SEARCH · Search NASA

Results for “Surface process complexity”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Evaluation of Model Summertime Boundary Layer Cloud Development over Complex Terrain in New York State

Weather forecasting over complex terrain with diverse land cover is challenging. Utilizing the high-resolution observations from New York State Mesonet (NYSM), we are able to evaluate the surface processes of the Weather Research Forecast (WRF) Model in a detailed, scale-dependent manner. Here, in the study, possible impacts of land–atmosphere interaction on surface meteorology and boundary layer cloud development are investigated with different model resolutions, land surface models (LSMs), and planetary boundary layer (PBL) physical parameterizations. The High-Resolution Rapid Refresh, version 3 (HRRR), forecasting model is used as a reference for the sensitivity evaluation. Results show that over complex terrain, the high-resolution simulations (1 km × 60 vertical levels) generally perform better compared to low-resolution (3 km × 50 levels) in both surface meteorology and cloud fields. LSMs play a more important role in surface meteorology compared to PBL schemes. The NoahMP land surface model exhibits daytime warmer and drier biases compared to the Rapid Update Cycle (RUC) due to better prediction of the Bowen ratio in RUC. The PBL schemes would affect the convective strength in the boundary layer. The Shin–Hong (SH) scale-aware scheme tends to produce the strongest convective strength in the PBL, while the ACM2 PBL scheme rarely resolved convection even at 1-km resolution. By considering the radiation effect of subgrid-scale (SGS) clouds, the Mellor–Yamada–Nakanishi–Niino eddy diffusivity mass flux (MYNN-EDMF) predicted the highest cloud coverage and lowest surface solar radiation bias. The configuration of SGS clouds in MYNN-EDMF would not only significantly reduce shortwave radiation bias, but also affect the convection behaviors through land surface–cloud–radiation interaction.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2013

Terrestrial Analog Field Investigations to Enable Science and Exploration Studies of Impacts and Volcanism on the Moon, NEAs, and Moons of Mars

Terrestrial analog studies are a critical component for furthering our understanding of geologic processes on the Moon, near-Earth asteroids (NEAs), and the moons of Mars. Carefully chosen analog sites provide a unique natural laboratory with high relevance to the associated science on these solar system target bodies. Volcanism and impact cratering are fundamental processes on the Moon, NEAs, and Phobos and Deimos. The terrestrial volcanic and impact records remain invaluable for our understanding of these processes throughout our solar system, since these are our primary source of firsthand knowledge on volcanic landform formation and modification as well as the three-dimensional structural and lithological character of impact craters. Regarding impact cratering, terrestrial fieldwork can help us to understand the origin and emplacement of impactites, the history of impact bombardment in the inner Solar System, the formation of complex impact craters, and the effects of shock on planetary materials. Volcanism is another dominant geologic process that has significantly shaped the surface of planetary bodies and many asteroids. Through terrestrial field investigations we can study the processes, geomorphic features and rock types related to fissure eruptions, volcanic constructs, lava tubes, flows and pyroclastic deposits. Also, terrestrial analog studies have the advantage of enabling simultaneous robotic and/or human exploration testing in a low cost, low risk, high fidelity environment to test technologies and concepts of operations for future missions to the target bodies. Of particular interest is the importance and role of robotic precursor missions prior to human operations for which there is little to no actual mission experience to draw upon. Also critical to understanding new worlds is sample return, and analog studies enable us to develop the appropriate procedures for collecting samples in a manner that will best achieve the science objectives.

complex impact craters↗

DOE OSTI2025

Surface preparation method for investigating the three-dimensional electronic structure of perovskite nickelates

