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At least 19 records

Reducing Surface Recombination Velocity of Methylammonium-Free Mixed-Cation Mixed-Halide Perovskites via Surface Passivation

We control surface recombination in the mixed-cation, mixed-halide perovskite, FA0.83Cs0.17Pb(I0.85Br0.15)3, by passivating nonradiative defects with the polymerizable Lewis base (3-aminopropyl)trimethoxysilane (APTMS). We demonstrate average minority carrier lifetimes >4 µs, nearly single exponential monomolecular photoluminescence decays, and high external photoluminescence quantum efficiencies (>20%, corresponding to ~97% of the maximum theoretical quasi-Fermi-level splitting) at low excitation fluence. We confirm both the composition and valence band edge position of the FA0.83Cs0.17Pb(I0.85Br0.15)3 perovskite using multi-institutional, cross-validated, X-ray photoelectron spectroscopy and UV photoelectron spectroscopy measurements. We extend the APTMS surface passivation to higher bandgap double-cation (FA and Cs) compositions (1.7, 1.75, and 1.8 eV) as well as the widely used triple-cation (FA, MA, and Cs) composition. Finally, we demonstrate that the average surface recombination velocity decreases from ~1000 to ~10 cm/s post APTMS passivation for FA0.83Cs0.17Pb(I0.85Br0.15)3. Our results demonstrate that surface-mediated recombination is the primary nonradiative loss pathway in many methylammonium (MA)-free mixed-cation mixed-halide films with a range of different bandgaps, which is a problem observed for a wide range of perovskite active layers and reactive electrical contacts. Our study also provides insights to develop passivating molecules that help reduce surface recombination in MA-free mixed-cation mixed-halide films and indicates that surface passivation and contact engineering will enable near-theoretical device efficiencies with these materials.

14 SOLAR ENERGY↗

An atlas of monthly mean distributions of SSMI surface wind speed, AVHRR/2 sea surface temperature, AMI surface wind velocity, TOPEX/POSEIDON sea surface height, and ECMWF surface wind velocity during 1993

The following monthly mean global distributions for 1993 are presented with a common color scale and geographical map: 10-m height wind speed estimated from the Special Sensor Microwave Imager (SSMI) on a United States (U.S.) Air Force Defense Meteorological Satellite Program (DMSP) spacecraft; sea surface temperature estimated from the Advanced Very High Resolution Radiometer (AVHRR/2) on a U.S. National Oceanic and Atmospheric Administration (NOAA) satellite; 10-m height wind speed and direction estimated from the Active Microwave Instrument (AMI) on the European Space Agency (ESA) European Remote Sensing (ERS-1) satellite; sea surface height estimated from the joint U.S.-France Topography Experiment (TOPEX)/POSEIDON spacecraft; and 10-m height wind speed and direction produced by the European Center for Medium-Range Weather Forecasting (ECMWF). Charts of annual mean, monthly mean, and sampling distributions are displayed.

Halpern, D.↗

An atlas of monthly mean distributions of GEOSAT sea surface height, SSMI surface wind speed, AVHRR/2 sea surface temperature, and ECMWF surface wind components during 1988

Monthly mean global distributions for 1988 are presented with a common color scale and geographical map. Distributions are included for sea surface height variation estimated from GEOSAT; surface wind speed estimated from the Special Sensor Microwave Imager on the Defense Meteorological Satellite Program spacecraft; sea surface temperature estimated from the Advanced Very High Resolution Radiometer on NOAA spacecrafts; and the Cartesian components of the 10m height wind vector computed by the European Center for Medium Range Weather Forecasting. Charts of monthly mean value, sampling distribution, and standard deviation value are displayed. Annual mean distributions are displayed.

Halpern, D.↗

'The surface management system' (SuMS) database: a surface-based database to aid cortical surface reconstruction, visualization and analysis

Surface reconstructions of the cerebral cortex are increasingly widely used in the analysis and visualization of cortical structure, function and connectivity. From a neuroinformatics perspective, dealing with surface-related data poses a number of challenges. These include the multiplicity of configurations in which surfaces are routinely viewed (e.g. inflated maps, spheres and flat maps), plus the diversity of experimental data that can be represented on any given surface. To address these challenges, we have developed a surface management system (SuMS) that allows automated storage and retrieval of complex surface-related datasets. SuMS provides a systematic framework for the classification, storage and retrieval of many types of surface-related data and associated volume data. Within this classification framework, it serves as a version-control system capable of handling large numbers of surface and volume datasets. With built-in database management system support, SuMS provides rapid search and retrieval capabilities across all the datasets, while also incorporating multiple security levels to regulate access. SuMS is implemented in Java and can be accessed via a Web interface (WebSuMS) or using downloaded client software. Thus, SuMS is well positioned to act as a multiplatform, multi-user 'surface request broker' for the neuroscience community.

