surface area. Pluronic P123 triblock copolymer and ammonia solution were used as surfactant and precipitation agent, respectively. The prepared samples were characterized by thermal gravimetric and differential thermal gravimetric analyses (TG/DTG), X-ray diffraction (XRD), N{sub 2} adsorption (BET) and transmission electron microscopy (TEM) techniques. The effects of several process parameters such as refluxing temperature, refluxing time, pH, P123 to metals mole ratio (P123/metals) and calcination temperature on the structural properties of the samples were investigated. The obtained results showed that, among the process parameters pH and refluxing temperature have a significant effect on the structural properties of samples. The results revealed that increase in pH from 9.5 to 11 and refluxing temperature from 40 °C to 80 °C increased the specific surface area of prepared samples in the range of 157–188 m{sup 2} g{sup −1} and 162–184 m{sup 2} g{sup −1}, respectively. The XRD analysis showed the single-phase MgAl{sub 2}O{sub 4} was formed at 700 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

On the location and stability of charge in SiO{sub 2}/SiN{sub x} dielectric double layers used for silicon surface passivation

Dielectric double layers of thermal silicon dioxide–chemical vapour deposition (CVD) silicon nitride are found to produce excellent passivation of silicon surfaces by combining a chemical reduction of surface defect states, with a field effect reduction of carriers at the surface due to charge in the dielectrics. The charge present in such double-layers has previously been attributed to be characteristic of the interface between the two. However, experimental evidence shows this is indirect and inconclusive. This manuscript reports direct measurements that show the charge lies within 10 nm of the interface between passivating double layers of thermal silicon dioxide–plasma CVD silicon nitride. In addition, the passivation efficiency of oxide-nitride layers, deposited using optimised conditions, was found to be largely unaffected by extra charge subsequently added to the film. The passivation efficiency of textured surfaces or those produced using non-optimised deposition conditions is found to be highly dependent on the field effect component provided by extra deposited charge. Using such extra field effect component, surface recombination velocities <2 cm/s have been obtained on single oxide and oxide/nitride double layers. The extra deposited charge was found to have good long term stability when the dielectric films are submitted to a chemical treatment. By contrast, poor stability of the deposited charge was observed when subjected to ultraviolet radiation. These results point to the importance of the interface between dielectrics when considering how to optimise the charge present in passivating dielectric films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Non-equilibrium adatom thermal state enables rapid additive nanomanufacturing

A new state of radical thermal non-equilibrium in surface adsorbed molecules is discovered that enables rapid surface diffusion of energized adatoms with a negligible effect on the substrate surface temperature. Due to enhanced surface diffusion, growth rates can be achieved that improve the feasibility of many nanofabrication techniques. Since the adatom temperature cannot be directly measured without disturbing its thermodynamic state, the first principle hard-cube model is used to predict both the adatom effective temperature and the surface temperature in response to gaseous particle impingement in a vacuum. The validity of the approach is supported by local, spatially-resolved surface temperature measurements of the thermal response to supersonic microjet gas impingement. The ability to determine and control the adatom effective temperature, and therefore the surface diffusion rate, opens new degrees of freedom in controlling a wide range of nanofabrication processes that critically depend on surface diffusion of precursor molecules. Furthermore, this fundamental understanding has the potential to accelerate research into nanoscale fabrication and to yield the new materials with unique properties that are only accessible with nanoscale features.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Self-Consistent Interpretation of the 2D Structure of the Liquid Au[subscript 82]Si[subscript 18] Surface: Bending Rigidity and the Debye-Waller Effect

The structural and mechanical properties of 2D crystalline surface phases that form at the surface of liquid eutectic Au{sub 82}Si{sub 18} are studied using synchrotron x-ray scattering over a large temperature range. In the vicinity of the eutectic temperature the surface consists of a 2D atomic bilayer crystalline phase that transforms into a 2D monolayer crystalline phase during heating. The latter phase eventually melts into a liquidlike surface on further heating. We demonstrate that the short wavelength capillary wave fluctuations are suppressed due to the bending rigidity of 2D crystalline phases. The corresponding reduction in the Debye-Waller factor allows for measured reflectivity to be explained in terms of an electron density profile that is consistent with the 2D surface crystals.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

EFFECT OF PHOTODESORPTION ON THE SNOW LINES AT THE SURFACE OF OPTICALLY THICK CIRCUMSTELLAR DISKS AROUND HERBIG Ae/Be STARS

