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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Wetting Behavior of Calcium Ferrite Slags on Cristobalite Substrates

Calcium ferrite (CF) is a significant intermediate adhesive phase in high-basicity sinters. The wettability between calcium ferrite (CF) and gangue plays an important role in the assimilation process. The wettability of CF-based slags, in which a constant amount (2 mass pct.) of Al{sub 2}O{sub 3}, MgO, SiO{sub 2}, and TiO{sub 2} was added, on solid SiO{sub 2} (cristobalite) substrates at 1523 K (1250 °C) was investigated. The interfacial microstructure and spreading mechanisms were discussed for each sample. All the tested slag samples exhibited good wettability on the SiO{sub 2} substrate. The initial apparent contact angles were in the range of 20 to 50 deg, while the final apparent contact angles were ~ 5 deg. The wetting process could be divided into three stages on the basis of the change in diameter, namely the “linear spreading” stage, “spreading rate reduction” stage, and “wetting equilibrium” stage. It was found that the CF-SiO{sub 2} wetting system exhibits dissolutive wetting and the dissolution of SiO{sub 2} into slag influences its spreading process. The spreading rate increases with a decrease in the ratio of viscosity to interfacial tension, which is a result of the addition of Al{sub 2}O{sub 3}, MgO, SiO{sub 2}, and TiO{sub 2}. After cooling, a deep corrosion pit was formed in the substrate and a diffusion layer was generated in front of the residual slag zone; further, some SiO{sub 2} and Fe{sub 2}O{sub 3} solid solutions precipitated in the slag.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Static Recrystallization and Precipitation on Mechanical Properties of 00Cr12 Ferritic Stainless Steel

The 00Cr12 ferritic stainless steel samples were isothermally held at different temperatures in the range of 700 °C to 1000 °C to investigate the effect of static recrystallization and precipitation on mechanical properties, such as microhardness, tensile strength, and yield strength. The results show that the formation of the fine recrystallized grain, as well as precipitation, coarsening, and dissolution of the second-phase particles, influences the mechanical properties remarkably. The fine recrystallized grain can provide a positive grain boundary-strengthening effect in the sample under a relatively high holding temperature. Coarsening and dissolution of M{sub 23}C{sub 6} result in partial depletion of precipitate hardening. In contrast, the size and number density of MX particles are almost constant, regardless of the holding temperature; therefore, it can provide a better precipitation-hardening effect.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Fundamentals of Hydrogen Solubility in Calcium-Alumino-Silicate Molten Fluxes Containing NaF

The effect of the NaF and CaO/SiO{sub 2} ratio (mass percentage ratio) on hydrogen solubility in a CaO-SiO{sub 2}-Al{sub 2}O{sub 3}-NaF system was studied and correlated to the structural units of the molten flux. Fourier transformed infrared, Raman, and X-ray photoelectron spectroscopy analyses were used to evaluate the structural units with NaF additions and various CaO/SiO{sub 2} ratios. At a CaO/SiO{sub 2} ratio of 0.8, the incorporated-hydroxyl dissolution mechanism is dominant, whereas the free-hydroxyl mechanism is pronounced at higher CaO/SiO{sub 2} ratio. At low NaF contents, the hydrogen solubility as a function of the CaO/SiO{sub 2} ratio showed a parabolic trend with a minimum typical of a change from incorporated- to a free-hydroxyl dissolution mechanism. The addition of network-modifying NaF depolymerizes the structural units of the flux, reducing the available sites for incorporated-hydroxyl groups. The hydrogen solubility behavior in the flux system correlates well with the structural analysis, where a high NaF content and CaO/SiO{sub 2} ratio are shown to depolymerize the complex structural units of the molten flux.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influence of Al{sub 2}O{sub 3} Level in CaO-SiO{sub 2}-MgO-Al{sub 2}O{sub 3} Refining Slags on Slag/Magnesia-Doloma Refractory Interactions

The influence of the Al{sub 2}O{sub 3} level in CaO-SiO{sub 2}-MgO-Al{sub 2}O{sub 3} (CSMA) stainless steel refining slags on the degradation of magnesia-doloma refractories was investigated through static refractory finger corrosion tests. The tests were performed at 1620 °C under Ar atmosphere, using slags with Al{sub 2}O{sub 3} contents of 5, 10, and 20 wt pct, respectively. The results indicate that the formation of 2CaO·SiO{sub 2} at the slag/refractory interface was suppressed by increasing the Al{sub 2}O{sub 3} content to 20 wt pct, thereby changing the corrosion mechanism from an indirect dissolution to a direct dissolution of CaO and MgO from the refractories. The increased solubility limit of MgO by the Al{sub 2}O{sub 3}-rich CSMA slags results in an overall higher corrosion rate of the MgO-doloma refractory.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Oxidation Behavior of Carbon Steel: Effect of Formation Temperature and pH of the Environment

