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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effect of supplementary cementitious materials on carbonation of cement pastes

Supplementary cementitious materials (SCM) are increasingly used in concrete for economical and environmental reasons. However, the durability of reinforced concretes against, for example, corrosion induced by carbonation varies. Here, the phase assemblage of various cement pastes with/without SCM (slag, fly ash and metakaolin), carbonated in accelerated conditions (1.5% CO{sub 2} and 65% RH) or not, has been investigated by various technics (XRD, TGA/DTA and {sup 29}Si as well as {sup 27}Al nuclear magnetic resonance spectroscopy) and compared. Results show that, after carbonation, anhydrous phases are less decalcified than hydrated phases. In cement pastes with slag, most of the calcium remains in the non-hydrated part of the slag. In contrast, the C-A,S-H phase is deeply modified and results show a coupling between C-A,S-H and hydrated aluminate phases during carbonation. In all carbonated materials, these phases tend to become an aluminosilicate gel, a very amorphous/disordered phase, containing less water than the original hydrates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Capillary flow in UHPFRC with synthetic fibers, under high tensile stresses

A novel Ultra High-Performance Fiber Reinforced Concrete (UHPFRC) mix with synthetic fibers and a low clinker matrix, henceforth referred to as PE-UHPFRC, has been developed for structural applications. It exhibits a high tensile elastic limit above 7 MPa, a tensile strength of more than 10 MPa, and a very high tensile hardening domain of above 3.5%. In order to effectively use this material, its protective properties have been investigated on the basis of the effect of tensile deformation and subsequent cracking on water transport properties, for a wide range of tensile strain. A special setup was developed to measure the capillary absorption of liquids while the specimen is under tension. The results show a considerable reduction in capillary absorption in case of PE-UHPFRC compared with Strain Hardening Cement-based Composites (SHCC). Moreover, the results highlight the considerable effect of the onset of cracking on capillary absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparison of liquid absorption-release of superabsorbent polymers in alkali-activated slag and Portland cement systems: An NMR study combined with additional methods

In this study, {sup 1}H low-field NMR was used to compare the liquid absorption-release behaviour of superabsorbent polymers (SAPs) in Portland cement (PC) paste, NaOH-activated slag (SH-AAS) paste, and water glass-activated slag (WG-AAS) paste. The liquid absorption of SAPs in the PC paste was lower than that in the SH-AAS paste and the WG-AAS paste. The liquid release was also faster, which was mainly due to the higher Ca{sup 2+} concentration in the pore fluid of the PC system. In the AAS system, although the Ca{sup 2+} concentration in the pore fluid was low, the Na{sup +} concentration was much higher than that in the PC system due to the activator. The Ca{sup 2+} in the PC system is an important factor affecting the swelling of SAPs, while in the AAS system, the swelling limitation of SAPs is the result of the combined effects of Ca{sup 2+} and Na{sup +}, with Na{sup +} being dominant.

36 MATERIALS SCIENCE↗
DOE OSTI2021

From casting to 3D printing geopolymers: A proof of concept

The objective of this paper is to define a mix design strategy allowing the implementation of geopolymer in powder bed 3D printing. In a selective binder approach, an aluminosilicate powder bed is activated through the deposit of an alkaline silicate solution. We first show that, in comparison to casting, this technology requires mastering the spreading of the liquid into the powder bed to ensure that the reaction takes place where it is needed. A series of experiments at the drop level, mimicking the 3D printing process, were performed to determine the printing solution composition for a given powder bed packing. We then highlight the relationship between the compressive strength of the printed geopolymer and the powder bed saturation, controlled by the printing parameters. Finally, SEM/EDX analysis confirm the formation of geopolymer with desired Si/Al and Na/Al ratios in the resulting printed material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Early age hydration and application of blended magnesium potassium phosphate cements for reduced corrosion of reactive metals

