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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Mineral scaling on brass and aluminum surfaces with a range of wettability

Crystallization fouling, or mineral scaling, is fundamental to various surfaces in energy and environmental applications. This paper considers, for the first time, a systematic investigation of scaling of nonwetting aluminum and brass surfaces relative to their bare counterparts. Metallic surfaces with a range of nonwetting characteristics from hydrophilic to superhydrophobic and lubricant infused surfaces were fabricated using a facile etching method. Systematic dynamic flow scaling experiments are conducted on the six different surface types at three flow levels and two temperature levels. The interactive effects of the different parameters are analyzed relative to their correspondence to the nucleation theory. The study reveals that nonwetting metallic superhydrophobic or hydrophobic surfaces reduce fouling by over 50% compared to bare counterparts. Further, lubricant infused metallic surfaces demonstrate superior anti-scaling performance by over 60% and up to 90% fouling reduction. The study is the first to present fundamental insights into the engineering and anti-scaling performance of nonwetting brass and aluminum surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of MoS 2 films via simultaneous grazing incidence X-ray diffraction and grazing incidence X-ray fluorescence (GIXRD/GIXRF)

Physical vapor deposited (PVD) molybdenum disulfide (nominal composition MoS 2 ) is employed as a thin film solid lubricant for extreme environments where liquid lubricants are not viable. The tribological properties of MoS 2 are highly dependent on morphological attributes such as film thickness, orientation, crystallinity, film density, and stoichiometry. These structural characteristics are controlled by tuning the PVD process parameters, yet undesirable alterations in the structure often occur due to process variations between deposition runs. Nondestructive film diagnostics can enable improved yield and serve as a means of tuning a deposition process, thus enabling quality control and materials exploration. Grazing incidence X-ray diffraction (GIXRD) for MoS 2 film characterization provides valuable information about film density and grain orientation (texture). However, the determination of film stoichiometry can only be indirectly inferred via GIXRD. The combination of density and microstructure via GIXRD with chemical composition via grazing incidence X-ray fluorescence (GIXRF) enables the isolation and decoupling of film density, composition, and microstructure and their ultimate impact on film layer thickness, thereby improving coating thickness predictions via X-ray fluorescence. We have augmented an existing GIXRD instrument with an additional X-ray detector for the simultaneous measurement of energy-dispersive X-ray fluorescence spectra during the GIXRD analysis. This combined GIXRD/GIXRF analysis has proven synergetic for correlating chemical composition to the structural aspects of MoS 2 films provided by GIXRD. We present the usefulness of the combined diagnostic technique via exemplar MoS 2 film samples and provide a discussion regarding data extraction techniques of grazing angle series measurements.

MoS2↗
DOE OSTI2025

Mesoscale Modeling of Hydrogels Under Frictional Shear Stress

Hydrogels are three-dimensional networks of hydrophilic polymers often used as a simplified model of hydrated biological materials, from cartilaginous joints to the ocular tear film. However, the lubrication mechanisms of hydrogels remain poorly understood, partly due to their complex polymeric structure, which creates blurred interfaces during sliding that are challenging to study experimentally. In this study, we employ dissipative particle dynamics (DPD) to investigate the frictional behavior of a polymeric hydrogel network sliding against a solid wall in an explicit viscous solvent. This computational approach enables us to model hydrodynamic interactions and mesoscale polymer dynamics, capturing key aspects of hydrogel friction. Our simulations reveal that hydrogel friction is governed by the interplay between polymer relaxation and viscous shear, characterized by the Weissenberg number (Wi). At low Wi, friction coefficient remain nearly constant, dominated by polymer relaxation. However, at higher Wi, friction is dominated by viscous drag within a near-wall solvent layer, leading to a linear increase in friction coefficient with Wi. Furthermore, our results demonstrate an inverse relationship between the friction coefficient and the applied normal load, consistent with experimental observations. This work provides new insights into the fundamental tribological properties of hydrogels, shedding light on the micromechanics of hydrogel friction. Improving our understanding of hydrogel structure and dynamics under friction advances our knowledge of the mechanisms regulating biological lubrication in health and disease.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Material-Dependent Antagonistic Effects between Soot and ZDDP