The nature of surface oxide formed on carbon steel piping used in nuclear power plants affects flow-accelerated corrosion. In this investigation, carbon steel specimens were oxidized in an autoclave using demineralized water at various temperatures (150-300 °C) and at pH levels (neutral, 9.5). At low temperatures (< 240 °C), weight loss of specimens due to dissolution of iron in water occurred to a greater extent than weight gain due to oxide formation. With the increase in temperature, the extent of iron dissolution reduced and weight gain due to oxide formation increased. A similar trend was observed with the increase in pH as was observed with the increase in temperature. XRD and Raman spectroscopy confirmed the formation of magnetite. The oxide film formed by precipitation process was negligible at temperatures from 150 to 240 °C compared to that at higher temperatures (> 240 °C) as confirmed by scanning electron microscopy. Electrochemical impedance measurement followed by Mott–Schottky analysis indicated an increase in defect density with exposure duration at 150 °C at neutral pH but a low and stable defect density in alkaline environment. The defect density of the oxide formed at neutral pH at 150-300 °C was always higher than that formed in alkaline environment as reported in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Pitting Corrosion of 10Ni8CrMoV High-Strength Steel Induced by a Potential Perturbation

Pitting corrosion of high-strength steel 10Ni8CrMoV under square wave polarization (SWP) in simulated deep-sea environment is investigated and the possible mechanism is proposed. The results show that potential perturbation generates periodic intensification effect on both anodic and cathodic processes by frequently breaking the electrode equilibrium state. The intensity of periodic intensification effect essentially depends on the concentration gradient of Fe{sup 2+} cations at the steel/solution interface which acts as the forced electrochemical oscillator. The concentration gradient and the resulting concentration polarization effect increase periodically with the increase in SWP potential range. The morphology observation of the pitting and electric charge calculation indicate that the periodic intensification effect can promote the initiation and growth of pits by enhancing the anodic dissolution even under cathodic protection, but it is ineffective below the hydrogen evolution potential. The decrease in either upper or lower potential can mitigate anodic dissolution. Through the statistical analysis of pitting size, it is found that the wide potential range tends to activate the metastable pitting formed under hydrostatic pressure, forming densely distributed pitting. Meanwhile, it is more favorable to the formation of fully grown pits with high size dispersion degree when the proportion of electric charge in the anodic process is higher.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Applying Improved Optical Recognition with Machine Learning on Sorting Cu Impurities in Steel Scrap

Annually, 20–55 million tons of electronic waste (e-waste) is produced worldwide (5% of all municipal solid waste). Although e-waste embodies only 2% of America’s municipal waste, it accounts for a significantly larger proportion of the heavy metals and flame retardants present in the waste stream. Currently, less than 20% of all e-waste is recycled in the United States because the heterogeneity of the feedstock limits the opportunity for reuse in high value products and processing of the waste itself is often too costly to justify handling. To address this concern, the aims of this study are: 1) to identify the major plastic and metal compositions within electronic shredder residue (ESR), 2) to formulate solvents and processing conditions to separate 90% of the plastics targeted from consumer shred ESR, and 3) to develop a process design model to estimate the cost and energy efficiency of the proposed solvent-based processing. In this study, a pre-sorted heterogeneous ESR feedstock (one where aluminum, magnetic components, and hazardous battery materials removed by an e-waste recycling facility) was used, with the major compositions of the ESR characterized. It was found that 25 wt.% of the feedstock was composed of plastics, 6 wt.% rubber, 27 wt.% printed circuit boards, 23% wire, and the remainder metals and capacitors. Within the plastic portion, polystyrene (PS, 40 wt.%), acrylonitrile butadiene styrene (ABS, 25 wt.%), and styrene-acrylonitrile (SAN, 9wt.%) were identified to compose the majority of the screened plastics using Fourier transform infrared spectroscopy (FTIR). Next, selective solvents were screened using Hansen Solubility Parameter Theory (HSP) for dissolving PS and ABS. The pre-screening results show that methylene chloride (dichloromethane, DCM) and tetrahydrofuran (THF) are capable of dissolving the most PS and ABS, while methanol (MeOH) and ethylene glycol (EG) are capable of precipitating the most PS and ABS. These solvents were subsequently used to recover polymers and remove. flame retardants within the ESR feedstock. By optimizing the dissolution time and the solvents used, the highest polymer dissolution yield (99 wt.%%) was achieved using DCM for 48 hr. Both pre-screened anti-solvents (MeOH and EG) showed the highest polymer precipitation yield (71 wt.%). In terms of flame retardant removal rate, EG was found to have a high phosphorus-containing flame retardant removal rate (up to 98%). Characterization shows that the proposed solvent-based processing can preserve a high molecular weight fraction of the polymers and effectively remove flame retardants. Cost analysis indicates that the amount of the solvent/anti-solvent recovered after the reaction would play a critical role in reducing the operating costs. The energy analysis shows that the proposed solvent-based processes can save up to 60% of the embodied energy used to manufacture plastics used in electronics (PS and ABS were used for calculations). The results from this project prove the potential of solvent-based processing to produce secondary materials (plastics and metals) from e-waste for cross-industry reuse.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure chemistry and mechanical properties of Ni-based superalloy Rene N4 under irradiation at room temperature