We investigate the effect of photodesorption on the snow line position at the surface of a protoplanetary disk around a Herbig Ae/Be star, motivated by the detection of water ice particles at the surface of the disk around HD142527 by Honda et al. For this aim, we obtain the density and temperature structure in the disk with a 1+1D radiative transfer and determine the distribution of water ice particles in the disk by the balance between condensation, sublimation, and photodesorption. We find that photodesorption induced by far-ultraviolet radiation from the central star depresses the ice-condensation front toward the mid-plane and pushes the surface snow line significantly outward when the stellar effective temperature exceeds a certain critical value. This critical effective temperature depends on the stellar luminosity and mass, the water abundance in the disk, and the yield of photodesorption. We present an approximate analytic formula for the critical temperature. We separate Herbig Ae/Be stars into two groups on the HR diagram according to the critical temperature: one is the disks where photodesorption is effective and from which we may not find ice particles at the surface, and the other is the disks where photodesorption is not effective. We estimate the snow line position at the surface of the disk around HD142527 to be 100-300 AU, which is consistent with the water ice detection at >140 AU in the disk. All the results depend on the dust grain size in a complex way, and this point requires more work in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impacts of Sub‐Grid Topographic Representations on Surface Energy Balance and Boundary Conditions in the E3SM Land Model: A Case Study in Sierra Nevada

Abstract Sub‐grid topographic heterogeneity has large impacts on surface energy balance and land‐atmosphere interactions. However, the impacts of representing sub‐grid topographic effects in land surface models (LSMs) on surface energy balance and boundary conditions remain unclear. This study analyzed and evaluated the impacts of sub‐grid topographic representations on surface energy balance, turbulent heat flux, and scalar (co‐)variances in the Energy Exascale Earth System Model (E3SM) land model (ELM). Three sub‐grid topographic representations in ELM were compared: (a) the default sub‐grid structure (D), (b) the recently developed sub‐grid topographic structure (T), and (c) high spatial resolution (1KM). Additionally, two different solar radiation schemes in ELM were compared: (a) the default plane‐parallel radiative transfer scheme (PP) and (b) the parameterization scheme (TOP) that accounts for sub‐grid topographic effects on solar radiation. A series of offline simulations with the three grid discretization structures (D, T, and 1KM) and two schemes of solar radiation (TOP and PP) were carried out using the Sierra Nevada, California. 1KM simulations with TOP well capture the spatial heterogeneity of surface fluxes compared to Moderate Resolution Imaging Spectroradiometer remote sensing data. There are significant differences between TOP and PP in the 1‐km simulated surface energy balance, but the differences in mean values and standard deviations become small when aggregated to the grid scale (i.e., 0.5°). The T configuration better mimics the 1KM simulations with TOP than the D configuration and better captures the sub‐grid topographic effects on surface energy balance and boundary conditions. These results underline the importance of representing sub‐grid topographic heterogeneities in LSMs and motivate future research to understand the sub‐grid topographic effects on land‐atmosphere interactions over mountainous areas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Coupled effects of future rainfall and land use on urban stormwater drainage system in Tampa, Florida (USA)

Future rainfall and land use are two important factors for flood management since they both directly and indirectly affect the functionality and performance of urban stormwater drainage infrastructures. Although some studies have already examined the coupled effects of future rainfall and land use conditions, they have not concluded how such effects on both surface runoff and flood areas would change with regional surface elevation variation and infrastructure conditions. This paper analyzed the coupled effects of future rainfall and land use on urban drainage systems in terms of surface runoff quantity and flood area changes using EPA SWMM. Future downscaled and bias-corrected precipitation projections for 2040–2060 and 2080–2099 from “Downscaled CMIP3 and CMIP5 Climate and Hydrology Projections” Archive and future land use for 2050 s and 2090 s from EPA ICLUS project were used for the City of Tampa in Florida (USA). It was shown that potential runoff volume and flood area changes ranged from –40% to 160%, and –40% to 400% due to rainfall change, while potential changes induced by land use change ranged from 0% to 3.5%, and 0% to 18% respectively. Additionally, this study examined the coupled effects of future rainfall and land use changes on flood area variations, considering the capacity of drainage infrastructure and elevation variation of study site. Results showed that flood area variations are not solely influenced by runoff quantity changes due to the two external drivers, but also by other factors. Specifically, in low-relief areas with inadequate drainage infrastructure and less elevation variation, these two drivers have no additive effects on the percentage of flood area changes. In contrast, in areas with adequate drainage infrastructure and greater surface elevation variation, there are additive effects from rainfall and land use changes on flood area expansions. These findings have important implications for stakeholders involved in city planning and flooding control, particularly for urban areas facing future precipitation and urbanization challenges.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Influence of diamond surface termination on thermal boundary conductance between Al and diamond

