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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Adsorption mechanisms of cesium at calcium-silicate-hydrate surfaces using molecular dynamics simulations

We report understanding the mechanisms of interactions and immobilization of radionuclides in cement systems at the molecular level is key to developing safe and novel solutions for the long-term storage of nuclear wastes. The molecular level adsorption mechanisms of cesium (Cs + ) ions onto tobermorite 9 Å, tobermorite 14 Å, and jennite – three crystalline structural analogues for calcium-silicate-hydrates, the main components in cement-based materials, were investigated using molecular dynamics (MD) simulations. Convergence monitoring of the simulations, using the root mean square displacement with average correlation analysis, indicated that MD trajectories of 10–15 ns were needed given the size of the selected computational cell to properly capture the dynamic process of adsorption. Cs + ions adsorbed as inner-sphere complexes at the tobermorite surfaces, while they showed lower affinity for jennite. The charge and structure of the surface layer strongly influenced the adsorption mechanisms of Cs + ions. Strong association with the hexagonal cavities of the silica sites were seen at the tetrahedral SiO 4 surface of the tobermorite structures. Cs + ion adsorption was attributed to co-ion adsorption at the octahedral CaO 6 surface of tobermorite 9 Å, cation exchange at that of tobermorite 14 Å, and electrostatic interaction with the surface hydroxyl groups for jennite. Distribution coefficients of Cs + ions onto cement pastes derived from molecular dynamics by taking the surface structure and dynamics of Cs + ions directly into account showed a range of overlap with experimental results.

42 ENGINEERING↗
DOE OSTI2019

How Microstructure and Pore Moisture Affect Strength Gain in Portlandite-Enriched Composites That Mineralize CO 2

Binders containing portlandite (Ca(OH) 2 ) can take up carbon dioxide (CO 2 ) from dilute flue gas streams (<15% CO 2 , v/v), thereby forming carbonate compounds with binding attributes. While the carbonation of portlandite particulates is straightforward, it remains unclear how CO 2 transport into monoliths is affected by microstructure and pore moisture content. Therefore, this study elucidates the influences of pore saturation and CO 2 diffusivity on the carbonation kinetics and strength evolution of portlanditeenriched composites (“mortars”). To assess the influences of microstructure, composites hydrated to different extents and conditioned to different pore saturation levels (S w ) were exposed to dilute CO 2 . First, reducing saturation increases the gas diffusivity and carbonation kinetics so long as saturation exceeds a critical value (S w,c ≈ 0.10) independent of microstructural attributes. Second, careful analysis reveals that both traditional cement hydration and carbonation offer similar levels of strengthening, the magnitude of which can be estimated from the extent of each reaction. As a result, portlandite-enriched binders offer cementation performance that is similar to traditional materials while offering an embodied CO 2 footprint that is more than 50 % smaller. Furthermore, these insights are foundational to create new “low-CO 2 ” cementation agents via in situ CO 2 mineralization (utilization) using dilute CO 2 waste streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Radiological risk assessment of environmental radon

Measurements of radon gas ({sup 222}Rn) in the environmental are important to assess indoor air quality and to study the potential risk to human health. Generally known that exposure to radon is considered the second leading cause of lung cancer after smoking. The environmental radon concentration depends on the {sup 226}Ra concentration, indoor atmosphere, cracking on rocks and building materials. This study was carried out to determine the indoor radon concentration from selected samples of tin tailings (amang) and building materials in an airtight sealed homemade radon chamber. The radiological risk assessment for radon gas was also calculated based on the annual exposure dose, effective dose equivalent, radon exhalation rates and fatal cancer risk. The continuous radon monitor Sun Nuclear model 1029 was used to measure the radon concentration emanates from selected samples for 96 hours. Five types of tin tailings collected from Kampar, Perak and four samples of building materials commonly used in Malaysia dwellings or building constructions were analysed for radon concentration. The indoor radon concentration determined in ilmenite, monazite, struverite, xenotime and zircon samples varies from 219.6 ± 76.8 Bq m{sup −3} to 571.1 ± 251.4 Bq m{sup −3}, 101.0 ± 41.0 Bq m{sup −3} to 245.3 ± 100.2 Bq m{sup −3}, 53.1 ± 7.5 Bq m{sup −3} to 181.8 ± 9.7 Bq m{sup −3}, 256.1 ± 59.3 Bq m{sup −3} to 652.2 ± 222.2 Bq m{sup −3} and 164.5 ± 75.9 Bq m{sup −3} to 653.3 ± 240.0 Bq m{sup −3}, respectively. Whereas, in the building materials, the radon concentration from cement brick, red-clay brick, gravel aggregate and cement showed 396.3 ± 194.3 Bq m{sup −3}, 192.1 ± 75.4 Bq m{sup −3}, 176.1 ± 85.9 Bq m{sup −3} and 28.4 ± 5.7 Bq m{sup −3}, respectively. The radon concentration in tin tailings and building materials were found to be much higher in xenotime and cement brick samples than others. All samples in tin tailings were exceeded the action level for radon gas of 148 Bq m{sup −3} proposed by EPA except monazite 0.15 kg, struverite 0.15 kg and 0.25 kg. Whereas, all building material samples have exceeded the radon concentration in concrete and building materials of 3 to 7 Bq m{sup −3} estimated by ICRP. The annual effective dose, effective dose equivalent, and radon exhalation rates in tin tailings were calculated to be in the range of 2.47 to 11.46 mSv, 5.94 to 1090.56 mSv y{sup −1}, and 0.23 to 1.18 mBq kg{sup −1} h{sup −1}. For building materials, the calculated risk assessment of the annual effective dose, effective dose equivalent, radon exhalation rates and fatal cancer risk were 0.72 to 10.00 mSv, 1.73 to 24.00 mSv y{sup −1}, 0.010 to 0.06 mBq kg{sup −1} h{sup −1} and 40 to 550 chances of persons will suffer the cancer per million (1 × 10{sup 6}), respectively.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Nondestructive detection and characterization of carbonation in concrete