NASA Discipline Neuroscience↗

Thermodynamics of electrolyte solutions near charged surfaces: Constant surface charge vs constant surface potential

Electric double layers are ubiquitous in science and engineering and are of current interest, owing to their applications in the stabilization of colloidal suspensions and as supercapacitors. While the structure and properties of electric double layers in electrolyte solutions near a charged surface are well characterized, there are subtleties in calculating thermodynamic properties from the free energy of a system with charged surfaces. These subtleties arise from the difference in the free energy between systems with constant surface charge and constant surface potential. In this work, we present a systematic, pedagogical framework to properly account for the different specifications on charged bodies in electrolyte solutions. Our approach is fully variational—that is, all free energies, boundary conditions, relevant electrostatic equations, and thermodynamic quantities are systematically derived using variational principles of thermodynamics. We illustrate our approach by considering a simple electrolyte solution between two charged surfaces using the Poisson–Boltzmann theory. Our results highlight the importance of using the proper thermodynamic potential and provide a general framework for calculating thermodynamic properties of electrolyte solutions near charged surfaces. Specifically, we present the calculation of the pressure and the surface tension between two charged surfaces for different boundary conditions, including mixed boundary conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface and sub-surface porosity effects on the initial free surface expansion in shocked single crystal aluminum

Defects and roughness at a material’s surface can allow for the formation of a material jet when a shockwave reaches a surface. The formation of a jet can lead to significant material damage of the shocked material, as well as the downstream material that the jet impacts. Here, we utilize planar shocks in single crystal aluminum to assess initial jetting formation for surface notches and sub-surface porosity. In the case of surface notches, we find that changing the width of the notch can cause the shock breakout response to transition from a standard jetting mechanism to an atomic atomization at high velocities. This transition occurs due to the mechanisms associated with lateral relaxations within the notch and how this interacts with the shock focusing event that induces jetting. For sub-surface pores, the pore collapse induces a re-shock, localized near the pore, that is stronger than the initial shock, but unsupported. Changing the pore dimensions and location relative to the surface influences the strength of the shock that emanates from its collapse when it reaches the surface, leading to a variety of different breakout conditions including jetting and localized material failure.

36 MATERIALS SCIENCE↗

Surface Segregation in Multicomponent Systems: Modeling of Surface Alloys and Alloy Surfaces

The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.

Bozzolo, Guillermo↗

Reference Cell Performance and Modeling on a One-Axis Tracking Surface: Preprint

Performance of five silicon-based reference cells is examined on a single-axis tracking surface. The reference cells' output are modeled using one-minute sampled spectral irradiance and reference cell temperature measurements. The model also incorporates spectral responsivity data for the reference cell. The transmission of light through the glazing multiplies the sum over all appropriate wavelengths of temperature adjusted reference cell responsivity times the measured spectral irradiance. Modeled reference cell output is compared with measured reference cell output under clear sky and totally cloudy sky conditions. For each reference cell the ratio of modeled to measured output varies by less than 2% over the year.

modeling↗

Transformation of surface albedo to surface: Atmosphere surface and irradiance, and their spectral and temporal averages

The dependence of the albedo at the top of a realistic atmosphere upon the surface albedo, solar zenith angle, and cloud optical thickness is examined for the cases of clear sky, total cloud cover, and fractional cloud cover. The radiative transfer calculations of Dave and Braslau (1975) for particular values of surface albedo and solar zenith angle, and a single value of cloud optical thickness are used as the basis of a parametric albedo model. The question of spectral and temporal averages of albedos and reflected irradiances is addressed, and unique weighting functions for the spectral and temporal albedo averages are developed.