The investigation of the electronic structures on perovskite oxides using surface-sensitive spectroscopy techniques is often hindered by their “uncleavable” nature, typically requiring expensive and complex in situ experimental setups that integrate the capabilities of sample synthesis and spectroscopy measurement under ultrahigh vacuum condition. Here, we address this challenge by developing an ozone-annealing process that yields atomically flat surfaces on perovskite oxide thin films, making them suitable for high-resolution angle-resolved photoemission spectroscopy measurements. Using this method, we present a three-dimensional electronic structure study of Nd 1−𝑥 ⁢Sr 𝑥 ⁢NiO 3 (𝑥=0 and 0.175) thin films with unprecedented accuracy. The experimentally determined low-energy fermiology exhibits quantitative agreements with two-band tight-binding simulations, which is further validated by first-principles calculations considering the material's actual crystal structure. This work provides an accessible approach for ex situ ARPES measurements on perovskite oxides and other strongly correlated oxides, including the recently discovered high-𝑇 c nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Importance of Spatially Continuous Urban Surface Properties in Urban‐Resolving Earth System Modeling

Accurate representation of urban properties and processes at higher resolutions in global modeling systems is essential for advancing our ability to capture the complexities of urban systems and informing effective resilience strategies. However, the prescription of coarse global-scale urban properties in most state-of-the-art Earth system models (ESMs) is limiting their potential for capturing urban signals as they advance toward kilometer-scale simulation capabilities. To bridge this gap in inadequate urban property representation and to advance urban-resolving Earth system modeling, this work integrates the newly-developed global 1 km-resolution facet-level urban surface property data set, U-Surf, into the land component of Community Earth System Model (CESM)—Community Terrestrial System Model (CTSM). The land-only CTSM simulations are validated against satellite measurements, ground-based urban weather stations, flux tower observations, and reanalysis data. Results demonstrate that the enhanced urban properties allow improved simulations of urban meteorology and surface energy fluxes compared to the default coarse-resolution categorical urban canopy parameters. Spatial scaling analysis reveals regime-dependent information loss during resolution aggregation, as well as substantial scale-dependent variations in urban surface energy flux representation. Furthermore, these findings have critical implications for coupled Earth system modeling when including the effect of land-atmosphere interaction. This work establishes a foundation for future urban-resolving kilometer-scale ESM development, which will enable systematic intra- and inter-city comparisons that inform urban adaptation strategies across diverse global urban environments.

Cheng, Yifan [University of Illinois Urbana-Champa↗

NASA NTRS2022

On the paragenetic modes of minerals: A mineral evolution perspective

A systematic survey of 57 different paragenetic modes distributed among 5659 mineral species reveals patterns in the diversity and distribution of minerals related to their evolving formational environments. The earliest minerals in stellar, nebular, asteroid, and primitive Earth contexts were dominated by relatively abundant chemical elements, notably H, C, O, Mg, Al, Si, S, Ca, Ti, Cr, and Fe. Significant mineral diversification subsequently occurred via two main processes, first through gradual selection and concentration of rarer elements by fluid-rock interactions (for example, in hydrothermal metal deposits, complex granite pegmatites, and agpaitic rocks), and then through near-surface biologically mediated oxidation and weathering. We find that 3349 mineral species (59.2%) are known from only one paragenetic context, whereas another 1372 species (24.2%) are associated with two paragenetic modes. Among the most genetically varied minerals are pyrite, albite, hornblende, corundum, magnetite, calcite, hematite, rutile, and baryte, each with 15 or more known modes of formation. Among the most common paragenetic modes of minerals are near-surface weathering/oxidation (1998 species), subsurface hydrothermal deposition (859 species), and condensation at volcanic fumaroles (459 species). In addition, many species are associated with compositionally extreme environments of highly differentiated igneous lithologies, including agpaitic rocks (726 species), complex granite pegmatites (564 species), and carbonatites and related carbonate-bearing magmas (291 species). Biological processes lead to at least 2707 mineral species, primarily as a consequence of oxidative weathering but also through coal-related and other taphonomic minerals (597 species), as well as anthropogenic minerals, for example as byproducts of mining (603 minerals). However, contrary to previous estimates, we find that only ~34% of mineral species form exclusively as a consequence of biological processes. By far the most significant factor in enhancing Earth’s mineral diversity has been its dynamic hydrological cycle. At least 4583 minerals—81% of all species—arise through water-rock interactions. A timeline for mineral-forming events suggests that much of Earth’s mineral diversity was established within the first 250 million years. If life is rare in the universe, then this view of a mineralogically diverse early Earth provides many more plausible reactive pathways over a longer timespan than previous models. If, however, life is a cosmic imperative that emerges on any mineral- and water-rich world, then these findings support the hypothesis that life on Earth developed rapidly in the early stages of planetary evolution

