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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Effect of Impact and Penetration on Microstructural Evolution of High-performance Concretes

Due to the increased concern of public safety in recent years, blast resistance of infrastructures has become an emerging research focus in the cement and concrete industry. Ultra High Performance Concrete (UHPC) with fiber reinforcement usually possesses compressive strengths greater than 200 MPa, which makes them promising candidates for blast-resistant building materials. In the current project, two UHPC materials, Ductal and ERDC-M, were subject to projectile penetration testing. The microstructural evolution due to projectile impact was examined via scanning electron microscopy and X-ray diffraction. Possible phase changes were observed in the impact volume, which was likely a result of the high temperature and high pressure induced by the impact.

Ren, Fei↗
DOE OSTI2021

Mechanical Characterization of Low Modulus Polymer-Modified Calcium-Silicate-Hydrate (C-S-H) Binder

Calcium-silicate-hydrate (C-S-H) represents a key microstructural phase that governs the mechanical properties of concrete at a large scale. Defects in the C-S-H phase are also responsible for the poor ductility and low tensile strength of concrete. Manipulating the microstructure of C-S-H can lead to new cementitious materials with improved structural performance. This paper presents an experimental investigation aiming to characterize a new synthetic polymer-modified synthetic calcium-silicate-hydrate (C-S-H)/styrene-butadiene rubber (SBR) binder. The new C-S-H/SBR binder is produced by calcining calcium carbonate and mixing this with fumed silica (SiO 2 ), deionized water and SBR. Mechanical, physical, chemical and microstructural characterization was conducted to measure the properties of new hardened C-S-H binder. Results from the experimental investigation demonstrate the ability to engineer a new C-S-H binder with low elastic modulus and improved toughness and bond strength by controlling the SBR content and method of C-S-H synthesis. The new binder suggests the possible development of a new family of low-modulus silica-polymer binders that might fit many engineering applications such as cementing oil and gas wells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Mechanical behavior of carbonated MgO-based Engineered Cementitious Composite (ECC) after high temperatures exposure

Carbonated MgO-based Engineered Cementitious Composite (ECC) has ultrahigh tensile ductility and tight crack width control behavior. However, the expectation of improved fire-resistant has not been confirmed. This study explored the alterations to mechanical and microstructure characteristics of this material after exposure to temperatures up to 500 °C. Material mass loss, compressive strength, tensile strength, strain capacity, and matrix fracture toughness were measured. Scanning electron microscopy, mercury intrusion porosimetry, thermogravimetric analysis, and X-ray diffraction were used to probe the degradation of the cement matrix and fibers. The effect of elevated temperature on carbonated MgO-based ECC was further assessed via examination of the micromechanical behavior of the fiber-matrix. The objective of this research was to assess the performance of carbonated MgO-based ECC exposed to fire hazards. The tensile ductility of carbonated MgO-based ECC was found to be enhanced when exposed to ~100 °C as compared with those at room temperature ~20 °C. Further increase in exposure temperature, however, posed a negative impact on the composite compressive strength, ultimate tensile strength, and ability to control crack width. Here the results provide a useful database for further investigations into carbonated MgO-based ECC for fire safety enhancement.

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 OSTI2014

Ion-specific effects influencing the dissolution of tricalcium silicate

It has been recently demonstrated that the dissolution kinetics of tricalcium silicate (C{sub 3}S) is driven by the deviation from its solubility equilibrium. In this article, special attention is paid to ions relevant in cement chemistry likely to interact with C{sub 3}S. In order to determine whether specific effects occur at the interface C{sub 3}S–water, particular efforts have been made to model ion activities using Pitzer's model. It has been found that monovalent cations and monovalent anions interact very little with the surface of C{sub 3}S. On the other side, divalent anions like sulfate slow down the dissolution more strongly by modifying the surface charging of C{sub 3}S. Third, aluminate ions covalently bind to surface silicate monomers and inhibit the dissolution in mildly alkaline conditions. The formation and the breaking of these bonds depend on pH and on [Ca{sup 2+}]. Thermodynamic calculations performed using DFT combined with the COSMO-RS solvation method support the experimental findings.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Pozzolanic reactivity of a calcined interstratified illite/smectite (70/30) clay

