Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “additive”

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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Perspectives on intrinsic toughening strategies and passivation of perovskite films with organic additives

We report on the inclusion of 5-aminovaleric acid (5-AVA)—a bulky, long-chained organic molecule—as an additive to enhance the mechanical integrity of hybrid perovskite films. We studied a range of organic cation additives and found that 5-AVA was the most effective at improving cohesion energy, a key metric of mechanical reliability. MAPbI 3 films reinforced with 5-AVA added in 5% concentration increased cohesion energy 12-fold from 0.53 J/m 2 to 6.04 J/m 2 , an effect which is attributed to increased plasticity and crack deflection around grain boundaries of the additive-containing perovskite. The addition of 5-AVA also improves V oc in perovskite solar cells and carrier lifetimes with a minimal decrease in PCE, attributed to passivation reducing defect and trap densities. A Tauc plot analysis of the bandgap shows that 5-AVA increases the band gap of the perovskite, correlating with reduced film stress compared to MAPbI 3 . Finally, the usage of 5-AVA improves the intrinsic thermomechanical reliability, but this improvement comes at the penalty of slightly reduced device efficiency due to reduced charge extraction from the presence of the bulky, insulating organic additive.

14 SOLAR ENERGY↗
DOE OSTI2018

The Influence of Intake Pressure and Ethanol Addition to Gasoline on Single- and Dual-Stage Autoignition in an HCCI Engine

Autoignition in HCCI engines is known to be controlled by the combustion kinetics of the in-cylinder fuel/air mixture which is highly influenced by the amount of low-temperature and intermediate-temperature heat release (LTHR and ITHR) that occurs. At lower intake pressures (typically <1.4 bar absolute), it has been observed that gasoline behaves as a single-stage heat release fuel, while at higher intake pressures (typically >1.8 bar absolute) gasoline behaves as a two-stage heat release fuel. Furthermore, ethanol blending into gasoline strongly affects heat release characteristics, and this warrants further investigation. This paper experimentally investigates the conditions under which gasoline transitions from a single-stage heat release fuel to a two-stage heat release fuel as intake pressure is increased. Experiments were performed in single-cylinder HCCI engine fueled with two research-grade gasolines, FACE A and FACE C. These gasolines were tested neat, and with 10% and 20% (by volume) ethanol addition. In addition, these results were compared to results previously obtained for PRF 85, and new results for PRF 84 with 10% and 20% ethanol addition. Moreover, the engine experiments were supported by rapid compression machine (RCM) ignition delay data for the same fuels. The engine experiments revealed that there were minimal differences between the heat release profiles of the two gasolines, FACE A and FACE C, a result which was supported by the RCM experiments that showed similar ignition delay times for the two FACE fuels and PRF 84. On the other hand, with ethanol addition to these gasolines and PRF 84, the occurrence of LTHR shifted to higher intake pressures compared to ethanol-free cases, from 1.4 bar intake pressure for neat fuel to 2.2 bar with 20% ethanol. Consequently, the intake temperatures required to achieve constant combustion phasing for all mixtures were drastically altered. Simulations using a detailed chemical kinetic model were utilized to understand the effects of ethanol blending on the ignition characteristics of PRF 84. The addition of ethanol was found to act as a radical sink where it inhibits the radical pool formation during the low (<850 K) and intermediate (850–1050 K) temperature chemistry regimes resulting in lower reactivity. These results help explain ethanol’s significant antiknock qualities under boosted conditions in spark-ignition engines.

42 ENGINEERING↗
DOE OSTI2019

Self-Complementary Multiple Hydrogen-Bonding Additives Enhance Thermomechanical Properties of 3D-Printed PMMA Structures