While soot in engine oil is known to accelerate the wear of diesel and gasoline direct-injection compression-ignition engines, there is a lack of consensus on the wear mechanism though various hypotheses have been proposed in the literature. Particularly, some recently observed antagonistic effects between soot and a common lubricant antiwear additive, zinc dialkyldithiophosphate (ZDDP), while others did not. The discrepancy is, in part, explained by the strong alloy dependence of such antagonism discovered in this study. Specifically, four alloys, 52100 steel and M2, M50, and A2 tool steels, are tested in lubricants containing carbon black (CB, a soot surrogate) with and without ZDDP present. Adding the CB alone to the oil increases the wear rate for all steel alloys as expected. However, distinct wear performance is observed for the four steel alloys when ZDDP is introduced to the CB-containing oil: while the 52100 steel has notable wear reduction, the three tool steels suffer significant wear increase. Comprehensive tribofilm characterization suggests that the Mo content in the steel alloy and the sulfur from ZDDP strongly influence wear behavior. The combination of CB/Mo-catalyzed sulfidation and CB-accelerated abrasion is hypothesized to be responsible for the high wear of the Mo-alloyed tool steels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Soft matter approach for creating novel protein hydrogels using fractal whey protein assemblies as building blocks

In this study, mesoscopic sized fractal assembly (FA) particles were prepared using whey protein isolate; the coldset gelation properties of FA particles were investigated in-depth. Two types of FA particles (FA -62 and FA -90) with different mean sizes were synthesized through controlled thermal treatment of whey protein solutions at two concentrations (62 g/L and 90 g/L). Particle characteristics e.g. hydrodynamic radius, ζ-potential and surface hydrophobicity were dependent on pH and structure of FA. Transmission electron microscopy (TEM) observation confirmed the fractal morphology and small-angle X-ray scattering (SAXS) analysis suggested an internal fractal structure for the obtained FA particles. Eight cold-set FA protein gels (2 % w/v) were manufactured by controlling two gelling factors at two levels: pH (5.8 and 7.0) and Ca 2+ content (5 mM and 10 mM). Rheological characteristics in the large amplitude oscillatory shear regime revealed that pH 7.0 gels were softer and elastic while pH 5.8 gels were harder and brittle. Rheology Pipkin diagrams demonstrated that the strain softening/stiffening and the shear-thinning/thickening behaviors may be fine-tuned by manipulating the key gelation factors: e.g. FA structure, pH, and Ca 2+ . The entrainment speed-dependent friction coefficient curves showed that at an intermediate velocity regime (6-250 mm s -1 ), FA -90 particles induced hydrogels had superior lubrication effect compared to FA -62 gels. Further, this work demonstrated a food structure design approach regarding tuning texture and lubrication properties of protein gels without changing protein content and protein composition. The optimized protein hydrogels may be used as texturizer for "cleaner label" food formulas and/or as delivery system for carrying micronutrients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The effect of electrical current on premature failures and microstructural degradation in bearing steel

Premature failures associated with microstructural degradation, i.e. white etching cracks (WECS), are becoming commonplace as applications are requiring tribological components to operate under extreme conditions. Although the specific drivers of WECs are still debated, the failures are often found in applications where cyclic loading is combined with added energy from stressors such as slip, impacts, or stray current. The aim of the current work is to elucidate effect that variable current has on premature failure. Numerous commercially available lubricants were tested, and both lubricant base oil type and additive package were found to have an effect on WEC failure time.

Bearing failure↗
DOE OSTI2024

Finite domain solution of a KGD hydraulic fracture in the viscosity-dominated regime

This paper describes a numerical algorithm for solving the classic problem of a plane strain (KGD) fracture propagating in an impermeable elastic medium with zero toughness. The method, which takes advantage of the self-similar nature of the solution, combines a domain-based scheme to solve the elasticity equations and a finite volume method to solve the nonlinear lubrication equation. This work represents a first step towards developing a model able to account for pore pressure diffusion in the medium and corresponding poroelastic effects, noting that these processes are more efficiently solved using a domain-based rather than a boundary integral method. To enhance the efficiency and accuracy of the numerical scheme, the far-field crack asymptotics is embedded in the discretized elastic relationship between the fluid pressure and the crack opening, while the coupled fluid-solid tip asymptote is enforced in a weak form when solving the nonlinear lubrication equation. The proposed technique yields results that closely match the analytical solution, even with a coarse mesh. This approach offers potential for addressing more complex hydraulic fracturing problems in the future.

