Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “surface effects”

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.

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

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The effect of surfaces on molecular ordering in thin liquid-crystal systems

A theoretical method for analyzing the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions in liquid crystals, confined between plates of thin planar cells, is developed. It is shown that this method, as involving the concept of local orientational and translational order parameters, enables detailed investigations of the emergence of smectic A, nematic, and isotopic phases, as well as yields an insight into phase transitions between them, in cases of systems strongly affected by surfaces. The evidence of various surface effects, including the coexistence of different phases and the inward propagation of surface melting under the increase of temperature, is also given. The underlying numerical procedure, based on the algorithm of self-consistent calculations of local order parameters, is found to be very effective, allowing one to consider model systems of rather large thicknesses, corresponding to thicknesses of real sample cells.

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

Effect of surface strain on oxygen adsorption on Zr (0001) surface

The effect of surface strain on oxygen adsorption on Zr (0 0 0 1) surface is investigated by density functional theory (DFT) calculations. It is demonstrated that both surface strain and interactions between oxygen adsorbates influence the adsorption process. Oxygen binding to zirconium becomes stronger as the strain changes from compressive to tensile. When oxygen coverage is low and the oxygen interactions are negligible, surface face-centered cubic sites are the most stable for O binding. At high coverage and under compression, octahedral sites between second and third Zr layers become most favorable because the interactions between adsorbates are weakened by positive charge screening. Calculations with both single-layer adsorption model and multiple-layer adsorption model demonstrate that compressive strain at the Zr/oxide interface will provide a thermodynamic driving force for oxygen to incorporate from the surface into the bulk of Zr, while binding oxygen to the Zr surface will be easier when tensile strain is applied.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Water Oxidation by Cobalt Centers on Various Oxide Surfaces: The Effects of Oxide Surface Acidity and Oxygen Atom Affinity on Catalysis

© 2015 American Chemical Society. Single-atom cobalt centers on various oxide surfaces (TiO2, MgO, SBA-15, AlPO, and Y-Zeolite) were prepared and evaluated as water oxidation catalysts by photochemical water oxidation experiments. Superior catalytic rates were observed for cobalt sites on basic supporting oxides (TiO2 and MgO) relative to those on acidic oxides (Y-Zeolite, AlPO, and SiO2). Per-atom turnover frequencies of ca. 0.04 s-1 were achieved, giving initial rates 100 times greater than that of a surface atom of a Co3O4 nanoparticle. Contrary to expectations based on theoretical work, no apparent correlation was observed between the catalytic rates and the oxygen atom affinities of the supporting oxides. (Graph Presented).

Ahn, Hyun S↗
DOE OSTI2024

The Role of Non-Local Effects on Surface Sensible Heat Flux Under Different Types of Thermal Structures Over the Arctic Sea-Ice Surface

The effects of atmospheric thermal structure on the surface energy flux are poorly understood over the Arctic sea-ice surface. Here, we explore the mechanism of sensible heat exchange under different types of thermal structures over the Arctic sea-ice surface by using data collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate expedition. The quadrant analysis indicates that strong surface temperature inversions below 100 m enhance non-local effects on the positive (upward) sensible heat flux ($\overline{w'θ'}$) through entrainment of large eddies from the convective boundary layer aloft. However, strong surface inversions restrict the contributions of large eddies to the negative (downward) $\overline{w'θ'}$ due to intensified surface stability. By inspecting the existing parameterization schemes, we found that the European Center for Medium-Range Weather Forecasts Integrated Forecasting System scheme fails to predict the impacts of non-local processes on the positive $\overline{w'θ'}$, and an adjustment term to correct the bias of parameterized $\overline{w'θ'}$ is proposed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Superhydrophobic or Hydrophilic Porous Metallic/Ceramic Tubular Membranes for Continuous Separations of Biodiesel–Water W/O and O/W Emulsions

This study reports the effective surface effect of porous inorganic membranes on improving the emulsion separations (i.e., perm-selective extraction of either oil phase or aqueous phase from the emulsions). A novel tubular form of superwetting, porous, stainless steel/ceramic membranes were demonstrated for enabling continuous separations of oil–water emulsions, extracting either oil phase or aqueous phase from the flowing emulsions. The superhydrophobic membranes consist of macroporous (4 μm) stainless-steel SS434 tube with inner wall surface modified with superhydrophobicity (>150° contact angle) via perfluoro-silane grafting functionalization. The (super)hydrophilic membranes consist of 4-μm porous stainless-steel SS434 tube without/with inner wall coated with nanoporous alumina (6 nm average pore size), the surface of which was further modified with superhydrophilicity via Hydrophil-S solution deposition. With the cross-flow membrane filtration setup, the surface-engineered tubular membranes were studied for perm-selective extraction of aqueous or oil phase from oil–water emulsions (water-in-oil W/O and oil-in-water O/W) that are relevant to a real industrial biodiesel (FAME) production process. The superhydrophobic membrane (4 μm pore size) has demonstrated capability of extracting nearly 100% pure oil while rejecting water phase when either W/O or O/W emulsions were tested as feed. The superhydrophobic membrane showed distinct advantage of 2-orders-of-magnitude-higher flux extraction of oil at 100 times higher “break-through” pressures. On the other hand, the super/hydrophilic nanoporous membranes (6 nm) have shown selective water permeation (separation factor up to 35) when biodiesel-relevant W/O emulsions were tested. Finally, the membrane function is discussed from the perspective of improving industrial biodiesel processing yield by overcoming equilibrium limitations during the biodiesel formation reactions. Future work on in situ reaction–separation experiments are envisioned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effects of surface hydration on the electron injection rate from graphene to anatase and rutile TiO 2 surfaces

The effect of hydration of anatase (0 0 1), and rutile (0 0 1), (1 0 1) and (1 1 0) surfaces of TiO 2 on the rate of electron capture from an adsorbed graphene sheet is elucidated by means of computation at a level of tight-binding density functional theory. Initially, the clean surfaces are allowed to interact with bulk water. Following an equilibration period, the first solvation shell is exposed to vacuum at 300 K for a sufficiently long period of time to allow any weakly bound water molecules to evaporate or be displaced from the surface. The resultant hydroxylated and originally clean surfaces are used for studying the interaction with a graphene sheet. Comparison of the calculated surface-graphene interaction energies and electron transfer probabilities of a cold electron to clean and hydroxylated surfaces shows that the water-sourced OH layer of these surfaces acts as an insulator in interfacial charge transport of the cold electron.

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

Fatigue behavior and modeling for additive manufactured 304L stainless steel: The effect of surface roughness

The fatigue strength of additively manufactured metallic parts in their as-built surface condition is mainly dominated by the surface roughness. Post-processing is often inevitable to reduce surface roughness effects even though post-processing diminishes the main advantage of additive manufacturing, which is net-shaped direct-to-service production. This work investigates the underlying mechanisms responsible for fatigue failure of additively manufactured 304L stainless steel parts in as-built and machined/polished surface conditions. Both strain- and force-controlled, fully reversed fatigue tests were conducted to gain a comprehensive understanding of surface roughness effects on fatigue behavior. The sensitivity to surface roughness is shown to be dependent on the control mode, with stress-based fatigue tests showing greater sensitivity than strain-based fatigue tests. Moreover, the fatigue life estimation for as-built specimens was performed based on surface roughness parameters as well as the fatigue properties of the specimens in machined/polished surface condition of the material without using any fatigue data of specimens in as-built surface condition. Accordingly, the effect of surface roughness on the fatigue behavior could be estimated reasonably well in both strain-life and stress-life approaches.

36 MATERIALS SCIENCE↗