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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The effect of boron addition on microstructure and mechanical properties of biomedical Ti35Nb6Ta alloy

The beta-titanium alloys are promising materials for bioapplications but their processing via melting is difficult. Coarse grains have been observed in as-cast specimens. Subsequent thermo-mechanical processing seems to be necessary in order to obtain fine-grained microstructure with better mechanical properties. The grain size can be decreased significantly by addition of small boron amount. In this work Ti–35Nb–6Ta alloy with various B additions (0, 0.05, 0.1, 0.3 and 0.5 wt.%) has been studied. Even the smallest amount of B leads to significant grain refinement in Ti–35Nb–6Ta alloy (from 1300 to about 350 μm). Slight grain refinement has been observed also after hot forging and solution treatment. TiB particles emerged in specimens due to B addition. These particles contribute to changes in mechanical properties not only in hot forged and solution treated specimens (hardness increase from 140 to 180 HV10), but also in cold swaged specimens (hardness from 230 to 250 HV10, tensile strength from 800 to 920 MPa). The hardness values can be increased up to 370 HV10 during aging at 400 °C (specimen with 0.5 wt.% B). It has been observed that specimens with low boron addition 0.05 wt.% possess no cytotoxicity. On the other hand in specimens with 0.1 wt.% B or more slight adverse effect on cytotoxicity has been observed. - Highlights: • The influence of boron on microstructure and mechanical properties has been studied. • Beta-transus temperature has been determined. • Cytotoxicity depending on boron content has been evaluated. • Possibility of final heat treatment has been determined.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effects of Ce additions on the age hardening response of Mg–Zn alloys

The effects of Ce additions on the precipitation hardening behaviour of Mg–Zn are examined for a series of alloys, with Ce additions at both alloying and microalloying levels. The alloys are artificially aged, and studied using hardness measurement and X-ray diffraction, as well as optical and transmission electron microscopy. It is found that the age-hardening effect is driven by the formation of fine precipitates, the number density of which is related to the Zn content of the alloy. Conversely, the Ce content is found to slightly reduce hardening. When the alloy content of Ce is high, large secondary phase particles containing both Ce and Zn are present, and remain stable during solutionizing. These particles effectively reduce the amount of Zn available as solute for precipitation, and thereby reduce hardening. Combining hardness results with thermodynamic analysis of alloy solute levels also suggests that Ce can have a negative effect on hardening when present as solutes at the onset of ageing. This effect is confirmed by designing a pre-ageing heat treatment to preferentially remove Ce solutes, which is found to restore the hardening capability of an Mg–Zn–Ce alloy to the level of the Ce-free alloy. - Highlights: • The effects of Ce additions on precipitation in Mg–Zn alloys are examined. • Additions of Ce to Mg–Zn slightly reduce the age-hardening response. • Ce-rich secondary phase particles deplete the matrix of Zn solute. • Hardening is also decreased when Ce is present in solution. • Pre-ageing to preferentially precipitate out Ce restores hardening capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of friction stir processing and minor Sc addition on the microstructure, mechanical properties, and damping capacity of 7055 Al alloy

Highlights: • Good mechanical and damping properties were obtained in the 7055 after FSP and Sc addition. • The strengthening and damping mechanisms of FSP 7055(-Sc) were analyzed. • FSP and Sc addition were found to be strategy of preparing 7xxx alloys with well damping and mechanical properties. - Abstract: This study investigated the effects of friction stir processing (FSP) and addition of 0.25% (mass ratio) Sc on the microstructure, mechanical properties, and damping capacity of AA 7055 alloy. Microstructure analyses revealed that a low tool rotation rate of 300 rpm effectively inhibited the grain coarsening in the recrystallization of the alloy during FSP. Sc addition prevented the coarsening of grains and precipitated η phase and the annihilation of dislocations in the FSP AA 7055 alloy. After being subjected to FSP at 300 rpm, the AA 7055 alloy containing Sc exhibited good mechanical and damping properties, which were mainly attributed to the fine recrystallized grain structure, fine precipitated η phase, and large number of nano-sized Al{sub 3}(Sc, Zr) particles located at the grain boundaries and dislocations. This work provides an effective strategy for preparing commercial Al alloys with excellent damping capacity and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Ce addition on the microstructure and properties of Al-Cu-Mn-Mg-Fe lithium battery shell alloy