Domain-based method↗
DOE OSTI2024

Metal DiSulfide thin films synthesized by pulsed ion beam ablation: Self-assembled structures with improved mechanical properties in humid conditions

Thin films composed of transition metal dichalcogenides such as molybdenum disulfide (MoS 2 ) or tungsten disulfide (WS 2 ) are well known for their solid lubricating behavior in dry environments such as space, but deteriorate rapidly in environments where oxygen is present. There have been many attempts over recent decades to improve MoS 2 lubricating performance in humid environments by addition of metals such as titanium to the film. The additions have come in the form of co-sputtering with the MoS 2 , or formation of nano multilayer coatings. We have previously reported on the synthesis of MoS 2 films by high-power ion beam ablation [Prasad et al, Matls. Lett. 65 (2010) 4–6]. The resulting films are observed to contain spheres of pure Mo of 10–100 nm size evenly dispersed throughout the ~1 μm-thick film, a form of self-assembly not before seen in films produced by sputtering or by pulsed laser deposition (PLD). The remaining Mosingle bondS matrix was observed to crystalize in situ under frictional contact into MoS 2 with the basal planes orienting themselves in the direction of sliding underneath the wear surface. The present study concerns metal additions in the form of alternating layers with MoS 2 deposited in between from an ablation target. The addition of Ti resulted in the extension of good tribological performance to humid air conditions, but the path to good performance appears to be relatively narrow. The same distributed Mo spheres were present in the new film, and similar self-assembled morphologies when V was substituted for the Ti, and when multilayers were formed of WS 2 with Zr additions. Furthermore, it appears that addition of Ti resulted in improvements in mechanical film strength that contributed to the wear ability in humid conditions.

Intense ion beams↗
DOE OSTI2023

Tribocorrosion of stainless steel sliding against graphite in FLiNaK molten salt

The molten salt reactor (MSR) concept recently gained renewed interest in developing Generation IV nuclear reactors. One MSR design uses fluoride molten salts to cool tri-structural isotropic particle fuel encapsulated by a carbon matrix into spherical pebbles, which would inevitably contact the reactor's stainless steel container wall during salt circulation. Characterizing this interaction is crucial for reactor safety. Here, in this work, we report the tribocorrosion behavior of graphite sliding against Type 316H stainless steel lubricated by a FLiNaK (LiF:NaF:KF; 46.5:11.5:42 mol %) molten salt in an argon environment. Accelerated wear loss was observed at a higher temperature because of a lower molten salt viscosity and a higher corrosion rate. The graphite had a more rapid material loss at a higher sliding speed than stainless steel because of its higher vulnerability to vibration-induced microfracture. The salt-starved condition caused more material loss than either the no-salt or the salt-flooded condition because neither a graphite transfer film nor stable boundary lubrication could be established at salt starvation. An interesting dual-layer surface film was discovered on the stainless steel worn surface: a chromium-rich top film and a nickel-accumulated but chromium-depleted interlayer. The film composition and structure provide fundamental insights to the mechanochemical interactions between stainless steel and graphite in a molten salt environment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Long-Term Static and Dynamic Corrosion Stability of Nonwetting Surfaces

Superhydrophobic surfaces (SHSs) and lubricant-infused surfaces (LISs) are two classes of nonwetting surfaces that have drawn attention due to their advanced functional properties including corrosion inhibition. Yet there is a conspicuous lack of corrosion study of SHSs and LISs with respect to their fabrication and material parameters, especially at high temperatures and under dynamic flow conditions over long durations, which is sought to be addressed in this article. Considering copper SHSs and LISs, a full factorial combinatorial study of two facile texturing processes, electrodeposition and etching, two different functionalization agents, stearic acid and mercaptan, and two types of infused lubricants, Krytox 104 and DOWSIL 510, is presented, encompassing over 650 measurements on 90 tested surfaces. All fabricated surfaces demonstrated water repellency with a contact angle above 150° and a sliding angle below 7°. For the first time, the study examines high-temperature corrosion stability and long-term corrosion durability of the nonwetting surfaces in both static fluid and dynamic turbulent flow conditions over a period of 30 days. Here, LISs and SHSs are shown to provide excellent corrosion inhibition over all tested corrosion conditions, with negligible presence of corrosion species on the surfaces and no deterioration of the texturing. The surfaces are also shown to rejuvenate easily to the initial wettability and corrosion resistance values. This study provides valuable insights into the selection of materials and processing parameters for the fabrication of nonwetting surfaces for the application of interest.