Nickel superalloys with cubic L12 structured γ' (Ni 3 (Al, Ti)) precipitates exhibit high strength at high temperatures and excellent corrosion resistance when exposed to water. Unlike prior studies on irradiation damage of other Ni-based superalloys, our study on Rene N4 involves much larger γ' precipitates, ~450 nm in size, a size regime where the irradiation-induced disordering and dissolution kinetics and the corresponding mechanical property evolution are unknown. Under heavy ion irradiation at room temperature, the submicron-sized γ' precipitates were fully disordered at ~0.3 dpa and only later partially dissolved after 75 dpa irradiation. Nanoindentation experiments indicate that the mechanical properties of the alloy change significantly, with a dramatic decrease in hardness, with irradiation dose. Three contributions to the change in hardness were examined: defect clusters, disordering and dissolution. Moreover, the generation of defect clusters in the matrix and precipitates slightly increased the indentation hardness, while disordering of the submicron-sized γ' precipitates resulted in a dramatic decrease in the total hardness, which decreased further during the early stages of the intermixing between γ' precipitates and matrix (<18 dpa). As a result, controlling the long-range-ordering and chemical intermixing can be used to tailor the mechanical properties of Ni-based superalloys under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Kinetics of lime/bentonite pozzolanic reactions at 20 and 50 °C: Batch tests and modeling

The effects of duration (1–100 days) and temperature (20 and 50 °C) were assessed from batch tests for Ca-bentonite mixed with 10 wt.% lime. The pozzolanic processes were monitored over time by {sup 29}Si NMR (Cement Concr. Res. 42, 2012), TGA-DTA, XRD and chemical analysis. Modeling considered kinetics and thermodynamics of mineralogical transformations and cation exchange. Kinetic laws were dependent on pH and temperature (Arrhenius energy). Lime hydration occurs within hours, modifying the bentonite exchangeable population and increasing the pH. These alkaline conditions initiate the pozzolanic reactions in a second stage. The rate-limiting step is the dissolution kinetics of the bentonite minerals, i.e. a relatively fast and total consumption of cristobalite in parallel to a long-term slower dissolution of montmorillonite. First C–S–H and then C–A–S–H are formed consequently. Temperature speeds up the pozzolanic reaction kinetics by a factor 5 from 20 to 50 °C, corresponding to an apparent activation energy of 40–50 kJ/mol.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A thermodynamic and kinetic model for paste–aggregate interactions and the alkali–silica reaction

A new conceptual model is developed for ASR formation based on geochemical principles tied to aqueous speciation, silica solubility, kinetically controlled mineral dissolution, and diffusion. ASR development is driven largely by pH and silica gradients that establish geochemical microenvironments between paste and aggregate, with gradients the strongest within the aggregate adjacent to the paste boundary (i.e., where ASR initially forms). Super-saturation of magadiite and okenite (crystalline ASR surrogates) occurs in the zone defined by gradients in pH, dissolved silica, Na{sup +}, and Ca{sup 2} {sup +}. This model provides a thermodynamic rather than kinetic explanation of why quartz generally behaves differently from amorphous silica: quartz solubility does not produce sufficiently high concentrations of H{sub 4}SiO{sub 4} to super-saturate magadiite, whereas amorphous silica does. The model also explains why pozzolans do not generate ASR: their fine-grained character precludes formation of chemical gradients. Finally, these gradients have interesting implications beyond the development of ASR, creating unique biogeochemical environments.