Nonbonded interactions provide a way to guide the assembly and alter the physical properties of soft polymeric materials. The self-complementary hydrogen-bonding interactions conveyed through polymeric additives dramatically enhance thermomechanical properties of poly(methyl methacrylate) (PMMA) specimens printed by fused filament fabrication (FFF). Random copolymer additives composed of methyl methacrylate (MMA) and a methacrylate monomer containing 2-ureido-4-pyrimidone (UPy) pendant group (UPyMA), which self-dimerize through quadruple hydrogen-bonding interactions, were incorporated at 1 wt % in a high molecular weight PMMA matrix. Results from dynamic mechanical analysis measurements made in the glassy regime show that as the UPyMA comonomer content in the p(MMA-r-UPyMA) copolymer additive increases up to 5 mol %, there is a 50% increase in Young’s modulus and a 62% increase in the storage modulus. Concomitantly, there is an 85% increase in ultimate tensile strength and a 100% increase in tensile modulus. Additionally, rheology measurements indicate that at temperatures well above the glass transition temperature, the storage modulus and complex viscosity of the multicomponent blends are unaffected by the incorporation of p(MMA-r-UPyMA) additives, regardless of the UPyMA content. In aggregate, these results suggest that using reversible, nonbonded intermolecular interactions, such as multidentate hydrogen bonding, provides a novel route to overcome the mechanical property limitations of FFF-printed materials without affecting melt processability.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Green Needle Coke Production from Pyrolysis Biocrude toward Bio-based Anode Material Manufacture: Biochar Fines Addition Effect as “Physical Template” on the Crystalline Order

Here, a new method for producing green needle coke (GNC) is developed by replacing the “heavy fraction” of petroleum pitch delayed coking with fast pyrolysis biocrude. A series of alternative biocrude distillation, carbonization, and calcination conditions were investigated to determine the influence of these processing parameters onto the crystalline structure of the resulting graphitized material. For the first time, the addition of biochar fines was found to serve as a “physical template” to increase the graphitic nature of the final product. During the initial biocrude carbonization (350–450 °C), volatile compounds are released, and aromatics in pyrolysis biocrude experience condensation, resulting in GNC solids with carbon contents above 95 wt % and some early lamellar structure. In the second stage of the thermal process (25–1500 °C), there are additional thermal decomposition reactions with an increase in the aromatic nature of the graphitized solid. It was found that systematic addition of biochar fines induces a nucleating effect during the GNC development. Thermogravimetric analysis suggests that biochar fines promote polycondensation reactions by modifying the biopitch structure and molecular weight, while elemental analysis (CHN) shows a reduction in both H/C and O/C ratios which are consistent with the increase in aromaticity and removal of oxygenated compounds as thermal treatment evolves. The effects of different bio-based pitch materials (after distillation) and GNC intermediates were evaluated by pyrolysis-gas chromatography mass spectrometry and Fourier transform infrared, displaying slight changes on product yields and quality. X-ray diffraction patterns taken after graphitization evidence an increase in the graphitic order with the addition of biochar fines. Transmittance electron microscopy depicts an improvement on graphitic morphology as biochar fine content increases. The use of biochar fines showed a significant increase in graphitic ordering at addition levels above 0.01 wt %. These results show that thermally treated biocrude/biochar fine systems can produce graphitic structures (hard carbon-like) that might be suitable for the manufacture of sodium-ion batteries.

09 BIOMASS FUELS↗
DOE OSTI2022

Strong yet ductile nanolamellar high-entropy alloys by additive manufacturing

Additive manufacturing produces net-shaped components layer by layer for engineering applications. The additive manufacture of metal alloys by laser powder bed fusion (L-PBF) involves large temperature gradients and rapid cooling, which enables microstructural refinement at the nanoscale to achieve high strength. However, high-strength nanostructured alloys produced by laser additive manufacturing often have limited ductility. In this work, we use L-PBF to print dual-phase nanolamellar high-entropy alloys (HEAs) of AlCoCrFeNi 2.1 that exhibit a combination of a high yield strength of about 1.3 gigapascals and a large uniform elongation of about 14 percent, which surpasses those of other state-of-the-art additively manufactured metal alloys. The high yield strength stems from the strong strengthening effects of the dual-phase structures that consist of alternating face-centred cubic and body-centred cubic nanolamellae; the body-centred cubic nanolamellae exhibit higher strengths and higher hardening rates than the face-centred cubic nanolamellae. The large tensile ductility arises owing to the high work-hardening capability of the as-printed hierarchical microstructures in the form of dual-phase nanolamellae embedded in microscale eutectic colonies, which have nearly random orientations to promote isotropic mechanical properties. The mechanistic insights into the deformation behaviour of additively manufactured HEAs have broad implications for the development of hierarchical, dual- and multi-phase, nanostructured alloys with exceptional mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Operando Multi-modal Synchrotron Investigation for Structural and Chemical Evolution of Cupric Sulfide (CuS) Additive in Li-S battery