Highlights: • Magnesium potassium phosphate cements were studied for nuclear waste encapsulation. • The optimised formulation in this study was determined to be 0.24 w/s ratio. • Different reaction kinetics were discovered for the FA/MKPC and BFS/MKPC binders. • Struvite-K was the only crystalline reaction product observed via in-situ SXPD. • Uranium trials revealed MKPC corrosion was reduced compared to a UK nuclear grout. Magnesium potassium phosphate cements (MKPC) were investigated to determine their efficacy towards retardation of reactive uranium metal corrosion. Optimised low-water content, fly ash (FA) and blast furnace slag (BFS) blended MKPC formulations were developed and their fluidity, hydration behaviour, strength and phase assemblage investigated. In-situ time resolved synchrotron powder X-ray diffraction was used to detail the early age (~60 h) phase assemblage development and hydration kinetics, where the inclusion of BFS was observed to delay the formation of struvite-K by ~14 h compared to FA addition (~2 h). All samples set within this period, suggesting the possible formation of a poorly crystalline binding phase prior to struvite-K crystallisation. Long-term corrosion trials using metallic uranium indicated that MKPC systems are capable of limiting uranium corrosion rates (reduced by half), when compared to a UK nuclear industry grout, which highlights their potential application radioactive waste immobilisation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

NOx sequestration by calcium aluminate cementitious materials

This study quantifies NO{sub x} uptake efficiency and explores NO{sub x} binding mechanisms in calcium aluminate cementitious (CAC) materials. Comparison between unmodified and TiO{sub 2}-modified CAC separates intrinsic NO{sub x} binding mechanisms from those related to photocatalysis. Attributed to surface-related heterogeneous reactions, the NO{sub x} binding occurs in unmodified CAC at nitrite-to-nitrate ratio of 1: 1.3 and can be increased with surface area. The photocatalytic reactions in TiO{sub 2}-modified CAC increase NO{sub x} uptake, and ~50% of converted NO{sub x} resists releasing back into the environment via dissolution. Compared to previously studied ordinary portland cement (OPC) materials, CAC increases NO{sub x} uptake capacity and demonstrates a more permanent NO{sub x} binding, potentially mitigating concerns related to the release of previously bound N-species in OPC. Examination of the interaction between NO{sub x} and a synthetic pure aluminum-bearing phase shows that the permanent NO{sub x} uptake in CAC could be largely attributed to the chemical binding of converted NO{sub x} within aluminum-bearing phases.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparison on the properties of ITZs in fly ash-based geopolymer and Portland cement concretes with equivalent flowability

Highlights: • Modelled ITZs can effectively avoid the effects caused by different factors and test locations of ITZ. • ITZ properties of PC and geopolymer concretes are compared based on equivalent flowability of binders. • Geopolymer ITZ exhibits stronger bonding than that of PC, and higher mechanical properties than geopolymer paste. • Strong ITZs in geopolymer concrete are attributed to the layer of gel-rich paste with dense microstructures. • Elastic modulus and hardness properties of ITZs in PC concrete are increased due to the CH crystals. This paper aims to compare the properties of interfacial transition zones (ITZs) in Portland cement (PC) concrete and geopolymer concrete. Portland cement and geopolymer pastes were designed with the equivalent flowability to provide similar mix and casting condition of ITZs. Two types of modelled ITZs were prepared to facilitate the nanoindentations across ITZs, microstructural characterization, and comparison on the properties of ITZs with less influential factors. The results showed that the interfacial bonding of ITZs between geopolymer matrix and aggregate is relatively stronger than the counterpart in the PC concrete. There is a high amount of crystalline hydration products in the ITZs of PC concrete, but a layer gel-rich paste with denser microstructures in the ITZs of geopolymer concrete. Additionally, the interface morphology and nanoindentation analysis indicate that the property of ITZs in the modelled geopolymer concrete is not poorer than that of the corresponding geopolymer paste.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Curing process and pore structure of metakaolin-based geopolymers: Liquid-state 1H NMR investigation