Robert M. Hazen↗

DOE OSTI2023

Foundations of machine learning for low-temperature plasmas: methods and case studies

Abstract Machine learning (ML) and artificial intelligence have proven to be an invaluable tool in tackling a vast array of scientific, engineering, and societal problems. The main drivers behind the recent proliferation of ML in practically all aspects of science and technology can be attributed to: (a) improved data acquisition and inexpensive data storage; (b) exponential growth in computing power; and (c) availability of open-source software and resources that have made the use of state-of-the-art ML algorithms widely accessible. The impact of ML on the field of low-temperature plasmas (LTPs) could be particularly significant in the emerging applications that involve plasma treatment of complex interfaces in areas ranging from the manufacture of microelectronics and processing of quantum materials, to the LTP-driven electrification of the chemical industry, and to medicine and biotechnology. This is primarily due to the complex and poorly-understood nature of the plasma-surface interactions in these applications that pose unique challenges to the modeling, diagnostics, and predictive control of LTPs. As the use of ML is becoming more prevalent, it is increasingly paramount for the LTP community to be able to critically analyze and assess the concepts and techniques behind data-driven approaches. To this end, the goal of this paper is to provide a tutorial overview of some of the widely-used ML methods that can be useful, amongst others, for discovering and correlating patterns in the data that may be otherwise impractical to decipher by human intuition alone, for learning multivariable nonlinear data-driven prediction models that are capable of describing the complex behavior of plasma interacting with interfaces, and for guiding the design of experiments to explore the parameter space of plasma-assisted processes in a systematic and resource-efficient manner. We illustrate the utility of various supervised, unsupervised and active learning methods using LTP datasets consisting of commonly-available, information-rich measurements (e.g. optical emission spectra, current–voltage characteristics, scanning electron microscope images, infrared surface temperature measurements, Fourier transform infrared spectra). All the ML demonstrations presented in this paper are carried out using open-source software; the datasets and codes are made publicly available. The FAIR guiding principles for scientific data management and stewardship can accelerate the adoption and development of ML in the LTP community.

Physics↗

DOE OSTI2026

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗

DOE OSTI2021

Solvation vs. surface charge transfer: an interfacial chemistry game drives cation motion

Electrolyte structure and ion solvation dynamics determine ionic conductivities, and ion (de)solvation processes dominate interfacial chemistry and electrodeposition barriers. In this work, we elucidate electrolyte effects facilitating or impeding Li + diffusion and deposition, and evaluate structural and energetic changes during the solvation complex pathway from the bulk to the anode surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

In Situ Chemical Monitoring and Imaging of Contents within Microfluidic Devices Having a Porous Membrane Wall Using Liquid Microjunction Surface Sampling Probe Mass Spectrometry

The ability to observe dynamic chemical processes (e.g., signaling, transport, etc.) in vivo or in situ using nondestructive chemical imaging opens a new door to understanding the complex dynamics of developing biological systems. With the advent of “biology-on-a-chip” devices has come the ability to monitor dynamic chemical processes in a controlled environment, using these engineered habitats to capture key features of natural systems while allowing visual observation of system development. Having the capability to spatially and temporally map the chemical signals within these devices may yield new insights into the forces that drive biosystem development. Here, a porous membrane sealed microfluidic device was designed to allow normal microfluidic operation while enabling continuous, location specific sampling and chemical characterization by liquid microjunction surface sampling probe mass spectrometry (LMJ-SSP MS). LMJ-SSP was used to extract fluids with nL-to-μL/min flow rates directly from selected areas of the microfluidic device without negatively impacting the device function. These extracts were subsequently characterized using MS. This technique was used to acquire MS images of the entirety of several multi-input microfluidic devices having different degrees of fluid mixing. LMJ-SSP MS imaging visualized the spatial distribution of chemical components within the microfluidic channels and could visualize chemical reactions occurring in the device. These microfluidic devices with a porous membrane wall are wholly compatible with the construction of biology-on-a-chip devices. This ultimately would enable correlation of biosystem physical structure with an evolving chemical environment