Conductive metal sulfides are promising multi-functional additives for future lithium-sulfur (Li-S) batteries. These can increase the sulfur cathode’s electrical conductivity to improve the battery’s power capability, as well as contribute to the overall cell-discharge capacity. This multi-functional electrode design showed initial promise; however, complicated interactions at the system level are accompanied by some detrimental side effects. The metal sulfide additives with a chemical conversion as the reaction mechanism, e.g., CuS and FeS 2 , can increase the theoretical capacity of the Li-S system. However, these additives may cause undesired parasitic reactions, such as the dissolution of the additive in the electrolyte. Studying such complex reactions presents a challenge because it requires experimental methods that can track the chemical and structural evolution of the system during an electrochemical process. To address the fundamental mechanisms in these systems, we employed an operando multimodal x-ray characterization approach to study the structural and chemical evolution of the metal sulfide—utilizing powder diffraction and fluorescence imaging to resolve the former and absorption spectroscopy the latter—during lithiation and de-lithiation of a Li-S battery with CuS as the multi-functional cathode additive. The resulting elucidation of the structural and chemical evolution of the system leads to a new description of the reaction mechanism.

25 ENERGY STORAGE↗
DOE OSTI2021

Microstructure and properties of additively manufactured Al–Ce–Mg alloys

Additive manufacturing of aluminum alloys is largely dominated by a near-eutectic Al-Si compositions, which are highly weldable, but have mechanical properties that are not competitive with conventional wrought Al alloys. In addition, there is a need for new Al alloys with improved high temperature properties and thermal stability for applications in the automotive and aerospace fields. In this work, we considered laser powder bed fusion additive manufacturing of two alloys in the Al–Ce–Mg system, designed as near-eutectic (Al–11Ce–7Mg) and hyper-eutectic (Al–15Ce–9Mg) compositions with respect to the binary L → Al + Al 11 Ce eutectic reaction. The addition of magnesium is used to promote solid solution strengthening. A custom laser scan pattern was used to reduce the formation of keyhole porosity, which was caused by excessive vaporization due to the high vapor pressure of magnesium. The microstructure and tensile mechanical properties of the alloys were characterized in the as-fabricated condition and following hot isostatic pressing. The two alloys exhibit significant variations in solidification structure morphology. These variations in non-equilibrium solidification structure were rationalized using a combination of thermodynamic and thermal modeling. Both alloys showed higher yield strength than AM Al-10Si-Mg for temperatures up to 350 °C and better strength retention at elevated temperatures than additively manufactured Scalmaloy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Catalytic deconstruction of organic additive-containing plastics

Plastics waste ends up in landfills, oceans, and incinerators, posing major environmental and human health threats. Catalytic deconstruction is emerging as a key technological solution to handle complex plastics and has successfully converted virgin polymers into various products. Here, we investigate the resilience of chemical deconstruction technologies to organic additives, which are ubiquitous in plastics. We study catalyst-additive interactions experimentally and via first-principles calculations for plastics additives representative of entire classes. We reveal two deactivation mechanisms and demonstrate that many recently developed catalysts are inadequate for polyolefin conversion due to poisoning caused by the strong adsorption of most additives or their small fragments. Furthermore, we also identify conditions and catalysts that can circumvent the challenge of deconstruction in the presence of additives challenge.