Exposure of concrete to the environment leads to changes in composition, microstructure, and properties; these effects often start from the surface of a concrete structure. A specific, widespread environmental effect is carbonation, where carbon dioxide penetrates the surface of concrete and reacts with calcium hydroxide that is a product of Portland cement hydration in concrete. Carbonation is of interest not only because it can lead to the initiation of reinforcement corrosion, but also carbon is increasingly used during curing to alter the surface properties of cement-based materials as a method to 'sink' carbon in cement-based materials. Nonlinear Rayleigh surface wave measurements are performed on uncarbonated and carbonated concrete samples to assess any mechanical changes induced by carbonation,. In order to minimize the effects of contact conditions, the generated signals are detected by a noncontact air-coupled transducer (100 kHz) at locations along the propagation axis. The nonlinearity parameter, β is used to quantitatively characterize the degree of carbonation. To more accurately analyze the data, corrections are made for the effects of attenuation and diffraction. A comparison between the carbonated and uncarbonated samples demonstrates that pores and micro-cracks are affected by the carbonation product and these significantly change the measured nonlinearity parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Quality control of concrete at the stage of designing its composition and technology

The results of tests on samples of foam concrete with a hardening accelerator are presented. As the setting and hardening accelerators the following chemical additives were used: Universal-P-2 and Asilin 12. All additives were added into the insulating foam concrete mix of brand D 400 in the amount of 0.5% to 1% of cement weight. By using of additives in foam concrete technology – hardening accelerators Asilin 12 and Universal P2 in the amount of 0.5 % - and 1.0% by weight of cement foam concrete structure formation is accelerated and increases strength by 60%. For the industrial preparation of foam concrete mix technological regulations are worked out, in which it is recommended to use additives – hardening accelerators Asilin 12 in the amount of 0.5% and Universal P2 - 1% of cement weight.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Effect of calcite filler on carbonation behavior in a synthesized C‐S‐H binder

Widespread implementation of portland limestone cements (PLC) in industry has raised new questions about their carbonation resistance due to higher initial limestone content than ordinary portland cement. While carbonation of portland cement and each of its hydrate phases has been studied at a fundamental level, the integral role of how limestone fillers interact chemically or physically during carbonation necessitates further study. In this study, a C-S-H binder comprised of a highly reactive zeolite pozzolan and lime was used to evaluate the effect of varying calcite additions on carbonation behavior at a microstructural level. Fundamental insight into hydration kinetics and carbonation mechanisms of hydraulic binders was obtained via analysis of the C-S-H and calcite microstructure. X-ray microcomputed tomography (X-ray CT) was used to quantify microstructural changes, and the results showed a decrease in shrinkage for increased calcite dosages, with a ∼50% reduction observed for a 45% wt. calcite replacement level. Crystallographic and thermal analyses measured compositional changes in the binder and confirmed that shrinkage was related to the decalcification of C-S-H. Furthermore, the addition of calcite to the C-S-H binder effectively reduced the liquid-to-solid ratio, porosity, and amount of C-S-H present in these binders. Ultimately, these results help elucidate how the carbonation risks of PLC can be mitigated by proportioning the mixture water only to the reactive component of the binder.