Calcined clays can be potential supplementary cementitious materials if effects of heat-treatment on their structure and reactivity are understood. This work reports structural characterization of an interstratified illite/smectite clay, including a quartz impurity, upon heating using {sup 27}Al and {sup 29}Si MAS NMR spectroscopy and ICP-OES analysis. During dehydroxylation (600–900 °C) the Q{sup 3}-type SiO{sub 4} sites become disordered and octahedral AlO{sub 6} sites transform into tetrahedral sites, resulting in an amorphous material with substantial pozzolanic properties, as demonstrated by reactivity tests and hydration studies of a Portland cement–calcined clay blend. At higher temperatures (above 950 °C), inert Q{sup 4}-type phases crystallize which radically reduce the reactivity. At optimum calcination temperature (900 °C), the amorphous material contains highly dissolvable elemental species as seen from complementary ICP-OES analysis. The quartz impurity exhibits a unique variation in {sup 29}Si spin–lattice relaxation times upon heat-treatment which is ascribed to changes in the concentration of impurity ions in quartz.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Atomistic simulation of the adsorption of calcium and hydroxyl ions onto portlandite surfaces — towards crystal growth mechanisms

Portlandite is an important constituent of cementitious materials. Consequently the growth of portlandite is of great interest to fully understand the hydration of cement, a process still posing many scientific challenges. In this paper the growth of portlandite in aqueous systems is studied by simulating the adsorption of Ca{sup 2+} and OH{sup −} at different portlandite surfaces. For the simulation an adapted version of the Freeman (Freeman et al., 2007) in combination with the TIP4P/2005 (Abascal and Vega, 2005) force field was used for both molecular dynamics, conventional and well-tempered metadynamics calculations. Depending on the structure of the portlandite–water interface, different adsorption sites were observed. Based on these we were able to propose an atomistic mechanism of portlandite growth in different crystallographic directions. The proposed mechanism indicates that different species control the growth in different directions, consistent with experimental observations reported in literature (Arnold, 2004).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Assessment of early age properties of cementitious system through isopropanol–water replacement in the mixing water

In this study, a new method to assess early properties of cementitious materials by water-solvent replacement is investigated. Isopropanol was used to replace a part of mixing water of binder paste, limiting the maximum degree of hydration it can achieve. Results of four independent methods (calorimetry, thermo-gravimetric analysis, back-scattered electron imaging and mechanical strength) confirmed that the hydration reactions of the cement have been effectively delayed and suppressed due to the presence of isopropanol. A set of curves is obtained to identify the appropriate combination of i) the extent of water–isopropanol replacement and ii) time for achieving the targeted degree of hydration. This allows assessing material properties at low and/or desired degree of hydration with less time limitation during sample manipulation, achieving a better preserved and homogeneous microstructure. It has however to be noted that this method has limits with respect to direct moisture-transport related studies.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Autogenous healing of sea-water exposed mortar: Quantification through a simple and rapid permeability test

Concrete has an autogenous ability to heal cracks potentially contributing to its functional water tightness and durability. Here, we quantify the crack-healing capacity of sea-water submerged mortar specimens through a simple and rapid permeability test. Defined crack width geometries were created in blast furnace slag cement specimens allowing healed specimens to be quantified against unhealed specimens. Specimens with 0.2 mm wide cracks were not permeable after 28 days submersion. Specimens with 0.4 mm cracks had decreases in permeability of 66% after 28 days submersion, and 50–53% after 56 days submersion. Precipitation of aragonite and brucite in the cracks was the main cause of crack healing. Healing potential was dependent on the initial crack width, thermodynamic considerations and the amount of ions available in the crack. To our knowledge, this is the first study to quantify the functional autogenous healing capacity of cracked sea-water exposed cementitious specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Leaching behaviour of low Ca:Si ratio CaO–SiO{sub 2}–H{sub 2}O systems

A dynamic leaching study of the dissolution of low calcium to silicon ratio (C/S) calcium–silicate–hydrate (C–S–H) systems with initial C/S ranging from 0.2 to 0.6 has been undertaken. Dissolution was studied in demineralised water at 25 °C to a degree of leaching of 2.5 m{sup 3} kg{sup −1}. These C–S–H gels show remarkably similar behaviour during early leaching stages, giving an equilibrated pH of ~ 9.9 and a solution phase C/S of ~ 0.29. Over longer times, C–S–H gels with C/S > 0.29 evolve, on leaching, towards a congruent dissolution point with a solid C/S close to 0.84 (consistent with tobermorite) and pH ~ 10.8. C–S–H gels with C/S < 0.29 become increasingly silica-rich on leaching but maintain an alkaline pH > 9.5 down to at least C/S = 0.07 (the lowest ratio reached). For C/S < 0.7, chemical modelling and X-ray diffraction data support an explanation of the incongruent dissolution behaviour of the low C/S C–S–H gels based on the congruent dissolution of distinct amorphous silica and tobermorite-like C–S–H phases. Above C/S of 0.7, the dissolution data are well described by an ideal solid solution model for the C–S–H phases. These results are of relevance to the consideration of the disposal of silica-rich vitrified intermediate-level radioactive wastes in cement-based concepts for geological disposal, where maintenance of alkaline pH values forms a key component of the chemical barrier to radionuclide migration. The implications are that the long-term pH buffering capacity provided by cementitious backfill materials would not be significantly affected by interactions with silica-rich wasteforms, which may lower the net C/S ratio of C–S–H phases, due to the natural tendency of these systems to restore congruent dissolution at pH 10.8.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The mechanism of limited inhibition by fly ash on expansion due to alkali–silica reaction at the pessimum proportion