10 SYNTHETIC FUELS↗
DOE OSTI2015

Dinuclear versus mononuclear pathways in zinc mediated nucleophilic addition: a combined experimental and DFT study

Employing the oxidative coupling of phenylacetylene with benzaldehyde as a model reaction, a density functional theory (DFT) study combined with extended X-ray absorption fine structure (EXAFS) experiment was carried out to reveal the difference between dinuclear and mononuclear zinc mediated nucleophilic addition. Newly reported DFT method M11-L computed results suggest that the mononuclear zinc mediated pathway, in which nucleophilic addition occurs via a four-membered ring transition state, is unfavourable both thermodynamically and kinetically. The dinuclear zinc mechanism, which appropriately explains the experimental observations, involves a six-membered ring transition state for nucleophilic addition. Further, subsequent in situ EXAFS experiment confirmed the existence of dinuclear zinc active species. Moreover, frontier molecular orbital (FMO) analysis and distortion–interaction energy analysis along the whole reaction pathways have provided interpretations for the advantage of dinuclear zinc mediated nucleophilic addition. Consequently, we believe this dinuclear zinc pathway will open up a general consideration of the dinuclear zinc mechanism for nucleophilic additions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Parallel bulk heterojunction photovoltaics based on all-conjugated block copolymer additives

We demonstrated that the addition of block copolymers to binary donor–acceptor blends represents an effective approach to target equilibrium, co-continuous morphologies of interpenetrating donors and acceptors in our recent study. We report a study of the impact of all-conjugated poly(thieno[3,4-b]-thiophene-co-benzodithiophene)-b-polynaphthalene diimide (PTB7-b-PNDI) block copolymer additives on the electronic properties and photovoltaic performance of bulk heterojunction organic photovoltaic active layers comprised of a PTB7 donor and a phenyl-C61-butyric acid methyl ester (PCBM61) acceptor. We find that small amounts of BCP additives lead to improved performance due to a large increase in the device open-circuit voltage (VOC), and the VOC is pinned to this higher value for higher BCP additive loadings. Such results contrast prior studies of ternary blend OPVs where either a continuous change in VOC or a value of VOC pinned to the lowest value is observed. We hypothesize and provide evidence in the form of device and morphology analyses that the impact of VOC is likely due to the formation of a parallel bulk heterojunction made up of isolated PCBM and PNDI acceptor domains separated by intermediate PTB7 donor domains. Our work demonstrates that all-conjugated block copolymers can be utilized as additives to both dictate morphology and modulate the electronic properties of the active layer.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Visualization of the effect of additives on the nanostructures of individual bio-inspired calcite crystals

Soluble additives provide a versatile strategy for controlling crystallization processes, enabling selection of properties including crystal sizes, morphologies, and structures. Here, the additive species can also be incorporated within the crystal lattice, leading for example to enhanced mechanical properties. However, while many techniques are available for analyzing particle shape and structure, it remains challenging to characterize the structural inhomogeneities and defects introduced into individual crystals by these additives, where these govern many important material properties. Here, we exploit Bragg coherent diffraction imaging to visualize the effects of soluble additives on the internal structures of individual crystals on the nanoscale. Investigation of bio-inspired calcite crystals grown in the presence of lysine or magnesium ions reveals that while a single dislocation is observed in calcite crystals grown in the presence of lysine, magnesium ions generate complex strain patterns. Indeed, in addition to the expected homogeneous solid solution of Mg ions in the calcite lattice, we observe two zones comprising alternating lattice contractions and relaxation, where comparable alternating layers of high magnesium calcite have been observed in many magnesium calcite biominerals. Such insight into the structures of nanocomposite crystals will ultimately enable us to understand and control their properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Toxicity of hydraulic fracturing wastewater from black shale natural-gas wells influenced by well maturity and chemical additives