C-S-H↗
DOE OSTI2023

Integrated Design of Ultradurable, Low CO 2 Alternative Binder Systems via Machine Learning

This ARPA-E project developed a machine learning tool to use in formulation design of cementitious binders for concrete having 50% less embodied CO 2 and possessing twice the durability compared to concrete based on ordinary portland cement (OPC) binders. The technical focus was on limestone/calcined clay cement (LC3), the leading replacement for OPC. Here, hierarchical machine learning (HML) was used to model the flowability, set time, strength, and durability of LC3 concrete. This methodology identifies latent variables derived from domain knowledge and empirical models that develop an accurate model for a response surface from small datasets. For the flowability metric, particle packing was a dominant factor, while strength and durability were both strongly determined by the fraction of metakaolin and the water:solids ratio. Under constraints of water:binder ratio, material performance metrics, embodied CO 2 , and cost per tonne of OPC, multi-objective optimization was used to design binders parameterized by the mineral composition replacing OPC, particle size distributions, and water:solids ratio. The trained algorithm was able to predict multiple mixes met these performance criteria, and experimental testing validated the predictions. The model demonstrated here is relevant for North America, where pure kaolin deposits are found broadly. The approach is being taken forward into commercial application by Ansatz AI, a materials informatics company founded by PI Washburn and co-PI Poczos. Through collaborations with the cement and concrete industry, and funding from SBIR programs, a commercial software will be developed in future research.

36 MATERIALS SCIENCE↗
DOE OSTI2015

X-Ray Diffraction of Slag-Based Sodium Salt Waste Forms - 15513

Cementitious materials are used to solidify and stabilize aqueous based radioactive waste containing sodium salts. The types and proportions of cementitious ingredients used to treat aqueous radioactive waste streams containing sodium salts depend on the performance objectives for the waste forms and the compositions of the waste streams. This paper documents sample preparation and x-ray diffraction results for a series of materials made with water or highly alkaline sodium salt simulated waste water and cementitious binders. The objective of this study was to: 1) generate a base line for the evolution of the waste form as a function of time and conditions, 2) design new binders based on mineralogy of the binder, 3) understand and predict anion and cation leaching behavior of contaminants of concern, and 4) predict performance of the waste forms for which phase solubility and thermodynamic data are available. Characterization of the mineralogy is also important for understanding the buffering effects that the waste form has on infiltrating water / leachates. In summary, mixtures of Type II portland cement, Grade 100 ground granulated blast furnace slag (GGBFS) and carbon burn-out (CBO) Class F Fly ash which were hydrated with water contained hydrated phase assemblages typical of those reported in the literature. The calcium silicate hydrate phase assemblage in samples hydrated with the alkaline 4.4 M sodium salt simulated waste solution was found to be a function of the (CaO + MgO) / (SiO{sub 2} + Al{sub 2}O{sub 3}) ratio of the samples characterized. No significant differences were detected in samples cured 2 months and 14 months in sealed containers at ambient indoor temperatures. Slag and a blend of slag and cement hydrated with caustic 4.4 M Na salt solution resulted in the most crystalline matrix. In addition to poorly ordered C-S-H, these samples contained fairly well ordered C-S-H I (a precursor of 14A tobermorite) and 11 A Al-substituted tobermorite. These crystalline C-S-H phases did not form or were present in only trace amounts in slag blends containing about 45 to 62 mass percent fly ash. These slag-Class F fly ash blends had a higher silica plus alumina content relative to lime and magnesia than the blends that produced C-S-H I and Al-substituted tobermorite. The calcium silicate binder in the 10:45:45 mixture of cement: slag: fly ash was made up of poorly ordered C-S-H. The sample cured for 14 months may contain a small amount of the more crystalline calcium silicate hydrate phases. Layered double hydroxides in the hydrotalcite (magnesium-aluminum carbonate hydroxide) and hydrocalumite / AFm phases (calcium aluminum hydroxide) were present in mixtures containing slag. The specific phase(s) were not identified because these phases form solid solutions and have a considerable amount of overlap in their x-ray patterns. Sodium nitrate was the only sodium salt phase identified in x-ray diffraction patterns of the samples hydrated with salt solution. Drying during x-ray diffraction sample preparation may have resulted in precipitation of the sodium nitrate or it may have been present in the samples prior to x-ray sample preparation. Sodium sulfate, aluminate, and carbonate may have been incorporated in the structures of the layered double hydroxide (AFm) type phases. These mixed metal layered double hydroxides make up an important fraction of the matrix in the slag containing blends hydrated with caustic salt solution. They are among the few oxide-based phases that exhibit substantial, permanent anion exchange capacity [Kirkpatrick, et al. 1999, Plamer, et al., 2009, and Zhang and Reardon, 2003]. They also contribute to the structural properties of cementitious matrices [Taylor, 1997]. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Understanding Radionuclide Interactions with Cementitious Materials for Radioactive Waste Management - 18298