The inhibitory role of fly ash (FA) on alkali–silica reaction (ASR) expansion is drastically reduced at the pessimum proportion relative to its role at full proportion. The main contribution of FA to inhibiting ASR expansion is to reduce the alkalinity of the pore solution and it is dependent on the thermodynamic equilibrium between the pore solution and the calcium-silicate-hydrate (C-S-H) gel. C-S-H gel with low Ca/Si ratio can bind a large amount of alkalis. However, when the concentration is higher than the threshold concentration for reaction, C-S-H gel plays a role in buffering the alkali concentration in the pore solution by supplying alkali. Thus, the inhibitory role of FA on ASR expansion decreases at the pessimum proportion because the aggregate can react with alkali even at low alkali concentrations. Therefore, replacing cement with a larger amount of fly ash is essential to reaching the threshold for reaction.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Concrete alteration due to 55 years of exposure to river water: Chemical and mineralogical characterisation

This article presents a study on concrete alteration mechanisms due to 55 years of exposure to river water. Many hydro power structures in cold regions suffer from concrete deterioration at the waterline. Progressive disintegration of the concrete surface leads to exposure of the coarse aggregate and eventually the reinforcing steel. Concrete cylinders drilled out at four vertically different locations on the upstream face of a concrete dam were analysed by electron microprobe analysis, X-ray diffraction, thermogravimetry and scanning electron microscopy. Long-term exposure to the river water, which is regarded as soft water, has led to chemical and mineralogical zonation of the cement paste. Up to five zones with different chemical and mineralogical composition, parallel to the upstream face, were observed in the outermost 8–9 mm of the concrete. Decalcification, precipitation of secondary ettringite and the formation of a magnesium-rich silica gel constitute the major changes that define the zones.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The influence of substrate moisture preparation on bond strength of concrete overlays and the microstructure of the OTZ

The influence of substrate moisture preparation on the direct shear bond strength of composite substrate-overlay specimens was evaluated. The substrate surface was exposed to four different moisture conditions prior to overlay application. A quantitative analysis of backscattered electron images of the microstructure of the overlay transition zone was carried out to quantify its properties along the interface and help analyse the results of the shear bond testing. The results show that pre-wetting the substrate surface prior to application of the overlay provides no added benefit towards increasing the bond strength and may in some cases reduce bond strength significantly. The microstructural investigations confirmed that pre-saturated substrates increase the w/c ratio and the porosity in the overlay transition zone (OTZ), which was found to have a thickness of about 100 μm. The OTZ in overlays cast on dry substrate surfaces had lower porosity and an increased amount of anhydrous cement.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A molecular dynamics investigation of hydrostatic compression characteristics of mineral Jennite

This paper focuses on the study of mechanical behavior and deformation of mineral Jennite, under isothermal hydrostatic compression using Molecular Dynamics (MD) modeling. Atomistic structure of mineral Jennite is considered as a choice for representing calcium silicate hydrate (C-S-H), a key constituent in hydrated cement paste. The present work focuses and presents a molecular dynamics simulation approach to ascertain hydrostatic compression characteristics of mineral Jennite. The pressure–specific volume, and specific internal energy–specific volume relationships under isothermal hydrostatic compression conditions were determined. For the pressures ranging from 0.0001 GPa to 5 GPa, computational modeling results indicated that a linear relationship may be sufficient when describing the pressure–specific volume relationship. The results obtained in this study compared well with experimental and theoretical results recently published by other researchers. Additionally, a quadratic function was found to be appropriate to describe the specific energy–specific volume relationship, for the same pressure range used for studying the pressure–specific volume relationship. The pressure–specific volume, and specific internal energy-specific volume relationships reported in this paper are useful for further estimation of pressure–specific volume constitutive Hugoniot of the nanoscale mineral Jennite. Additionally, MD approach discussed and presented in this paper can be applied to understand hydrostatic compression behavior and deformation characteristics of other atomistic structures representing C-S-H. Further, the computational material modeling approach discussed in this paper provides an alternative methodology that can aid in the understanding of the deformation mechanisms and developing constitutive relationships from atomistic structures of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Selenite and selenate uptaken in ettringite: Immobilization mechanisms, coordination chemistry, and insights from structure