Hydraulic fracturing of deep shale formations generates large volumes of wastewater that must be managed through treatment, reuse, or disposal. Produced wastewater liberates formation-derived radionuclides and contains previously uncharacterized organohalides thought to be generated within the shale well, both posing unknown toxicity to human and ecological health. Here, we assess the toxicity of 42 input media and produced fluid samples collected from four wells in the Utica formation and Marcellus Shale using two distinct endpoint screening assays. Broad spectrum acute toxicity was assessed using a bioluminescence inhibition assay employing the halotolerant bacterium Aliivibrio fischeri, while predictive mammalian cytotoxicity was evaluated using a N-acetylcysteine (NAC) thiol reactivity assay. The acute toxicity and thiol reactivity of early-stage flowback was higher than later produced fluids, with levels diminishing through time as the natural gas wells matured. Acute toxicity of early stage flowback and drilling muds were on par with the positive control, 3,5-dichlorophenol (6.8 mg L -1 ). Differences in both acute toxicity and thiol reactivity between paired natural gas well samples were associated with specific chemical additives. Samples from wells containing a larger diversity and concentration of organic additives resulted in higher acute toxicity, while samples from a well applying a higher composition of ammonium persulfate, a strong oxidizer, showed greater thiol reactivity, predictive of higher mammalian toxicity. Both acute toxicity and thiol reactivity are consistently detected in produced waters, in some cases present up to nine months after hydraulic fracturing. These results support that specific chemical additives, the reactions generated by the additives, or the constituents liberated from the formation by the additives contribute to the toxicity of hydraulic fracturing produced waters and reinforces the need for careful consideration of early produced fluid management.

03 NATURAL GAS↗
DOE OSTI2014

Communication: Non-additivity of van der Waals interactions between nanostructures

Due to size-dependent non-additivity, the van der Waals interaction (vdW) between nanostructures remains elusive. Here we first develop a model dynamic multipole polarizability for an inhomogeneous system that allows for a cavity. The model recovers the exact zero- and high-frequency limits and respects the paradigms of condensed matter physics (slowly varying density) and quantum chemistry (one- and two-electron densities). We find that the model can generate accurate vdW coefficients for both spherical and non-spherical clusters, with an overall mean absolute relative error of 4%, without any fitting. Based on this model, we study the non-additivity of vdW interactions. We find that there is strong non-additivity of vdW interactions between nanostructures, arising from electron delocalization, inequivalent contributions of atoms, and non-additive many-body interactions. Furthermore, we find that the non-additivity can have increasing size dependence as well as decreasing size dependence with cluster size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of molybdenum additions on the microstructures and corrosion behaviours of 316L stainless steel-based alloys

Alloys were made by alloying 5, 10, 15, 17.5, and 20 wt % Mo with Type 316L stainless steel. Sigma phases containing 21–29 wt % Mo formed along the austenite grain boundaries with the addition of 5 wt % Mo and increased with additions up to 15 wt % Mo, but they decreased with further additions. Laves phases containing 33–40 wt % Mo co-precipitated at additions of 10 wt % Mo which increased with further Mo increases. The corrosion resistance, assessed by potentiodynamic polarisation in a 10 mM NaCl solution adjusted to pH 4, increased relative to Type 316L for alloys made with 5 and 10 wt % added Mo, but decreased with further additions due to preferential corrosion of the Laves phase. The alloy made with 10 wt % added Mo had the highest corrosion resistance due primarily to the high Mo content of the austenite.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing Multi-Robot Placements for Wire Arc Additive Manufacturing

Wire arc additive manufacturing is a metal additive manufacturing process in which the material is deposited using arc welding technology. It is gaining popularity due to high material deposition rates and faster build time. It is en-abled using robotic manipulators and can build relatively large-scale parts faster when compared with other metal additive manufacturing processes. However, the size of the large-scale parts is limited by the size of the industrial manipulator being used for the process. This limitation is overcome by using a fixed configuration multi-robot cell in which manipulators work cooperatively to build large-scale parts quickly. A fixed multi-robot cell with closely spaced industrial manipulators has high flexibility, but it restricts the part size that can be built. If the manipulators are spread out, the cell loses its flexibility but can build relatively larger parts. This issue can be avoided by using larger size manipulators, which are expensive, or by moving the modest size manipulators based on the part geometries. This paper presents a novel algorithm to generate multi-robot placements for different part geometries to be built using wire arc additive manufacturing. Furthermore, the algorithm hierarchically optimizes the build time and the inverse kinematics consistency in robot paths to improve the process efficiency and part quality. We compare the results with fixed multi-robot cells and provide insights to users to make an informed decision on whether to use a fixed or a flexible multi-robot cell for wire arc additive manufacturing.