47 OTHER INSTRUMENTATION↗

NASA NTRS2009

Astrochemical Modeling In the ALMA Era

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates, that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too slow by the standards of terrestrial chemistry, can be observed' and modeled. Various proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on grain surfaces can, in principle, lead to a large variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build large species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various sources to be observed by ALMA will be outlined.

Charnley, Steven↗

NASA NTRS2009

Theoretical Models of Astrochemical Processes

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates. that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too sloe by the standards of terrestrial chemistry, can be 'observed and modeled. Curious proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on "rain surfaces can, in principle, lead to a lame variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build lame species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various astronomical sources to be observed by Herschel and ALMA will be outlined.

Charnley, Steven↗

NASA NTRS2012

Theoretical Models of Astrochemical Processes

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates, that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too slow by the standards of terrestrial chemistry, can be 'observed' and modeled. Various proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on grain surfaces can, in principle, lead to a large variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build large species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various astronomical sources to be observed by Herschel and ALMA will be outlined

Charnley, Steven B.↗

NASA NTRS1979

Fundamental mechanisms that influence the estimate of heat transfer to gas turbine blades

Heat tranfer problems in aircraft gas turbines required for improved prediction of turbine blade or vane gas-side heat transfer are examined. Estimates of the heat transfer from the gas to vanes or rotating blades are uncertain due to the complexity of the heat transfer processes, since the gas flow is three dimensional with complex secondary viscous flow patterns that interact with the endwalls and blade surfaces. In addition, upstream disturbances, stagnation flow, curvature effects, and flow acceleration complicate the thermal transport mechanisms in the boundary layers. The thermal state and flow characteristics of the hot gases that enter the turbine blade row, analytical methods for calculating the gas-side heat transfer to turbine blades, and flow phenomena such as stagnation, curvature effects, acceleration, secondary flows, and transition that influences local heat transfer rates are discussed.

Graham, R. W.↗

NASA NTRS1987

Navier Stokes solution of the flowfield over ice accretion shapes

The numerical simulation of flow about ice accretion shapes has been accomplished by solving the Navier-Stokes equations using MacCormack's explicit finite difference scheme. The computations were performed on a CRAY-XMP computer. The influence of turbulence is taken into account by means of an algebraic eddy-viscosity model. In order to optimize the grid spacing and to achieve near orthogonality at the surface of the complex ice shapes, a hyperbolic grid generation scheme is utilized. Particular attention is given to the heat transfer process for which good agreement between the numerical and experimental results is achieved. In addition, liquid water droplet trajectories are coupled within the flowfield along with the resulting collection efficiencies using a parabolized Navier-Stokes formulation.

Scott, J. N.↗

NASA NTRS1989

Reflectance characteristics and surface processes in stabilized dune environments

Analysis of multitemporal TM data for three environmentally related field areas yields information on the response characteristics of stabilized dunes and desert-fringe environments. The three field sites studied include dune fields in Egypt, Mali, and Botswana, ranging in climate from hyperarid to semiarid, and may be classed as an environmental series relating surface processes under Saharan, Sahelian, and Savanna conditions. Sites were field mapped and monitored with TM data for lengths of time up to a year. The complexity of spectral response characteristics is greatest where vegetation is dense and diverse, but study of the three environments together places constraints on the importance of vegetation to spectral response as well as to mechanisms of sand transport. In both Mali and Botswana, the Sahelian and Savanna environments, contrast reversals occur on dune crests and reflectance patterns change through the dry season to resemble the response curves of the hyperarid study site in Egypt. In these analyses, overall surface brightness is controlled by sand composition, while spectral features are controlled by vegetation dynamics.