Nack, M. L.↗

Comparison of Different Global Information Sources Used in Surface Radiative Flux Calculation: Radiative Properties of the Surface

Direct estimates of surface radiative fluxes that resolve regional and weather-scale variabilty over the whole globe with reasonable accuracy have only become possible with the advent of extensive global, mostly satellite, datasets within the past couple of decades. The accuracy of these fluxes, estimated to be about 10-15 W per square meter is largely limited by the accuracy of the input datasets. The leading uncertainties in the surface fluxes are no longer predominantly induced by clouds but are now as much associated with uncertainties in the surface and near-surface atmospheric properties. This study presents a fuller, more quantitative evaluation of the uncertainties for the surface albedo and emissivity and surface skin temperatures by comparing the main available global datasets from the Moderate-Resolution Imaging Spectroradiometer product, the NASA Global Energy and Water Cycle Experiment Surface Radiation Budget project, the European Centre for Medium-Range Weather Forecasts, the National Aeronautics and Space Administration, the National Centers for Environmental Prediction, the International Satellite Cloud Climatology Project (ISCCP), the Laboratoire de Meteorologie Dynamique, NOAA/NASA Pathfinder Advanced Very High Resolution Radiometer project, NOAA Optimum Interpolation Sea Surface Temperature Analysis and the Tropical Rainfall Measuring Mission (TRMM) Microwave Image project. The datasets are, in practice, treated as an ensemble of realizations of the actual climate such that their differences represent an estimate of the uncertainty in their measurements because we do not possess global truth datasets for these quantities. The results are globally representative and may be taken as a generalization of our previous ISCCP-based uncertainty estimates for the input datasets. Surface properties have the primary role in determining the surface upward shortwave (SW) and longwave (LW) flux. From this study, the following conclusions are obtained. Although land surface albedos in the near near-infrared remain poorly constrained (highly uncertain), they do not cause too much error in total surface SW fluxes; the more subtle regional and seasonal variations associated with vegetation and snow are still on doubt. The uncertainty of the broadband black-sky SW albedo for land surface from this study is about 7%, which can easily induce 5-10 W per square meter uncertainty in (upwelling) surface SW flux estimates. Even though available surface (broadband) LW emissivity datasets differ significantly (3%-5% uncertainty), this disagreement is confined to wavelengths greater than 20 micrometers so that there is little practical effect (1-3 W per square meters) on the surface upwelling LW fluxes. The surface skin temperature is one of two leading factors that cause problems with surface LW fluxes. Even though the differences among the various datasets are generally only 2-4 K, this can easily cause 10-15 W per square meter uncertainty in calculated surface (upwelling) LW fluxes. Significant improvements could be obtained for surface LW flux calculations by improving the retrievals of (in order of decreasing importance): (1) surface skin temperature, (2) surface air and near-surface-layer temperature, (3) column precipitable water amount and (4) broadband emissivity. And for surface SW fluxes, improvements could be obtained (excluding improved cloud treatment) by improving the retrievals of (1) aerosols (from our sensitivity studies but not discussed in this work), and (2) surface (black-sky) albedo, of which, NIR part of the spectrum has much larger uncertainty.

Zhang, Yuanchong↗

SURFACE FINISHING AND ELECTROLESS NICKEL PLATING OF ADDITIVELY MANUFACTURED (AM) METAL COMPONENTS

This study investigates the application of electroless nickel deposition on additively manufactured stainless steel samples. Current additive manufacturing (AM) technologies produce metal components with a rough surface. Rough surfaces generally exhibit fatigue characteristics, increasing the probability of initiating a crack or fracture to the printed part. For this reason, the direct use of as-produced parts in a finished product cannot be actualized, which presents a challenge. Post-processing of the AM parts is therefore required to smoothen the surface. This study analyzes chempolish (CP) and electropolish (EP) surface finishing techniques for post-processing AM stainless steel components CP has a great advantage in creating uniform, smooth surfaces regardless of size or part geometry EP creates an extremely smooth surface, which reduces the surface roughness to the sub-micrometer level. In this study, we also investigate nickel deposition on EP, CP, and as-built AM components using electroless nickel solutions. Electroless nickel plating is a method of alloy treatment designed to increase manufactured component's hardness and surface resistance to the unrelenting environment. The electroless nickel plating process is more straightforward than its counterpart electroplating.. We use low-phosphorus (2-5% P), medium-phosphorus (6-9% P), and high-phosphorus (10-13% P). These Ni deposition experiments were optimized using the L9 Taguchi design of experiments (TDOE), which compromises the prosperous content in the solution, surface finish, plane of the geometry, and bath temperature. The pre-and post-processed surface of the AM parts was characterized by KEYENCE Digital MicroscopeVHX-7000 and Phenom XL Desktop SEM. The experimental results show that electroless nickel deposition produces uniform Ni coating on the additively manufactured components up to 20 μm per hour. Mechanical properties of as-built and Ni coated AM samples were analyzed by applying a standard 10 N scratch test. Nickel coated AM samples were up to two times scratch resistant compared to the as-built samples. This study suggests electroless nickel plating is a robust viable option for surface hardening and finishing AM components for various applications and operating conditions.