36 MATERIALS SCIENCE↗
DOE OSTI2015

ASR prevention — Effect of aluminum and lithium ions on the reaction products

In spite of the recent progress in the understanding of the mechanisms enabling aluminum-containing SCM like metakaolin and added LiNO{sub 3} to limit the extent of ASR in mortar and concrete, some gaps still remain. They concern mainly the effect of aluminum-containing SCM on the formed ASR products and the influence of aggregate characteristics on the effectiveness of LiNO{sub 3}. In this study, a model system, concrete and mortar were investigated by pore solution analysis, TGA, XRD, NMR, SEM combined with EDX and ToF-SIMS to address these questions. The amount of aluminum present in the pore solution of concrete and mortar is only able to slow down SiO{sub 2} dissolution but not to alter morphology, structure and composition of the reaction products. LiNO{sub 3} can suppress ASR by forming dense products protecting reactive minerals from further reaction. But its effectiveness is decreasing with increasing specific surface area of the reactive minerals in aggregates. - Highlights: • Aluminum of SCM slows down SiO{sub 2} dissolution. • Aluminum of SCM does not alter morphology and structure of ASR product. • ASR suppressing effect of LiNO{sub 3} depends on specific surface area of the aggregates.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Isothermal calorimetry and in-situ XRD study of the NaOH activated fly ash, metakaolin and slag

Much is unknown about the reaction processes responsible for the formation and polycondensation of geopolymers and other alkali activated materials. In this work, isothermal calorimeter and in-situ XRD were adopted to study the heat and mineral evolution of NaOH activated fly ash, metakaolin and ground granulated blast furnace slag. Both activator concentration and temperature have profound influences on duration of exothermal geopolymerization peaks. NaOH activated fly ash is more temperature dependable, with much higher activation energy than metakaolin and slag. The dissolution of source precursor is rapid and the formation of new phases can be detected by the end of the initial dissolution period. The in-situ XRD measurement together with the PONKCS analysis method promotes quantitative estimation of amorphous evolution during alkali activation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Acceleration of OPC by CAC in binary and ternary systems: The role of pore solution chemistry

In dry-mortar-formulations calcium aluminate cement (CAC) is often used as a set accelerator for ordinary Portland cement (OPC). However, a critical amount of CAC is able to delay not only the silicate reaction but also the renewed C{sub 3}A dissolution of an OPC. This delay can be counteracted by adding an appropriate amount of calcium sulfate (C$) to the mix OPC/CAC. The initial hydration period is dominated by fast ettringite formation from CA (CAC) and CaSO{sub 4} from OPC generating early strength. High aluminum and low calcium concentrations in the pore solution probably hinder C-S-H seeding and precipitation, thus preventing alite dissolution. Aluminum has to be initially removed by precipitating hydrate phases to change the pore solution chemistry. The start of the silicate reaction is then induced by increasing the calcium concentration in the pore solution.

36 MATERIALS SCIENCE↗
DOE OSTI2021

GeoMicro3D: A novel numerical model for simulating the reaction process and microstructure formation of alkali-activated slag

Highlights: • The GeoMicro3D model was innovatively developed for simulating the reaction process and microstructure formation of AAS. • In GeoMicro3D, the dissolution of slag and reactions of aqueous ions are fundamentally described in the local lattice cell. • A novel approach is proposed to speed up the nucleation simulations. • GeoMicro3D was implemented and verified with the relevant experimental data and thermodynamic calculation results. For the first time, this study developed a novel model, named GeoMicro3D, to simulate the reaction process and microstructure formation of alkali-activated slag. The GeoMicro3D model consists of four modules that are designed to simulate, respectively: (i) the initial spatial distribution of real-shape slag particles in alkaline activator, (ii) the dissolution of slag and diffusion of ions via the transition state theory and lattice Boltzmann method, respectively, (iii) the spatial distribution of reaction products using a nucleation probability theory, and (iv) the chemical reactions with thermodynamic modelling. Afterwards the GeoMicro3D model was implemented and verified. The simulation results were discussed and compared with the relevant experimental data and thermodynamic calculation results using GEMS. A good agreement was found in the comparisons, showing the strong simulation capability of GeoMicro3D.