Geopolymers are emerging construction materials with lower carbon dioxide emissions compared to the conventional cementitious materials. The knowledge of the curing process and the related pore structures are important for optimizing the properties of these materials for different applications. The curing process and final pore structure are sensitive to the amount of used water, however the specifics are unclear. The curing process and pore structures of metakaolin-based geopolymers with a narrow water-to-solid (w/s) ratio (0.59–0.66) were monitored by nuclear magnetic resonance (NMR) relaxometry and cryoporometry. The 14-day curing process was investigated by monitoring the change of T{sub 2} and T{sub 1} relaxation times and water signal intensity. After the curing, the pore structures were characterized by 2D T{sub 1}-T{sub 2} correlation and T{sub 2}-T{sub 2} exchange measurements of absorbed water. The pore size distributions (PSDs) were measured with NMR cryoporometry and compared to nitrogen physisorption and mercury intrusion porosimetry (MIP) results. We found that the relaxation times decreased as the pore structure of the geopolymers matured during the curing while the dissolution and the condensation periods of the curing were distinguished by the changes in signal amplitude reflecting the proton density. After the curing, three distinct pore sizes and connectivity between pores were identified from T{sub 1}-T{sub 2} and T{sub 2}-T{sub 2} spectra. Their PSDs were measured, and they were found to correspond to two different pore sizes originating from the arrangement of clusters and defective pores. In the narrow w/s ratio (0.59–0.66), the curing times were the same for all samples when cured at 24 °C while the pore sizes were observed to increase as a function of the w/s ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hydro-chemo-mechanical phase field formulation for corrosion induced cracking in reinforced concrete

Steel corrosion induced cracking in reinforced concrete structures is often caused by volumetric straining at the steel-concrete interface. This volumetric strain is mainly controlled by the rate of generation of corrosion product, which depends on the diffusion of Cl{sup −} and dissolved O{sub 2} as well as the chemical reaction at the steel-concrete interface. While many numerical modeling techniques have been proposed to tackle this complex phenomenon, most have been limited to using staggered solution schemes, where the diffusion, chemical reaction, mechanical strain, and crack fields are solved for separately. Unfortunately, such approaches introduce numerical errors that can lead to unrealistic predictions. Therefore, a coupled solution, is needed to remove the formulation induced errors and understand this complex phenomenon. To provide a unifying solution framework for corrosion induced cracking in reinforced concrete, a phase field formulation is presented and implemented with FEM algorithms. The governing equations are derived from the system's free energy and Fick's law of diffusion. The proposed formulation was first validated in 1D by comparing the modeling results with the semi-analytical solution approximated via Laurent series to avoid singularities in the complex domain. 2D plane strain solutions to the embedded rebar undergoing corrosion induced cracking with pre-cracks are also presented and compared with the approximated solutions from linear elastic fracture mechanics theory (LEFM). The modeling of crack propagation enabled by the proposed formulation is also presented along with parametric studies to reveal the roles of the fracture toughness and permeability of the concrete on the corrosion induced cracking. A case study was also conducted on H-pile steel with concrete jackets to demonstrate the feasibility of modeling corrosion induced fracture in reinforced concrete structures with complex steel-concrete interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of autogenous shrinkage-induced microcracks in concrete from 3D images

A new image analysis procedure for quantifying microcracks from three-dimensional (3D) X-ray microCT images of concrete is presented. The method separates microcracks from air voids and aggregates by combining filtering and morphological operations. It was applied to study the effects of supplementary cementitious materials (SCMs) and curing age on autogenous shrinkage-induced microcracks in low w/b ratio concretes, and to determine the representative elementary volume (REV) for various properties of microcracks and air voids. Results showed that slag and silica fume significantly increased autogenous shrinkage and related microcracking. These SCMs increased volume fraction, width, length, dendritic density, anisotropy, and connectivity of microcracks, but decreased specific surface and tortuosity. Similar trends were observed with age. Comparison between 3D and 2D measurements was made. REV analysis showed that a sampling volume of ~20 × 20 × 25 mm{sup 3} is sufficient for characterising most parameters of autogenous shrinkage microcracks and air voids in concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Use of kaolinite clays in development of a low carbon MgO-clay binder system

Magnesium oxide based cements may provide a promising alternative to the conventional Portland cement in many applications. This study investigates the feasibility of using calcined kaolinitic clay to produce an MgO binder. The MgO-based binder were prepared using a low kaolinite content clay and metakaolin and were compared with a silica fume system. Implications of the addition of magnesium carbonate in the binder were also investigated. Isothermal calorimetry, X-ray diffraction (XRD), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FTIR) were used to study the hydration characteristics of the binder system whereas compressive strength and porosity were measured to determine mechanical and durability attributes. The economic and environmental aspects of the binder system is also discussed. Hydrotalcite like phases were clearly produced on hydration in the clay mixes containing carbonate additions. The compressive strength of clay mixes was at par or better compared to systems containing silica fume, and the clay systems had significantly lower porosity levels. The presence of magnesium carbonate further enhanced the physical properties of the clay mixes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Combined effect of NaAlO2 and NaOH on the early age hydration of Portland cement with a high concentration of borate solution