Highlights: • Al{sub 6}(Mn, Fe) particles could be remarkably refined by Ce alloying. • Ce addition to the alloy promoted precipitation of S' phase. • Ce-containing alloy had higher tensile strength than that of Ce-free alloy. • Ce-containing alloy had positive corrosion potential and lower corrosion current density. - Abstract: Effect of Ce addition on the microstructures, mechanical properties and electrochemical properties of Al-Cu-Mn-Mg-Fe lithium battery alloy was investigated by optical microscope (OM), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), tensile testing and electrochemical testing. Experimental results indicate that Ce addition resulted in the formation of Al{sub 8}Cu{sub 4}Ce phase in the Al-Cu-Mn-Mg-Fe alloy. The Ce-containing precipitates nucleated and grew up along the surface of Al{sub 6}(Mn, Fe) precipitates. Al{sub 6}(Mn, Fe) precipitates could be remarkably refined by Ce alloying. The aging precipitation behavior of S' phases could be promoted after Ce addition to the alloy. In comparison with Ce-free alloy, the Ce-containing alloy had higher tensile strength at both low temperature and elevated temperature. Especially at 200 °C, the yield strength and tensile strength of Ce-containing alloy substantially increased by 23.4% and 27.08%, respectively. Potentiodynamic polarization testing indicated that the Ce-containing alloy had a more positive corrosion potential and a lower corrosion current density.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Zn addition on the age hardening behavior and precipitation evolution of an Al-Mg-Si-Cu alloy

Highlights: • The Zn addition enhances the age hardening response of Al-Mg-Si-Cu alloy. • The major of Zn remains in the Al matrix during artificial aging at 170 °C. • The Zn addition prompts the formation of solute clusters, GP zones and β″ precipitates. - Abstract: The effects of Zn on the age hardening behavior and corresponding microstructure of an Al-0.9Mg-0.8Si-0.2Cu (wt%) alloy were investigated by hardness testing, transmission electron microscopy (TEM) and three-dimensional atom probe (3DAP). During aging for up to 8 h at 170 °C (peak hardness condition), the addition of Zn does not alter the precipitation sequence of the Al-Mg-Si alloy, which can be expressed as: supersaturated solid solution → solute clusters → GP zones → β″. The Zn does not significantly partition into clusters or precipitates, and the majority of Zn remains in the Al matrix, prompting the formation of solute clusters during the early stage of aging and subsequently stimulating the transformation from solute clusters to GP zones to β″ precipitates. The characterization of precipitation evolution caused by Zn addition correlates well with the observed enhanced age hardening response.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparing the deformation mechanism in 316 L stainless steel fabricated by hybrid and additive manufacturing

This study rationalizes the relatively higher elongation with minimal strength drop of 316L stainless steel (316LSS) manufactured using the hybrid approach in comparison to a fully additive approach followed by machining. It was found that twinning was the dominant deformation mechanism in 316LSS produced by both additive and hybrid approaches. Additionally, the relatively lower fraction of twins in the as-fabricated state of hybrid approach compared to a fully additive approach resulted in delaying the onset of steady-state strain hardening rate to higher strain levels, thereby resulting in an overall increase in elongation to failure.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Bayesian inferencing framework for ultrasound wave speed measurements in metal additive manufacturing

Process-related changes during metal additive manufacturing introduce microstructural variability in the material properties of printed parts, directly affecting component reliability. Accurate estimation of these property variations with part performance are essential for quality assurance. Ultrasound testing offers a non-destructive means to estimate mechanical properties and detect defects; however, conventional analysis methods often neglect the influence of microstructural variability, limiting their effectiveness. Here, this research presents a Bayesian inference technique for quantifying wave speed uncertainty from ultrasound measurements of metal additive manufactured parts. By integrating prior ultrasound data with a Bayesian model, the proposed approach generates posterior density estimates of wave speed that systematically account for manufacturing-induced variability and uncertainty. The novelty of this research lies in applying a Bayesian framework to analyze experimental ultrasound measurements within the context of metal additive manufacturing variability. The method enhances the accuracy of wave speed estimation by 64%, defect position by 50% and increases confidence associated with wave speed variance by 30% across different porosity levels, thereby providing a robust foundation for improved decision-making and increased reliability in additively manufactured components.