Bhatt, Prahar↗
DOE OSTI2017

Freeze-cast yttria-stabilized zirconia pore networks: Effects of alcohol additives

Freeze casting yttria-stabilized zirconia (YSZ) can be useful in making electrodes for solid oxide fuel cells (SOFCs) by introducing hierarchical porosity to increase triple-phase boundary (TPB) area while maintaining adequate fuel flow. Here, in this work, the influence of alcohol additives on pore structure of aqueous YSZ freeze-cast samples was investigated. Slurries with ethanol, iso-propyl alcohol, or methanol as additives were compared to a control sample. Pore characteristics along sample lengths were measured using X-ray computed tomography reconstructions. The control sample showed significant changes in pore size along sample length, whereas pore size of the alcohol additive samples remained similar, indicating that freezing rates of the additive samples remained constant during solidification. Finally, ice lens formation and interactions between alcohols and slurry functional additives (dispersant, surfactant, and binder) resulted in complex pore structures which show promise in increasing SOFC TPB area.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effects of heating rate, quartz particle size, viscosity, and form of glass additives on high‐level waste melter feed volume expansion

Abstract Nuclear waste can be vitrified by mixing it with glass‐forming and ‐modifying additives. The resulting feed is charged into an electric glass melter. To comprehend melting behavior of a high‐alumina melter feed, we monitored the volume expansion of pellets in response to heating at different heating rates. The feeds were prepared with different particle sizes of quartz (the major additive component) and with varied silica‐to‐fluxes ratio to investigate the glass melt viscosity effects. Also, we used additional melter feeds with additives premelted into glass frit. The volume of pellets was nearly constant at temperatures <600°C. After a short period of volume shrinkage at ~600°C‐700°C, foam generation produced massive volume expansion. The low heat conductivity of foam hinders the transfer of heat from molten glass to the reacting feed. The extent of foaming increased with faster heating and higher melt viscosity, and decreased with increasing size of quartz particles and fritting of the additives. Volume expansion data are needed for the mathematical modeling of the cold cap.

Lee, SeungMin↗
DOE OSTI2021

Convection in Scaled Turbine Internal Cooling Passages With Additive Manufacturing Roughness

Abstract Additive manufacturing processes, such as direct metal laser sintering (DMLS), enable the creation of novel turbine cooling internal passages and systems. However, the DMLS method produces a significant and unique surface roughness. Previous work in scaled passages analyzed pressure losses and friction factors associated with the rough surfaces, as well as investigated the velocity profiles and turbulent flow characteristics within the passage. In this study, the heat transfer characteristics of scaled additively manufactured surfaces were measured using infrared (IR) thermography. Roughness panels were CNC machined from plates of aluminum 6061 to create near isothermal roughness elements when heated. Fluid resistance differences between the aluminum roughness panels and roughness panels constructed from ABS plastic using the same roughness patterns from McClain et al. (2020, “Flow in a Simulated Turbine Blade Cooling Channel With Spatially Varying Roughness Caused by Additive Manufacturing Orientation,” ASME Turbo Expo 2020, Turbomachinery Technical Conference and Exposition, Virtual Conference, Sept. 21–25, GT2020-16069) were investigated. Finally, the overall thermal performance enhancements and friction losses were assessed through the calculation of surface averaged “global thermal performance” ratios. The global thermal performance characterizations indicate results in-line with those found for traditional commercial roughness and slightly below traditional internal passage convection enhancement methods such as swirl chambers, dimples, and ribs. The passages investigated in this study do not include compressibility effects or the long-wavelength artifacts and channel geometric deviations observed by Wildgoose et al. (2020, “Impact of Additive Manufacturing on Internal Cooling Channels with Varying Diameters and Build Directions,” ASME Turbo Expo 2020, Turbomachinery Technical Conference and Exposition, Virtual Conference, Sept. 21–25, GT2020-15049). However, the results of this study indicate that, based on the roughness augmentation alone, artificial convective cooling enhancers such as turbulators or dimples may still be required for additively manufactured turbine component cooling.

Engineering↗