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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Capacitive Deionization Using Alternating Polarization: Effect of Surface Charge on Salt Removal

Alternating polarization (AP) at ±1.2/0 V is performed on a capacitive deionization stack assembled with carbon xerogel (CX) electrodes. Long-term testing shows enhanced cycling stability without the formation of inversion peaks. AP also leads to an arch-shaped plot of salt adsorption capacity (SAC) versus cycling time, with the highest SAC of approximately 3 mg (NaCl) g −1 (CX) during this long-term test. Characterization of both the freshly prepared and cycled electrodes depict that AP results in surface charge of all the electrodes being modified from positive to negative character. Here by leveraging balances of electronic, surface, and ionic charges in carbon micropores, it is found that a portion of the electronic charge contributes to the ionic charge for salt adsorption, and another portion is parasitically consumed to balance the surface charge during the charge reconciliation process. When the consumption of electronic charge for charge reconciliation becomes minimal, both the positive and negative surface charges are nearly equivalent on the CX electrode. Under such a condition, the highest SAC values can be achieved for AP testing.

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

Experimental and theoretical investigations on the adherent behaviors of high viscosity liquid: The effect of surface topography

Wetting test and classical molecular dynamics (MD) simulations were employed to investigate the adherent behaviors of hydroxyl-terminated polybutadiene (HTPB), a typical high viscosity liquid widely used as a binder in rocket motor propellants, onto the copper (Cu) surfaces with different topographies. Experimental data show that the microstructures protruding above the substrate surfaces can be ‘sensed’ by the HTPB droplet, which has been indicated by the smaller contact angles and higher interface tension for this specific liquid on the rough surfaces (featured with sinusoidal structures or square pillars) than that on the smooth surface. Simulation results reveal the atomic details of spreading process of HTPB chains, with diverse diffusion propensities presented on different surfaces. The HTPB droplet spreads widely on the smooth surface, exhibiting a roughly isotropic trend. On the contrary, the state of this high viscosity liquid on the sinusoidal-structured surface is featured by wide contact diffusion along the run of groove, but relatively restricted extension in the direction perpendicular to the groove, as a result of the barriers exerted by the nearest neighbouring peaks. The existence of nanoscale pillars increases the exterior surface area of Cu substrate, therefore the HTPB chains can penetrate deep to envelop the peripheries of the pillars, forming abundant direct contacts with Cu surface and producing a highest HTPB–Cu interaction energy, which well accords with the experimental results about the adherent strength of HTPB.

Wu, Chunya↗
DOE OSTI2016

Experimental investigation on the effect of surface electric field in the growth of tungsten nano-tendril morphology due to low energy helium irradiation

The mechanisms responsible for and controlling the growth of tungsten nano-tendrils (or “fuzz”) under low-energy helium plasma exposure remain unclear. For the first time in nano-tendril experiments, the plasma sheath-produced electric field and the helium (He) ion energy have been decoupled, showing that the sheath electric field has little impact on nano-tendril growth, eliminating a possible cause for tendril growth. The well-established necessary growth conditions for W fuzz were maintained with He ion flux density Γ He > 10 21 He m –2 s –1 , surface temperature T s = 1273 K, He ion energy E He = 64 eV, and He ion fluence Φ He > 10 24 He m –2 . A grid is situated between the tungsten sample and plasma, with the grid and sample potentials independently controlled in order to control the electric field at the surface of the sample while maintaining the same incident He ion energy to the surface. A calculation of the potential profile in the drift space between the grid and sample was used to account for space charge and calculate the electric field at the surface of the sample. Tungsten fuzz formed at all electric fields tested, even near zero electric field. Also, the depth of the resulting W fuzz layer was unaltered by the electric field when compared to the calculated depth determined from an empirical growth model. The conclusion is that the sheath electric field is not necessary to cause the changes in surface morphology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Effects of surface treatments on ABS mechanical properties from fused filament fabrication