Additive manufacturing↗
DOE OSTI2021

The impact of the third O 2 addition reaction network on ignition delay times of neo-pentane

In this work, we studied the oxidation of neo-pentane by combining experiments, theoretical calculations, and mechanistic developments to elucidate the impact of the 3rd O 2 addition reaction network on ignition delay time predictions. The experiments are based on photoionization mass spectrometry in jet-stirred and time-resolved flow reactors allowing for sensitive detection of the keto-hydroperoxide (KHP) and keto-dihydroperoxide (KDHP) intermediates. With neo-pentane exhibiting a unique symmetric molecular structure, which consequently results only in single KHP and KDHP isomers, theoretical calculations of ionization and fragment appearance energies and of absolute photoionization cross sections enabled the unambiguous identification and quantification of the KHP intermediate. Its temperature and time-resolved profiles together with calculated and experimentally observed KHP-to-KDHP signal ratios were compared to simulation results based on a newly developed mechanism that describes the 3rd O 2 addition reaction network. A satisfactory agreement has been observed between the experimental data points and the simulation results, thus adding confidence to the model's overall performance. Finally, this mechanism was used to predict ignition delay times reported previously in shock tube and rapid compression machine experiments (J. Bugler et al., Combust. Flame 163 (2016) 138–156). While the model accurately reproduces the experimental data, simulations with and without the 3rd O 2 addition reaction network included reveal only a negligible effect on the predicted ignition delay times at 10 and 20 atm. According to model calculations, low temperatures and high pressures promote the importance of the 3rd O2 addition reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nonsacrificial Additive for Tuning the Cathode–Electrolyte Interphase of Lithium-Ion Batteries

Solid–electrolyte interphases is essential for stable cycling of rechargeable batteries. The traditional approach for interphase design follows the decomposition of additives prior to the host electrolyte, which, as governed by the thermodynamic rule, however, inherently limits the viable additives. Here we report an alternative approach of using a nonsacrificial additive. This is exemplified by the localized high-concentration electrolytes, where the fluoroethylene carbonate (FEC) plays a nonsacrificial role for modifying the chemistry, structure, and formation mechanism of the cathode–electrolyte interphase (CEI) layers toward enhanced cycling stability. On the basis of ab initio molecular dynamics simulations, we further reveal that the unexpected activation of the otherwise inert species in the interphase formation is due to the FEC–Li + coordinated environment that altered the electronic states of reactants. In conclusion, the nonsacrificial additive on CEI formation opens up alternative avenues for the interphase design through the use of the commonly overlooked, anodically stable compounds.

25 ENERGY STORAGE↗
DOE OSTI2016

Mechanistic Insight in the Function of Phosphite Additives for Protection of LiNi 0.5 Co 0.2 Mn 0.3 O 2 Cathode in High Voltage Li-Ion Cells

Triethlylphosphite (TEP) and tris(2,2,2-trifluoroethyl) phosphite (TTFP) have been evaluated as electrolyte additives for high-voltage Li-ion battery cells using a Ni-rich layered cathode material LiNi0.5Co0.2Mn0.3O2 (NCM523) and the conventional carbonate electrolyte. The repeated charge/discharge cycling for cells containing 1 wt% of these additives was performed using an NCM523/graphite full cell operated at the voltage window from 3.0 to 4.6 V. During the initial charge process, these additives decompose on the cathode surface at a lower oxidation potential than the baseline electrolyte. Impedance spectroscopy and post-test analyses indicate the formation of protective coatings by both additives on the cathode surface that prevent oxidative breakdown of the electrolyte. However, only TTFP containing cells demonstrate the improved capacity retention and Coulombic efficiency. For TEP, the protective coating is also formed, but low Li+ ion mobility through the interphase layer results in inferior performance. These observations are rationalized through the inhibition of electrocatalytic centers present on the cathode surface and the formation of organophosphate deposits isolating the cathode surface from the electrolyte. The difference between the two phosphites clearly originates in the different properties of the resulting phosphate coatings, which may be in Li+ ion conductivity through such materials.