Keywords: additive manufacturing, fatigue, chempol↗

Surface stability and H adsorption and diffusion near surfaces of W borides: a first-principles study

Abstract Understanding the behavior of tungsten boride (W x B y ) surfaces in a fusion reactor environment is an important topic since boronization is a common wall conditioning method used in fusion Tokamaks. We report the results of density functional theory calculations that investigate the surface stability of W x B y (tetragonal I4 1 /amd -WB, hexagonal P 6 3 / mmc -WB 2 and tetragonal I4/m- W 2 B) with low-index orientations, as well as hydrogen (H) energetics near W x B y surfaces. For single element terminated W x B y surfaces, B terminated surfaces are more energetically stable than W terminated as a result of significant reconstruction of B. The H surface adsorption energy and activation energy of H diffusion penetration below W x B y surfaces are mainly related to the outer termination. Specifically, the WB(001) surface terminated with two B layers, referred to as WB(001)-T BB , has higher H adsorption affinity and lower H diffusivity on this surface than other terminations, which is controlled by the significant charge transfer from B to H. However, B atoms on the WB 2 (0001)-T BB surface decrease both H adsorption and diffusivity on the surface, but enhance H diffusion below the surface in comparison to W terminated WB 2 (0001) surface. H would be trapped and diffuse within atomic surface gaps on the WB 2 ( 2 1 ˉ 1 ˉ 0 ) surface, while H below the surface layer would jump along the [0001] direction rather than diffuse into bulk. The surface diffusion activation energy of H on the W 2 B(001) surface slightly varies with terminations. Once H crosses the surface layer of W 2 B(001) with either termination, it prefers to diffuse into the bulk, or back towards the surface, rather than move parallel to the surface. Interestingly, WB 2 (0001) and WB 2 ( 2 1 ˉ 1 ˉ 0 ) surfaces will have relatively higher H retention than the other W x B y surfaces evaluated in this work.

Yang, L. (ORCID:0000000322166071)↗

Machine Learning for Improving Surface-Layer-Flux Estimates

Abstract Flows in the atmospheric boundary layer are turbulent, characterized by a large Reynolds number, the existence of a roughness sublayer and the absence of a well-defined viscous layer. Exchanges with the surface are therefore dominated by turbulent fluxes. In numerical models for atmospheric flows, turbulent fluxes must be specified at the surface; however, surface fluxes are not known a priori and therefore must be parametrized. Atmospheric flow models, including global circulation, limited area models, and large-eddy simulation, employ Monin–Obukhov similarity theory (MOST) to parametrize surface fluxes. The MOST approach is a semi-empirical formulation that accounts for atmospheric stability effects through universal stability functions. The stability functions are determined based on limited observations using simple regression as a function of the non-dimensional stability parameter representing a ratio of distance from the surface and the Obukhov length scale (Obukhov in Trudy Inst Theor Geofiz AN SSSR 1:95–115, 1946), $$z/L$$ z / L . However, simple regression cannot capture the relationship between governing parameters and surface-layer structure under the wide range of conditions to which MOST is commonly applied. We therefore develop, train, and test two machine-learning models, an artificial neural network (ANN) and random forest (RF), to estimate surface fluxes of momentum, sensible heat, and moisture based on surface and near-surface observations. To train and test these machine-learning algorithms, we use several years of observations from the Cabauw mast in the Netherlands and from the National Oceanic and Atmospheric Administration’s Field Research Division tower in Idaho. The RF and ANN models outperform MOST. Even when we train the RF and ANN on one set of data and apply them to the second set, they provide more accurate estimates of all of the fluxes compared to MOST. Estimates of sensible heat and moisture fluxes are significantly improved, and model interpretability techniques highlight the logical physical relationships we expect in surface-layer processes.