Copper↗
DOE OSTI2022

Interactions of Water with Pristine and Defective MoS 2

Molybdenum disulfide (MoS 2 ) is a lamellar solid lubricant often used in aerospace applications because of its extremely low friction coefficient (~0.01) in inert environments. The lubrication performance of MoS 2 is significantly impaired by exposure to even small amounts of water and oxygen, and the mechanisms behind this remain poorly understood. Here we use density functional theory calculations to study the binding of water on MoS 2 sheets with and without defects. In general, we find that pristine MoS 2 is slightly hydrophilic but that defects greatly increase the binding affinity for water. Intercalated water disrupts the crystal structure of bulk MoS 2 due to the limited space between lamellae (~3.4 Å), and this leads to generally unfavorable adsorption, except in the cases where water molecules are located on the sites of sulfur vacancies. We also find that water adsorption is more favorable directly below a surface layer of MoS 2 compared to in the bulk.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrodeposited Mo x S y O z /Ni Tribological Coatings

Deposition of molybdenum disulfide (MoS 2 ) coatings using physical vapor deposition (PVD) and mechanical burnishing has been widely assessed for solid lubricants in space applications but still suffers from line-of-sight constraints on complex geometries. Here, we highlight one of the first demonstrations of electrodeposited Mo x S y O z and Mo x S y O z /Ni thin-film coatings from aqueous solutions of ammonium tetrathiomolybdate for solid lubricant applications and their remarkable ability to provide low coefficients of friction and high wear resistance. Characterization of the coating morphology shows amorphous microstructures with a high oxygen content and cracking upon drying. Even so, electrodeposited Mo x S y O z can achieve low steady-state coefficients of friction (μ ∼ 0.05–0.06) and wear rates (2.6 × 10 –7 mm 3 /(N m)) approaching those of physical vapor deposited coatings (2.3 × 10 –7 mm 3 /(N m)). Additionally, we show that adding dopants such as nickel increased the wear rate (7.5 × 10 –7 mm 3 /(N m)) and initial coefficient of friction (μ i = 0.23) due to compositional modifications such as dramatic sub-stoichiometry (S/Mo ∼ 1) and expression of a NiO x surface layer, although doping did reduce the degree of cracking upon drying.

Babuska, Tomas F.↗
DOE OSTI2020

Tribochemical Conversion of Methane to Graphene and Other Carbon Nanostructures: Implications for Friction and Wear

Tribochemistry involves chemical reactions occurring at sliding contact interfaces in the presence of gaseous and/or liquid media. It often leads to the formation of a solid reaction film (also termed boundary film) which controls friction and wear and hence the efficiency and reliability of moving mechanical systems (such as engines). Here we demonstrate tribochemical conversion of methane to graphene, nano-onion, and disordered carbons on the sliding surfaces of Ni-, Cu-, and CuNi-containing VN coatings at atmospheric pressure and room temperature, providing 2-3 orders of magnitude reduction in wear and similar to 50% reduction in friction compared to those of the uncoated steels. Transmission electron microscopy confirms that graphene forms preferably on metal rich nanoclusters of the composite coatings, while the carbon nano-onions are scattered throughout the carbon tribofilm. Ab initio molecular dynamics simulations elucidate underlying mechanisms involved in the tribochemical conversion of methane to carbon- based nanostructures in support of microscopic observations. These scientific findings may lead to new materials technologies that can use methane as a source for continuous and in situ lubrication. For example, there is an urgent need to curtail the uses of lubricating oils in natural gas compressors and engines as they contaminate the natural gas being compressed or burnt.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Techno-Economic and Life Cycle Assessment of Chemical Recycling and Upcycling of Mixed Plastics Waste Containing Poly-vinyl-chloride

Developing technologies that completely remove chlorine from plastic waste can allow its chemical recycling and upcycling with catalytic methods. Here, this study compares eight processes involving different dechlorination methods (absorption columns, adsorption in beds of zeolites, catalytic dechlorination, and dissolution in ionic liquids) and chemical conversion technologies (incineration, pyrolysis, hydrogenolysis) to upgrade mixed plastics waste to various products (e.g., electricity, fuels, virgin polymers, and lubricant oil). The analysis determines that the absorption of chlorine in columns with basic aqueous solutions is limited to plastics waste with PVC concentrations below 0.1%. Dissolution in ionic liquids is not cost-competitive. On the contrary, two-step processes with catalytic dechlorination followed by thermochemical catalytic depolymerization, either pyrolysis or hydrogenolysis, significantly improve process economics and emissions. The most economically viable alternative is hydrogenolysis for producing lubricants, while the technology with the lowest global warming potential is chemical recycling via catalytic pyrolysis.