The effect of diamond surface treatment on the Thermal Boundary Conductance (TBC) between Al and diamond is investigated. The treatments consist in either of the following: exposition to a plasma of pure Ar, Ar:H and Ar:O, and HNO{sub 3}:H{sub 2}SO{sub 4} acid dip for various times. The surface of diamond after treatment is analyzed by X-ray Photoelectron Spectroscopy, revealing hydrogen termination for the as-received and Ar:H plasma treated samples, pure sp{sup 2} termination for Ar treated ones and oxygen (keton-like) termination for the other treatments. At ambient, all the specific treatments improve the TBC between Al and diamond from 23 {+-} 2 MW m{sup -2} K{sup -1} for the as-received to 65 {+-} 5, 125 {+-} 20, 150 {+-} 20, 180 {+-} 20 MW m{sup -2} K{sup -1} for the ones treated by Ar:H plasma, acid, pure Ar plasma, and Ar:O plasma with an evaporated Al layer on top, respectively. The effect of these treatments on temperature dependence are also observed and compared with the most common models available in the literature as well as experimental values in the same system. The results obtained show that the values measured for an Ar:O plasma treated diamond with Al sputtered on top stay consistently higher than the values existing in the literature over a temperature range from 78 to 290 K, probably due a lower sample surface roughness. Around ambient, the TBC values measured lay close to or even somewhat above the radiation limit, suggesting that inelastic or electronic processes may influence the transfer of heat at this metal/dielectric interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Fourier-method beam analysis for coherent vertical cavity surface emitting laser arrays

Effective engineering and exploitation of coherently coupled vertical cavity surface emitting laser arrays will benefit from simple and fast characterization of the optical coupling and coherence. We propose a Fourier method of analyzing beam profiles as an alternative to the prior beam visibility analysis and show that the mode suppression ratio and phase between a pair of supermodes can be extracted. Our analysis enables fast quantitative determination of the array coherence and supermode characteristics.

Strzebonski, Pawel (ORCID:0000000156286296)↗
DOE OSTI2012

Thermoplastic deformation of silicon surfaces induced by ultrashort pulsed lasers in submelting conditions

A hybrid theoretical model is presented to describe thermoplastic deformation effects on silicon surfaces induced by single and multiple ultrashort pulsed laser irradiation in submelting conditions. An approximation of the Boltzmann transport equation is adopted to describe the laser irradiation process. The evolution of the induced deformation field is described initially by adopting the differential equations of dynamic thermoelasticity while the onset of plastic yielding is described by the von Mises stress. Details of the resulting picometre sized crater, produced by irradiation with a single pulse, are discussed as a function of the imposed conditions and thresholds for the onset of plasticity are computed. Irradiation with multiple pulses leads to ripple formation of nanometre size that originates from the interference of the incident and a surface scattered wave. It is suggested that ultrafast laser induced surface modification in semiconductors is feasible in submelting conditions, and it may act as a precursor of the incubation effects observed at multiple pulse irradiation of materials surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomistic Insight into Cation Effects on Binding Energies in Cu-Catalyzed Carbon Dioxide Reduction

Electrolyte properties in general and electrolyte ions in particular have been shown to have significant effects on the kinetics of electrochemical CO 2 and CO reduction at metal electrodes, but these effects have not yet been fully understood. Here, we investigate the effects of cations at the aqueous electrolyte–Cu(211) interface on adsorbate binding energies and the electrolyte structure using density functional theory (DFT). Charging the interface via explicit Na + has systematic effects on adsorbate–electrolyte interactions and conformations. We describe specific local adsorbate–ion interactions, including direct alkali ion–adsorbate coordination and hydrogen bonding via ion-coordinated water molecules. The relative importance of these specific interactions and purely electrostatic field–adsorbate interactions is investigated by comparing the DFT-calculated ion effects to those predicted by purely electrostatic models of the interface and the adsorbates. We find that the trend in ion effects among different adsorbates at constant surface charge density is well explained by a purely electrostatic interaction model. The binding energy of OCCHO is found to depend strongly on the surface charge density as well as the spatial distribution of ions at constant surface charge density. These effects are also explained by a purely electrostatic local electrostatic field–adsorbate model. This indicates that alkali ion effects can be mainly attributed to purely electrostatic field interactions and that the local field at ion-stabilized active sites can depend significantly on both the overall charge density and on the spatial distribution of ions at constant charge density. This work provides new insight on alkali ion effects on a variety of adsorbates relevant to the CO 2 and CO reduction reactions by describing specific local ion–adsorbate interactions, systematic changes in adsorbate–electrolyte interactions induced by explicit surface charge, and comparisons of the calculated effects on binding energies to simple electrostatic field–adsorbate models to explain trends among various adsorbates and at varying surface charge densities and supercell configurations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

The effect of microscopic texture on the direct plasma surface passivation of Si solar cells