Meteorology & Atmospheric Sciences↗

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗

Surface Energies of LaMnO 3 High-Index Surfaces Obtained from Density-Functional Theory

Here, the first six cubic LaMnO 3 high-index surfaces, (210), (211), (221), (310), (311), and (320), are examined for the first time. The unrelaxed and relaxed surface energies of the surfaces are computed as a function of surface model thickness using unrelaxed and relaxed surface models, respectively. The (210), (320), (211), and (221) surfaces are found to be more stable than the low-index (011) and (111) surfaces. Helping to explain this result, the surface terminations of the (210), (320), (211), or (221) surface are seen to exhibit a rotational relaxation of the MnO 6 or oxygen octahedra extending from the surface into the bulk. By contrast, the relaxed surface energies of the (310) and (311) surfaces are concluded to be difficult to determine due to a structural transformation or phase change in the surface models of the surfaces away from cubic LaMnO 3 . The finding of a phase change is important. It indicates that a phase change in the surface models of a surface for another material could occur if the surface is relatively open and a different phase of the material is stable at low temperature. When modeling such a surface, two steps are suggested to be taken.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying the Impacts of Land Surface Modeling on Hub-Height Wind Speed under Different Soil Conditions

We investigate the impact of three land surface models (LSMs) on hub-height wind speed under three different soil regimes (dry, wet, and frozen) to understand and improve the physics of wind energy forecasts using the Weather Research and Forecasting (WRF) model. A six-day representative period is selected for each soil condition. The simulated wind speed, surface energy budget and soil properties are compared with the observations collected from the second Wind Forecast Improvement Project (WFIP2). For the selected cases, our simulation results suggest that, the impact of LSMs on hub-height wind speed are sensitive to the soil states but not so much to the choice of LSM. The simulated hub-height wind speed is in much better agreement with the observations for the dry soil case than the wet and frozen soil cases. Over the dry soil, there is a strong physical connection between the land surface and hub-height wind speed through near-surface turbulent mixing. Over the wet soil, the simulated hub-height wind speed is less impacted by land surface due to weaker surface fluxes and more dominated by large-scale synoptic disturbances. Over the frozen soil, the land surface model seems to have limited impact on hub-height wind speed variability due to the decoupling of the land surface with the overlying atmosphere. Two main sources of modeling uncertainties are proposed. The first are the insufficient model physics representing the surface energy budget, especially the ground heat flux, and the second are the inaccurate initial soil states such as soil temperature and soil moisture.

Xia, Geng↗

An atlas of monthly mean distributions of SSMI surface wind speed, ARGOS buoy drift, AVHRR/2 sea surface temperature, and ECMWF surface wind components during 1990

The following monthly mean global distributions for 1990 are proposed with a common color scale and geographical map: 10-m height wind speed estimated from the Special Sensor Microwave Imager (SSMI) on a United States (US) Air Force Defense Meteorological Satellite Program (DMSP) spacecraft; sea surface temperature estimated from the advanced very high resolution radiometer (AVHRR/2) on a U.S. National Oceanic and Atmospheric Administration (NOAA) spacecraft; Cartesian components of free drifting buoys which are tracked by the ARGOS navigation system on NOAA satellites; and Cartesian components on the 10-m height wind vector computed by the European Center for Medium-Range Weather Forecasting (ECMWF). Charts of monthly mean value, sampling distribution, and standard deviation values are displayed. Annual mean distributions are displayed.

Halpern, D.↗

An atlas of monthly mean distributions of SSMI surface wind speed, ARGOS buoy drift, AVHRR/2 sea surface temperature, and ECMWF surface wind components during 1991

The following monthly mean global distributions for 1991 are presented with a common color scale and geographical map: 10-m height wind speed estimated from the Special Sensor Microwave Imager (SSMI) on a United States Air Force Defense Meteorological Satellite Program (DMSP) spacecraft; sea surface temperature estimated from the advanced very high resolution radiometer (AVHRR/2) on a U.S. National Oceanic and Atmospheric Administration (NOAA) spacecraft; Cartesian components of free-drifting buoys which are tracked by the ARGOS navigation system on NOAA satellites; and Cartesian components of the 10-m height wind vector computed by the European Center for Medium-Range Weather Forecasting (ECMWF). Charts of monthly mean value, sampling distribution, and standard deviation value are displayed. Annual mean distributions are displayed.

Halpern, D.↗