Jacobberger, P. A.↗

NASA NTRS1996

Process Model for Friction Stir Welding

Friction stir welding (FSW) is a relatively new process being applied for joining of metal alloys. The process was initially developed by The Welding Institute (TWI) in Cambridge, UK. The FSW process is being investigated at NASA/MSEC as a repair/initial weld procedure for fabrication of the super-light-weight aluminum-lithium shuttle external tank. The FSW investigations at MSFC were conducted on a horizontal mill to produce butt welds of flat plate material. The weldment plates are butted together and fixed to a backing plate on the mill bed. A pin tool is placed into the tool holder of the mill spindle and rotated at approximately 400 rpm. The pin tool is then plunged into the plates such that the center of the probe lies at, one end of the line of contact, between the plates and the shoulder of the pin tool penetrates the top surface of the weldment. The weld is produced by traversing the tool along the line of contact between the plates. A lead angle allows the leading edge of the shoulder to remain above the top surface of the plate. The work presented here is the first attempt at modeling a complex phenomenon. The mechanical aspects of conducting the weld process are easily defined and the process itself is controlled by relatively few input parameters. However, in the region of the weld, plasticizing and forging of the parent material occurs. These are difficult processes to model. The model presented here addresses only variations in the radial dimension outward from the pin tool axis. Examinations of the grain structure of the weld reveal that a considerable amount of material deformation also occurs in the direction parallel to the pin tool axis of rotation, through the material thickness. In addition, measurements of the axial load on the pin tool demonstrate that the forging affect of the pin tool shoulder is an important process phenomenon. Therefore, the model needs to be expanded to account for the deformations through the material thickness and the forging affect of the shoulder. The energy balance at the boundary of the plastic region with the environment required that energy flow away from the boundary in both radial directions. One resolution to this problem may be to introduce a time dependency into the process model, allowing the energy flow to oscillate across this boundary. Finally, experimental measurements are needed to verify the concepts used here and to aid in improving the model.

Adams, Glynn↗

NASA NTRS1989

Fast molecular shocks. I - Reformation of molecules behind a dissociative shock

The physical and chemical processes that operate in the cooling gas behind a fast, dissociative, single-fluid shock propagating in a dense interstellar cloud are discussed. The treatment extends previous theoretical work on fast molecular shocks by including the effects of the conversion of Ly-alpha photons into radiation of the two-photon continuum and into H2 Lyman band emission lines, the effects of CO photodissociation following line absorption, and the formation and destruction of molecules containing the elements nitrogen, silicon, and sulphur, and of the complex hydrocarbons. Abundance profiles for the molecular species of interest are presented. After molecular hydrogen begins to reform, by means of gas phase and grain surface processes, the neutral species OH, H2O, O2, CO, CN, HCN, N2, NO, SO, and SiO reach substantial abundances. The molecular ions HeH(+), OH(+), SO(+), CH(+), H2(+), and H3(+), are produced while the gas is still hot and partially ionized. Emissions from them provide a possible diagnostic probe of fast molecular shocks.

Neufeld, David A.↗

DOE OSTI2020

Programming van der Waals interactions with complex symmetries into microparticles using liquid crystallinity

Asymmetric interactions such as entropic (e.g., encoded by nonspherical shapes) or surface forces (e.g., encoded by patterned surface chemistry or DNA hybridization) provide access to functional states of colloidal matter, but versatile approaches for engineering asymmetric van der Waals interactions have the potential to expand further the palette of materials that can be assembled through such bottom-up processes. We show that polymerization of liquid crystal (LC) emulsions leads to compositionally homogeneous and spherical microparticles that encode van der Waals interactions with complex symmetries (e.g., quadrupolar and dipolar) that reflect the internal organization of the LC. Experiments performed using kinetically controlled probe colloid adsorption and complementary calculations support our conclusion that LC ordering can program van der Waals interactions by ~20 k B T across the surfaces of microparticles. Because diverse LC configurations can be engineered by confinement, these results provide fresh ideas for programming van der Waals interactions for assembly of soft matter.

36 MATERIALS SCIENCE↗