circular economy↗
DOE OSTI2023

A two-stage strategy for upcycling chlorine-contaminated plastic waste

Abstract Chemical upcycling of polyolefin plastic waste to lubricant, wax and fuel-range hydrocarbons over metal-based catalysts is a crucial technological solution to the enormous environmental threat posed by plastic waste. However, currently available methods are incompatible with chlorine-contaminated feedstocks. Here we report a two-stage strategy for upcycling chlorine-contaminated polypropylene. First, magnesia–alumina mixed oxide at 30 bar H 2 and 250 °C serves as a chlorine trap by rapidly forming solid chloride, resulting in nearly complete chlorine extraction from the polyolefin melt. This enables the upcycling of plastic waste with up to 10% polyvinyl chloride content to lubricants over ruthenium-based catalysts, in the second stage. The strategy is also applicable to chlorinated aromatics and alkanes. The proposed strategy renders hydrocracking and hydrogenolysis catalysts less sensitive to the chlorine impurities in feedstocks while eliminating HCl emissions and chlorine contamination in products. It could incentivize further progress in plastics upcycling.

Environmental Sciences & Ecology↗
DOE OSTI2020

Structure and dynamics of hydrodynamically interacting finite-size Brownian particles in a spherical cavity: Spheres and cylinders

The structure and dynamics of confined suspensions of particles of arbitrary shape are of interest in multiple disciplines from biology to engineering. Theoretical studies are often limited by the complexity of long-range particle-particle and particle-wall forces, including many-body fluctuating hydrodynamic interactions. Here, we report a computational study on the diffusion of spherical and cylindrical particles confined in a spherical cavity. We rely on an immersed-boundary general geometry Ewald-like method to capture lubrication and long-range hydrodynamics and include appropriate non-slip conditions at the confining walls. A Chebyshev polynomial approximation is used to satisfy the fluctuation-dissipation theorem for the Brownian suspension. We explore how lubrication, long-range hydrodynamics, particle volume fraction, and shape affect the equilibrium structure and the diffusion of the particles. It is found that once the particle volume fraction is greater than 10%, the particles start to form layered aggregates that greatly influence particle dynamics. Hydrodynamic interactions strongly influence the particle diffusion by inducing spatially dependent short-time diffusion coefficients, stronger wall effects on the particle diffusion toward the walls, and a sub-diffusive regime-caused by crowding-in the long-time particle mobility. The level of asymmetry of the cylindrical particles considered here is enough to induce an orientational order in the layered structure, decreasing the diffusion rate and facilitating a transition to the crowded mobility regime at low particle concentrations. Our results offer fundamental insights into the diffusion and distribution of globular and fibrillar proteins inside cells.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigations in the tape-to-tape contact resistance and contact composition in superconducting CORC ® wires

Conductor on Round Core (CORC®) wires and cables, constructed from multiple layers of helically wound REBa 2 Cu 3 O 7–δ tapes, are a promising cable technology for high field magnet applications. An important feature of high-temperature superconductor cables is the ability to share current between conductors, allowing current to bypass drops in I c and minimizing the risk of hot spot formation, which could lead to potential burnout in the superconductor. In contrast to stacked-tape cables, which have continuous contact between tapes, in CORC® the transfer points occur at discrete tape crossovers. The tape-to-tape contact resistance, R c , plays a critical role in the current sharing capabilities and current distribution in cables. For the work reported here, special CORC® wires were manufactured using different winding parameters to investigate variations in R c . Variations comprised inclusion of a lubricant, different lubricant conductivity, inclusion of pre-tinning, and heating briefly to melt the solder. Cables were first tested as straight lengths, followed by bending to a 10 cm diameter. In straight cables R c values ranged from 1 to over 1000 μΩ cm 2 , depending on cabling parameters, with the highest values being found for cables made by the present 'standard' process. Bending the cables to a 10 cm diameter decreased R c by a factor 2–5. Tinning with PbSn decreased R c by three orders of magnitude compared to standard CORC® wires, and heat treating wires with tinned conductor resulted in only a small further decrease in R c . Based on the measured R c at an electric field of 1 μV cm –1 the resulting current transfer length between layers can range from a few millimeters to a tens of centimeters. Examination of contacts with a laser confocal microscope showed plastic deformation of the copper at the edges of the contact overlap area, apparently caused by thicker plating at tape edges digging into the copper of neighboring layers. These images reveal that only a fraction of the total contact surface may actually be touching when there is nothing to compensate for height differential. Images of the PbSn coated tapes indicated that application of solder produces a much more uniform contact surface and higher contact area. Furthermore, imaging of CORC® cross-sections confirmed that in the non-tinned cables there are many regions where tapes are not in contact, while in contrast the PbSn cable shows significantly more contact between the tapes. These different imaging techniques reveal that tape surface morphology is a significant parameter in determining R c .

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