The early age hydration of ordinary Portland cement in 5 M borate solution, with or without the addition of NaAlO{sub 2} and/or NaOH, was investigated. Hydration was measured using calorimetry, X-ray diffraction, thermogravimetric analysis, {sup 11}B and {sup 27}Al magic angle spinning NMR analysis, and scanning transmission electron microscopy. The purpose of this study was to reveal the mechanisms behind the retardation caused by a high concentration borate solution and the restoration of hydration through the combined addition of NaOH and NaAlO{sub 2}. Amorphous ulexite, which formed on the surface of the cement particles and prevented the further dissolution of anhydrous phases, was identified as the retardation product. The mechanism of the combined addition of NaAlO{sub 2} and NaOH in overcoming retardation was to transform amorphous ulexite into B-AFt and gowerite (CaB{sub 6}O{sub 10}·5H{sub 2}O). Formation of gowerite is favorable because of the much higher boron immobilization capacity in weight percentage, comparing to usual boron-containing phases reported previously.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Distinctive rheological and temporal viscoelastic behaviour of alkali-activated fly ash/slag pastes: A comparative study with cement paste

This paper presents the results of the investigation on the fundamental differences in the viscoelasticity between alkali-activated fly ash/slag materials (AAMs) and cement pastes. The effects of the precursor and the activator on the rheological behaviour of AAM pastes were studied. Given the specific precursor, the activator viscosity significantly affected the AAM paste viscosity. The high viscous activator increased the plastic viscosity of AAM pastes by 4–8 times higher than that of cement paste and drastically decreased the yield stress due to viscous effects and weak colloidal interactions. Temporal changes in viscoelasticity showed that the negligible colloidal interactions between particles in AAM paste made the system non-percolated until the initial setting. This resulted in very different viscoelastic behaviour compared to the one from the well-percolated network in cement paste. Considering all results obtained in this study, the paper describes the short-term evolution of the AAM paste from the fresh condition to the initial setting.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting concrete compressive strength using hybrid ensembling of surrogate machine learning models

This study aims to implement a hybrid ensemble surrogate machine learning technique in predicting the compressive strength (CS) of concrete, an important parameter used for durability design and service life prediction of concrete structures in civil engineering projects. For this purpose, an experimental database consisting of 1030 records has been compiled from the machine learning repository of the University of California, Irvine. The database was used to train and validate four conventional machine learning (CML) models, namely Artificial Neural Network (ANN), Linear and Non-Linear Multivariate Adaptive Regression Splines (MARS-L and MARS-C), Gaussian Process Regression (GPR), and Minimax Probability Machine Regression (MPMR). Subsequently, the predicted outputs of CML models were combined and trained using ANN to construct the Hybrid Ensemble Model (HENSM). It is observed that the proposed HENSM produces higher predictive accuracy compared to the CML models used in the present study. The predictive performance of all models for CS prediction was compared using the testing dataset and it is found that the HENSM model attained the highest predictive accuracy in both phases. Based on the experimental results, the newly constructed HENSM model is very potential to be a new alternative in handling the overfitting issues of CML models and hence, can be used to predict the concrete CS, including the design of less polluting and more sustainable concrete constructions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reactions of self-healing agents and the chemical binding of aggressive ions in sea water: Thermodynamics and kinetics