36 MATERIALS SCIENCE↗
DOE OSTI2021

New insights into the role of fly ash in mitigating alkali-silica reaction (ASR) in concrete

Alkali-silica reaction (ASR) mitigation mechanisms of fly ash in concrete are still being debated and remain an interesting research topic. This study provides new insights into the role of aluminum oxide (Al{sub 2}O{sub 3}) in fly ash particles on ASR mitigation. A comprehensive test program was conducted and included expansion measurements, dissolution model experiments of exposed and embedded borosilicate glass elements, analyses of pore and immersion solutions, quantification of Ca(OH){sub 2} content, and microstructural analyses. It was found that in addition to the traditionally accepted mitigation mechanisms such as alkali binding, diffusion control and reduction in available Ca(OH){sub 2}, dissolution control of reactive aggregates by aluminum discharged from fly ash particles also contributed to the ASR mitigation. Re-introducing alkalis to fly ash-incorporated concrete prisms which exhibited undeleterious expansion under a long-term ASR exposure triggered and significantly increased the subsequent expansion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The effects of calcium hydroxide and activator chemistry on alkali-activated metakaolin pastes

The impact of calcium hydroxide as an additive in sodium hydroxide- and silicate-activated metakaolin pastes is presented with a primary aim to ascertain the specific effects of calcium on the reaction kinetics and phase formation. FTIR and XRD are employed to understand the interaction of calcium hydroxide (10 wt% replacement of metakaolin) in 1, 5 and 10 M NaOH-activated pastes (and equivalent molarity Na{sub 2}SiO{sub 3}-activated pastes), with a focus on its impact on the nanoscale properties of the sodium-alumino-silicate-hydrate (N-A-S-(H)) gel. In situ FTIR and ICC are used to assess the impact of calcium hydroxide on the reaction kinetics, including the rate of metakaolin dissolution and associated rate of N-A-S-(H) gel growth. It is found that calcium hydroxide is effective at accelerating the reaction kinetics of 5 M Na{sub 2}SiO{sub 3}-activated metakaolin due to the formation of an initial calcium-rich gel that promotes additional metakaolin dissolution and enhances N-A-S-(H) gel formation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of seawater as mixing water on the hydration behaviour of tricalcium aluminate

This study explored the mechanism of the effect of seawater on tricalcium aluminate (C{sub 3}A) hydration. The results showed that seawater retarded C{sub 3}A hydration and reduced the reaction degree of C{sub 3}A. The co-existence or ion pairing of Ca{sup 2+} and SO{sub 4}{sup 2−} onto the surface of C{sub 3}A poisoning the reactive sites is the main reason for this retardation. Besides, the precipitation of Mg(OH){sub 2} on the surface of C{sub 3}A would prolong the induction period for another 30 min and then consequently decrease the dissolution rate of C{sub 3}A hydration. Trace amounts of MgSO{sub 4}{sup 0} and Mg{sup 2+} present in the alkaline solution had little retardation effect. It was also found that Cl{sup −} would preferentially react with C{sub 3}A to form Friedel's salt, rather than forming hydroxy-AFm as that in the C{sub 3}A-deionized water paste. The direct formation of Friedel's salt resulted in an accumulation of Al{sup 3+} in solution, which would also hinder the subsequent dissolution of C{sub 3}A.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Initial hydration process of calcium silicates in Portland cement: A comprehensive comparison from molecular dynamics simulations

As the main components of Portland cement, calcium silicates show substantial differences in their hydration reactivity which have not been fully explained. A comprehensive comparison of the initial hydration process of calcium silicates, namely dicalcium silicate (C{sub 2}S) and tricalcium silicate (C{sub 3}S), was conducted using molecular dynamics simulations. The initial hydration process was divided into three stages using cut-off times of 0.001 ns and 3 ns. The hydration of M{sub 3}-C{sub 3}S (010) was more evident than that of β-C{sub 2}S (100), supported by the hydroxylation degree, radial distribution function, atomic density profile, etc. The coordination number of the surface Ca atoms might be the underlying reason for such a difference. Interactions between cement surfaces and water molecules were mainly characterised by solid OH bonding and Ca-water O bonding. Dissolution of Ca atoms was observed, although quite scarce, while no dissolution of Si atoms was observed.

36 MATERIALS SCIENCE↗