Electrolyte additives↗
DOE OSTI2023

Green Additive Limits Runaway Crystallinity in PM6:Y6 Organic Solar Cells but Causes Field-Independent Geminate Recombination

Solvent additives are well-established for improving device performance of organic solar cells by enhancing nanodomain phase separation and crystallization. However, optimum additive concentrations are typically at trace amounts with slight fluctuations causing runaway crystallinity that short the device and limit scale-up potential. Furthermore, we show that a nonhalogenated solvent additive 1-phenylnaphthalene (PN) can be used to optimize high-performance PM6:Y6 devices, but without runaway crystallinity even at concentrations 10× above the optimum. Our holistic analysis of device losses shows that PN increases photoabsorption while decreasing bimolecular recombination. However, above the optimum, charge generation is reduced due to field-independent geminate recombination of charge transfer states that overcomes the other benefits. Rotated Y6 crystallite orientation is a likely culprit, where the device electric field is ineffective at separating the charges. Despite this, device performance remains higher than that of traditional additives, indicating a route to avoiding the high sensitivity of performance to processing conditions.

14 SOLAR ENERGY↗
DOE OSTI2013

Effects of flux additives on the characteristics of Y{sub 2.95}Al{sub 5}O{sub 12}:0.05Ce{sup 3+} phosphor: Particle growth mechanism and luminescence

The dependence of the amount of the BaF{sub 2} flux additive on the luminescence of Y{sub 2.95}Al{sub 5}O{sub 12}:0.05Ce{sup 3+} phosphors was investigated. The integrated emission intensity of Y{sub 2.95}Al{sub 5}O{sub 12}:0.05Ce{sup 3+} prepared without the flux was enhanced by 29% with the addition of BaF{sub 2} flux at the optimum amount of 6 wt. %. Such an enhancement can be attributed to the purer phase of Y{sub 3}Al{sub 5}O{sub 12} and the morphology change from the irregular shape to spherical shape with the smoother surface due to the flux. The morphology and luminescence of Y{sub 2.95}Al{sub 5}O{sub 12}:0.05Ce{sup 3+} prepared with the 6 wt. % BaF{sub 2} flux additive (Sample II) were further compared with those of Y{sub 2.95}Al{sub 5}O{sub 12}:0.05Ce{sup 3+} prepared with the 7 wt. % H{sub 3}BO{sub 3} flux additive (Sample I). The particle size, particle shape, and integrated emission intensity (λ{sub ex} = 450 nm) of the former were found to be larger, more regular, and 6% higher than those of the latter. The difference in the morphology of Samples I and II, which led to the difference in the emission intensity and the external quantum efficiency, were well explained by the particle growth mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Porosity of additive manufacturing parts for process monitoring

Some metal additive manufacturing processes can produce parts with internal porosity, either intentionally (with careful selection of the process parameters) or unintentionally (if the process is not well-controlled.) Material porosity is undesirable for aerospace parts - since porosity could lead to premature failure - and desirable for some biomedical implants, since surface-breaking pores allow for better integration with biological tissue. Changes in a part's porosity during an additive manufacturing build may also be an indication of an undesired change in the process. We are developing an ultrasonic sensor for detecting changes in porosity in metal parts during fabrication on a metal powder bed fusion system, for use as a process monitor. This paper will describe our work to develop an ultrasonic-based sensor for monitoring part porosity during an additive build, including background theory, the development and detailed characterization of reference additive porosity samples, and a potential design for in-situ implementation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Hydrogenation of O and OH on Pt(111): A comparison between the reaction rates of the first and the second hydrogen addition steps

The formation of water through hydrogenation of oxygen on platinum occurs at a surprisingly low reaction rate. The reaction rate limited process for this catalytic reaction is, however, yet to be settled. In the present work, the reaction rates of the first and the second hydrogen addition steps are compared when hydrogen is obtained through intense synchrotron radiation that induces proton production in a water overlayer on top of the adsorbed oxygen species. A substantial amount of the produced hydrogen diffuses to the platinum surface and promotes water formation at the two starting conditions O/Pt(111) and (H{sub 2}O+OH)/Pt(111). The comparison shows no significant difference in the reaction rate between the first and the second hydrogen addition steps, which indicates that the rate determining process of the water formation from oxygen on Pt(111) is neither the first nor the second H addition step or, alternatively, that both H addition steps exert rate control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Non-pairwise additivity of the leading-order dispersion energy