This paper examines the influence of surface treatments on the mechanical properties of acrylonitrile butadiene styrene (ABS) samples printed by fused filament fabrication (FFF). Prior efforts have applied brushing, painting, solvent dipping, infiltration, and vapor smoothing as post-processing surface treatments to improve the mechanical properties of FFF components. Additionally, because FFF can produce components with undesirable surface roughness, mechanical abrasion, epoxy coating, and acetone treatment may increase tensile strength by decreasing stress concentrations. Ridged surface texture may provide desirable tribological or handling properties. Based on these opportunities, this paper investigates abrasive media blasting, epoxy coating, acetone immersion, and ridged texturing surface treatments on the tensile strength and other mechanical properties of FFF ABS samples. ASTM D638-14 Type-I samples were printed, treated on all sample sides, and tested. From tensile tests, the elastic modulus, tensile strength, and fracture strain for both the untreated and treated ABS samples were calculated. For each sample, the surface finish and fracture macromorphology were observed with optical microscopy and the roughness values for the surface finish were calculated from profilometer data. Furthermore, samples were submerged in water and weighed periodically to measure mass changes due to water absorption. From surface profilometry and optical miscopy data, mechanical media blasting, epoxy coating, and immersion in all concentrations of acetone decreased surface roughness. Overall, on average, grit blasting with large beads and epoxy coating led to 2.6% and 1.2% increases in tensile strength, respectively; immersion in 40% acetone led to a 1.9% increase in tensile strength while treatment in 60% and 80% acetone decreased tensile strength by 4.9% and 1.9%, respectively. The study concludes that only grit blasting with large beads, immersion in 60% acetone, and the ridged texture significantly affected the tensile strength.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Molecular Investigation of the Initial Nucleation of Calcium Phosphate on TiO 2 Substrate: The Effects of Surface Nanotopographies

Nucleation and biomineralization of apatite on titanium-based material surfaces is crucial to improve surface biocompatibility, osseointegration, and rapid bone ingrowth in biomedical applications such as joint replacements. Here, this work is designed to provide new insights on the molecular processes in the initial nucleation of calcium phosphate on TiO 2 surface by means of classical molecular dynamics (MD) simulations. Aggregation of calcium and phosphate ions in pure aqueous solution was studied, and the free energies during ion adsorption was investigated by the calculation of PMFs. The MD results suggest surface hydroxylation rate and nanotopographies of TiO 2 substrate contribute significantly to the initial nucleation of calcium phosphate. Our simulations suggest that surface hydroxyls on TiO 2 provide active sites for the aggregation of calcium phosphate. Both calcium ions and phosphate ions could bind to the hydroxylated TiO 2 surface directly or indirectly via the first water layer. Surface nanotopographies (e.g., grooves or ridges) seem to be able to restrict the diffusion of calcium ions and phosphate ions, hence offering more opportunities for adsorption by trapping ions inside channels. In conclusion, it can be inferred that apatite may be formed more favorably on porous or concave surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Regioselective Hydrosilylation Catalysis with Supported Well-Defined Pt(0) Complexes: Effects of Surface Anions and Phosphenium Ligands

Achieving stable, selective single-atom catalysts is challenging because localsurface-site structures are difficult to control. Surface organometallic chemistry and organic−inorganic hybrid materials offer partial solutions, but applications to supporting zero-valent metals are limited. We demonstrate that well-defined, ionically bound N-heterocyclic phosphenium ([NHP] + ) ligands can be generated on silylium-functionalized sulfated zirconia ([ i Pr 3 Si][SZO]). These surface-bound [NHP][SZO] ligands coordinate Pt(0) centers, forming [(NHP)Pt(0)L][SZO] precatalysts that are highly active for alkyne hydrosilylation. Systematic studies reveal that sterically bulky aromatic ligands enhance regioselectivity, achieving performances comparable to molecular Pt catalysts. Further, more-coordinating anions support more-regioselective precatalysts; therefore, SZO supports more-selective species than weaker-coordinating Al(OC(CF 3 ) 3 ) 3 - functionalized silica, a trend confirmed by molecular analogues. These results demonstrate that both the ligand and support control catalytic behavior and enable solid-state structure− activity relationships.

Catalysts↗