Although ettringite is a crucial material in terms of Se immobilization, the immobilization mechanisms, atomic configuration, and intercolumn structure of Se sorbed in ettringite are unclear. The immobilization mechanism of Se oxoanions was evaluated through structural insight into ettringite. It is contrasting between SeO{sub 3}{sup 2−} and SeO{sub 4}{sup 2−} in chemical property of the solid residues after immobilization. The oxoanion exchange with structural SO{sub 4}{sup 2−} is the main mechanism for immobilization of SeO{sub 4}{sup 2−}. In contrast, SeO{sub 3}{sup 2−} is easily immobilized to form inner-sphere complexes in ettringite. In addition, it is necessary to reveal the SeO{sub 3}{sup 2−} complexation sites for understanding the mechanisms in immobilization of SeO{sub 3}{sup 2−}. Based on the characterization results with the bond valence theory, the location sites of sorbed SeO{sub 3}{sup 2−} in ettringite structure were proposed. The results obtained in this work are relevant to the understanding of Se and its isotopes immobilized in cement or alkaline environments, especially for nuclear waste management. - Highlights: • The immobilization mechanisms of SeO{sub 3}{sup 2−} and SeO{sub 4}{sup 2−} in ettringite are different. • Sorption of SeO{sub 3}{sup 2−} will remove structural water molecules in ettringite. • SeO{sub 3}{sup 2−} could form some inner-sphere complexes in the ettringite structure. • The EXAFS and bond valence theory was applied to determine the sorption mechanism. • The atomic configuration of ettringite surface was proposed after sorption of SeO{sub 3}{sup 2−}.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Monitoring reinforcement corrosion and corrosion-induced cracking by X-ray microcomputed tomography method

X-ray microcomputed tomography (X-ray μCT) method is proposed to trace steel corrosion and corrosion-induced cracking in cement paste. Experimental results show it can track the time-dependent development of steel corrosion and corrosion products, as well as the subsequent initiation and propagation of corrosion-induced cracks. Furthermore, the information of corrosion pits, corrosion products, and corrosion-induced cracks can be clearly obtained from the whole specimen by this novel method. Additionally, SEM/EDS results agree closely with image analyses by X-ray μCT. This method provides a new angle to investigate the reinforcement corrosion process and can help to improve the numerical analysis of corrosion-induced damage in reinforced concrete structures. - Highlights: • Reinforcement corrosion and corrosion-induced cracking is traced by X-ray μCT method. • The development of corrosion products can be determined as a function of time and space. • Subsequent initiation and propagation of corrosion-induced cracks can be monitored. • The time-dependent corrosion process can be quantitative analyzed by X-ray μCT measurement.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Water and chloride ions migration in porous cementitious materials: An experimental and molecular dynamics investigation

The interactions of water and chloride ions penetration into porous mortar have been investigated experimentally and modelled by molecular dynamics. The water distribution visualized by neutron radiography and chloride penetration by Electron Probe Micro-Analysis indicate that separation of chloride ions from water during the penetration process took place and water ran much deeper into the material than chloride ions. The relationship between the penetration depth of water and chloride ions can be described by a linear function despite different water-cement ratio. Furthermore, molecular dynamics attributes the different transport mechanisms of water and ions in porous cementitious materials to three reasons: the nanostructure of hydration product play filtering role to screen chloride ions with larger hydration shell; as compared with water, ions reside in the calcium silicate surface for longer time due to the strong interfacial bonding; chloride ions accumulate and form CaCl ionic cluster, slowing down the migrating rate.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Representative elementary volume (REV) of cementitious materials from three-dimensional pore structure analysis

The representative elementary volume (REV) is a fundamental property of a material, but no direct measurements exist for cementitious materials. In this paper, the REV of cement pastes with supplementary cementitious materials (GGBS, PFA, SF) was determined by analysing the three-dimensional pore structure (> 0.2 μm) using laser scanning confocal microscopy (LSCM). The effect of axial distortion inherent to LSCM on 3D pore structure was also investigated. A range of 3D pore parameters was measured using skeletonisation, maximal ball and random walker algorithms. Results show that axial distortion has insignificant effects on most parameters except Euler connectivity, average pore and throat volumes and directional diffusion tortuosities. Most pore parameters become independent of sampling volume at ≈ 60{sup 3} μm{sup 3} except diffusion tortuosities and formation factor. The REV for porosity calculated based on a statistical approach at eight realisations and 5% relative error was found to be ≈ 100{sup 3} μm{sup 3}.

97 MATHEMATICS AND COMPUTING↗