Textured silicon surfaces are widely used in manufacturing of solar cells due to increasing the light absorption probability and also the antireflection properties. However, these Si surfaces have a high density of surface defects that need to be passivated. In this study, the effect of the microscopic surface texture on the plasma surface passivation of solar cells is investigated. The movement of 10{sup 5} H{sup +} ions in the texture-modified plasma sheath is studied by Monte Carlo numerical simulation. The hydrogen ions are driven by the combined electric field of the plasma sheath and the textured surface. The ion dynamics is simulated, and the relative ion distribution over the textured substrate is presented. This distribution can be used to interpret the quality of the Si dangling bonds saturation and consequently, the direct plasma surface passivation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Metallic Li on the Surface Chemistry of Inconel 625 Exposed to Molten LiCl-Li 2 O-Li

This study explores the surface chemistry of Inconel 625 samples exposed to molten LiCl-Li 2 O-Li solutions at 650°C for 500 and 1000hr and aims to understand the effect of solvated Li on corrosion behavior in molten LiCl-Li 2 O-Li. The surfaces of Inconel 625 samples were analyzed using X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. The oxide films formed on the surface of the samples in the absence of Li is composed of LiCrO 2 , with small contributions of Li 2 CrO 4 and NiFexCr 2 -xO 4 . The presence of Li was observed to destabilize these compounds, resulting in a primarily metallic surface with trace amounts of oxidized Cr, Mo, and Nb present depending on the concentration of Li in solution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

First-Principles Modeling of the Repassivation of Corrosion Resistant Alloys: Part I. O and Cl Adsorption Energy

To understand the mechanism of repassivation, a key process that controls the performance of corrosion resistant alloys (CRAs), it is useful to obtain some fundamental parameters that describe the atomistic processes. Oxygen and chlorine adsorption energies were systematically calculated with density functional theory for Ni-22Cr alloys with seven different solute elements: Co, Cu, Fe, Mn, Mo, Ru and W. All elements other than Cu enhance both O and Cl adsorption to alloy surfaces. Cr has the strongest effect among these elements. Surface configurations that give stronger O adsorption also tend to give stronger Cl adsorption. While this makes it difficult to differentiate the effect of these solute elements on the oxidation/repassivation tendency of alloys, these fundamental properties provide the foundation for higher scale models that could be used to study the oxidation process during corrosion and potentially inform the design of CRAs. Bader charge analysis reveals a strong relationship between the adatom adsorption energy and the Bader charges of both O and Cl adatom. In conclusion, the work function of alloy surfaces is increased by O while decreased by Cl, suggesting that Cl adsorption can have an intrinsic negative impact on corrosion resistance by decreasing the barrier to electron transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Record surface state mobility and quantum Hall effect in topological insulator thin films via interface engineering

Material defects remain as the main bottleneck to the progress of topological insulators (TIs). In particular, efforts to achieve thin TI samples with dominant surface transport have always led to increased defects and degraded mobilities, thus making it difficult to probe the quantum regime of the topological surface states. Here, by utilizing a novel buffer layer scheme composed of an In 2 Se 3 /(Bi 0.5 In 0.5 ) 2 Se 3 heterostructure, we introduce a quantum generation of Bi 2 Se 3 films with an order of magnitude enhanced mobilities than before. Furthermore, this scheme has led to the first observation of the quantum Hall effect in Bi 2 Se 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

False-negative rate, limit of detection and recovery efficiency performance of a validated macrofoam-swab sampling method for low surface concentrations of Bacillus anthracis Sterne and Bacillus atrophaeus spores

The performance of a macrofoam-swab sampling method was evaluated using Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus Nakamura (BG) spores applied at nine low target amounts (2-500 spores) to positive-control plates and test coupons (2 in × 2 in) of four surface materials (glass, stainless steel, vinyl tile, and plastic). Test results from cultured samples were used to evaluate the effects of surrogate, surface concentration, and surface material on recovery efficiency (RE), false negative rate (FNR), and limit of detection. For RE, surrogate and surface material had statistically significant effects, but concentration did not. Mean REs were the lowest for vinyl tile (50.8% with BAS and 40.2% with BG) and the highest for glass (92.8% with BAS and 71.4% with BG). FNR values ranged from 0 to 0.833 for BAS and 0 to 0.806 for BG; values increased as concentration decreased in the range tested (0.078 to 19.375 CFU/cm2). Surface material also had a statistically significant effect. A FNR-concentration curve was fit for each combination of surrogate and surface material. For both surrogates, the FNR curves tended to be the lowest for glass and highest for vinyl title. The FNR curves for BG tended to be higher than for BAS at lower concentrations, especially for glass. Results using a modified Rapid Viability-Polymerase Chain Reaction (mRV-PCR) analysis method were also obtained. The mRV-PCR results and comparisons to the culture results will be discussed in a subsequent article.

Bacillus anthracis↗