New self-healing agents that can chemically bind seawater ions invading cracked cementitious materials were proposed. The potential of self-healing and binding of seawater ions were investigated by thermodynamic modeling. It was found that CaO-NaAlO{sub 2} and CaO-metakaolin agents can have Cl{sup −}, SO{sub 4}{sup 2−} and Mg{sup 2+} chemically bound by reacting with sea water to form Friedel's salt, Kuzel's salt, ettringite and hydrotalcite. The removal of Cl{sup −} from seawater firstly increased and then decreased with the increase of Ca/Al molar ratio in both agents, while the removal of Mg{sup 2+} and SO{sub 4}{sup 2−} were hardly influenced and approximated 100%. Because NaAlO{sub 2} dissolves and releases Al(OH){sub 4}{sup −} rapidly, precipitates binding Cl{sup −}, SO{sub 4}{sup 2−} and Mg{sup 2+} were formed fast. In comparison, the reaction of metakaolin binding aggressive ions occurred after 3 days. Because of the faster reaction and the capacity to make [Cl{sup −}]/[OH{sup −}] lower in the solution, CaO-NaAlO{sub 2} would be more efficient for self-healing and mitigating reinforcement corrossion than CaO-metakaolin.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molecular level study of uni/multi-axial deformation response of tobermorite 11 Å: A force field comparison study

Molecular deformation response of tobermorite 11 Å (a mineral analogue to C-S-H, the primary constituent of hydrated cement paste) under uni/tri-axial loading (both tension and compression) has been investigated in this manuscript using empirical and reactive force fields. A comparison has been chalked out amongst the responses using different force fields. Evolution of atomic environment during the deformation have studied using reactive force field. This study demonstrate the key observations on the application of different force fields to study the large deformation behaviour of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modelling the development of capillary pressure in freshly 3D-printed concrete elements

3D concrete printing is a promising technology recently developed to automate construction. Since no formwork is used in this technology to support and protect fresh concrete, there are two aspects which considerably accelerate the development of capillary pressure in 3D-printed concrete in comparison to conventionally placed concrete: i) high stiffness of 3D-printed needed to provide sufficient buildability, and ii) very early and fast evaporation of pore water. Accelerated development of capillary pressure may lead to severe plastic shrinkage cracking in 3D-printed elements and, hence, need to be mitigated. This investigation aims at providing a poromechanical model for capillary pressure development in 3D-printed elements. To simulate the development of capillary pressure and plastic shrinkage, environmental factors, material properties, and element geometry need to be considered as a whole. The model inputs – coefficient of permeability, static bulk modulus, air entry pressure and chemical shrinkage rate – were determined experimentally. The model was validated for two fine-grained concretes. Both 3D-printed materials yielded faster capillary pressure increase in comparison to cast concrete, while partial substitution of cement with silica fume further accelerated the capillary pressure development. Furthermore, due to the lower permeability of the mixture containing silica fume, the gradient of capillary pressure between 3D-printed layers increased, as did the gradient of plastic shrinkage.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physical and chemical effects of isopropanol exchange in cement-based materials

Drying cement-based materials is a necessary step to characterize the microstructure by microscopy, adsorption, or mercury intrusion. The isopropanol (IPA) exchange method is commonly used to replace the pore solution prior to drying, as it reduces the capillary pressure and thereby helps to preserve the microstructure of the hydrated cementitious materials. However, some physical and chemical effects of IPA on hydration products have been reported. These effects cannot be completely avoided, but can be reduced by shortening the exchange duration, in particular for effects on ettringite. This study carried out experiments with different exchange durations and IPA removal techniques to address research gaps in the literature. For 1-mm cubes of cement paste with IPA diffusion coefficient of 1 × 10{sup −11} m{sup 2}/s, the compared exchange durations are 5 min, 15 min (value from the literature), 40 min (when the mixture at the sample center achieves 95% of the drop in surface tension from water to IPA), 80 min (when the IPA/water mixture at the sample center reaches an azeotrope), 5 h (when over 99% IPA is replaced at the sample center), and 24 h (prolonged exchange). After IPA exchange, samples were either directly dried at 40 °C with flushing N{sub 2} or washed by diethyl ether prior to N{sub 2} drying. Even though the exchange duration of 40 and 80 min, in theory, can reduce the damage from capillary pressure, the nitrogen adsorption results do not show any advantage in preventing microstructural alteration. The 5-h exchange provided results similar to the 24-h exchange, but the latter induced slightly more serious chemical effects resulting from the longer contact of IPA with hydration products. In addition, the compared IPA removal techniques do not show significant differences. Therefore, this study suggests using small samples (~1 mm) for microstructural studies following IPA exchange for a period corresponding to the time when 99% of the water (mole fraction) at the sample center is replaced.

36 MATERIALS SCIENCE↗