The leading-order (i.e., dipole-dipole) dispersion energy is calculated for one-dimensional (1D) and two-dimensional (2D) infinite lattices, and an infinite 1D array of infinitely long lines, of doubly occupied locally harmonic wells. The dispersion energy is decomposed into pairwise and non-pairwise additive components. By varying the force constant and separation of the wells, the non-pairwise additive contribution to the dispersion energy is shown to depend on the overlap of density between neighboring wells. As well separation is increased, the non-pairwise additivity of the dispersion energy decays. The different rates of decay for 1D and 2D lattices of wells is explained in terms of a Jacobian effect that influences the number of nearest neighbors. For an array of infinitely long lines of wells spaced 5 bohrs apart, and an inter-well spacing of 3 bohrs within a line, the non-pairwise additive component of the leading-order dispersion energy is −0.11 kJ mol{sup −1} well{sup −1}, which is 7% of the total. The polarizability of the wells and the density overlap between them are small in comparison to that of the atomic densities that arise from the molecular density partitioning used in post-density-functional theory (DFT) damped dispersion corrections, or DFT-D methods. Therefore, the nonadditivity of the leading-order dispersion observed here is a conservative estimate of that in molecular clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A study of internal structure in components made by additive manufacturing process using 3 D X-ray tomography

Additive manufacturing methods are gaining increasing popularity for rapidly and efficiently manufacturing parts and components in the industrial context, as well as for domestic applications. However, except when used for prototyping or rapid visualization of components, industries are concerned with the load carrying capacity and strength achievable by additive manufactured parts. In this paper, the wire-arc additive manufacturing (AM) process based on gas tungsten arc welding (GTAW) has been examined for the internal structure and constitution of components generated by the process. High-resolution 3D X-ray tomography is used to gain cut-views through wedge-shaped parts created using this GTAW additive manufacturing process with titanium alloy materials. In this work, two different control conditions for the GTAW process are considered. The studies reveal clusters of porosities, located in periodic spatial intervals along the sample cross-section. Such internal defects can have a detrimental effect on the strength of the resulting AM components, as shown in destructive testing studies. Closer examination of this phenomenon shows that defect clusters are preferentially located at GTAW traversal path intervals. These results highlight the strong need for enhanced control of process parameters in ensuring components with minimal defects and higher strength.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of boron addition on the structure and magnetic properties of CoPt nanoparticles

The effect of B addition on CoPt nanoparticles was investigated. The CoPt-B nanoparticles were synthesized by means of the polyol process. Transmission electron microscopy has shown that the as-synthesized particles have a spherical morphology with average size about 2–3 nm. The X-ray absorption spectroscopy and the X-ray diffraction technique showed the effect of B concentration on phase transformation. The addition of B at up to 60% promoted the formation of the L1{sub 0} phase when the nanoparticles were subjected to annealing at 600 °C. If the B content is higher than 60%, the phase transition is suppressed. The evidence of B addition on the structure of CoPt nanoparticles was further supported by the magnetic measurements. The results show that the coercivity of the annealed CoPt-B nanoparticles was enhanced by the B additions from 20% to 60%, with the maximum coercivity of 12 000 Oe for the CoPt-40%B sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Internal additive noise effects in stochastic resonance using organic field effect transistor

Stochastic resonance phenomenon was observed in organic field effect transistor using poly(3-hexylthiophene), which enhances performance of signal transmission with application of noise. The enhancement of correlation coefficient between the input and output signals was low, and the variation of correlation coefficient was not remarkable with respect to the intensity of external noise, which was due to the existence of internal additive noise following the nonlinear threshold response. In other words, internal additive noise plays a positive role on the capability of approximately constant signal transmission regardless of noise intensity, which can be said “homeostatic” behavior or “noise robustness” against external noise. Furthermore, internal additive noise causes emergence of the stochastic resonance effect even on the threshold unit without internal additive noise on which the correlation coefficient usually decreases monotonically.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