In the UK, ILW is currently managed using cementitious encapsulation in Portland cement (PC)-based grouts. The long-term behaviour of radionuclides in ILW cementitious waste-forms under varying local conditions of extended interim storage and geological disposal is not well understood and the behaviour of cement minerals in the retention of various radionuclides is poorly constrained. This work focuses on the Ca-Si-[Al,Mg,S] mineral system and how this may evolve with the introduction of radionuclides into the system. Here, we discuss the experimental program aimed at underpinning the uptake and retention mechanisms of a range of key radionuclides (U, Tc, Ce/Pu), with selected cement phases: calcium-silicate-hydrate (C-S-H), hydrotalcite (Mg{sub 6}Al{sub 2}CO{sub 3}(OH)16.4H{sub 2}O) and ettringite (Ca{sub 6}(Al{sub 2}O{sub 6})(SO{sub 4}){sub 3}.32H{sub 2}O). Described here is the syntheses of C-S-H and radionuclide incorporation experiments performed on this phase. Further to this, thermodynamic geochemical modelling has been adopted to explore the Ca-Si-U mineral system, aimed at identifying the mineral phases likely to form on contact of C-S-H phases with aqueous uranium, as a function of pH. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Wash Penalty Factors: Insight into the Effects of Water Wash Down of Building Materials for Radionuclide/Nuclear (Rn) Decontamination - 20153

The release of radiological material to the urban environment can have a devastating socio-economic impact. In an urban release scenario, areas around the dispersal epicenter and any areas contaminated via atmospheric deposition may require extensive decontamination. Most recently, our group reported the decontamination efficacy of pressurized water washing of common porous building materials, and compared the penetration depth of the contaminations before and after exposure to pressurized tap water. Here, we continue evaluation of the decontamination efficacy of wash solutions based on potassium (K{sup +}) salt for cesium (Cs), strontium (Sr), and europium (Eu) contaminations on common building surfaces. The surfaces included: the cement used in concrete, the aggregate used in concrete, intact concrete, roadway asphalt, asphalt shingles, and latex paint. We deposited solutions of {sup 137}Cs, {sup 85}Sr, and {sup 152}Eu onto numerous common building materials and exposed these materials to a static bath or low-pressure flow of tap water, 0.1 M potassium chloride (KCl), and 0.5 M KCl. The decontamination efficacy and the depth profile for residual contamination were measured to determine the conditions under which applying a wash solution has benefit compared to physically removing the surface material. To aid in these analyses, we introduced a 'wash penalty factor' to quantify the degree to which contamination migrated into the bulk material by the action of the wash method. On asphalt, 70-80% of the radionuclides were found to be within 0.02 mm of the surface. Cs{sup +} bonded to negative charge sites on the surface of the mineral aggregate (used in concrete) so decontamination was improved by ion exchange with K{sup +}. Sr{sup 2+} is soluble and removed by water, while not bonding to aggregate or demonstrating solubility in the liquid asphalt. Eu{sup 3+} is precipitated and not removed in gentle wash but displays mobility within the pore space that suggests its presence as a colloid. Concrete is more porous than asphalt, and 80% of the radionuclides were within 0.2 mm of the surface for {sup 137}Cs and {sup 152}Eu and 50- 80% for {sup 85}Sr. On concrete, Cs{sup +} bonds similarly to asphalt. Sr{sup 2+} bonds to the cement or precipitates from the alkaline pore water. Eu{sup 3+} sorbs to the cement and then precipitates. In brick, the results for Cs{sup +} and Sr{sup 2+} suggested that diffusion of ions from deeper in the coupon was important. Eu{sup 3+} is removed poorly due to precipitation. We will explain and report example wash penalty factors that vary from 0 to > 1 for the various methods and the implications for deciding when to implement wash down methods. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Mechanism of formation of wiggly compaction bands in porous sandstone: 2. Numerical simulation using discrete element method

Wiggly compaction bands in porous aeolian s andstone vary from chevron shape to wavy shape to nearly straight. In some outcrops these variations occur along a single band. Here, a bonded close-packed discrete element model is used to investigate what mechanical properties control the formation of wiggly compaction bands (CBs). To simulate the volumetric yielding failure of porous sandstone, a discrete element shrinks when the force state of one of its bonds reaches the yielding cap defined by the failure force and the aspect ratio (k) of the yielding ellipse. A Matlab code “MatDEM 3D ” has been developed on the basis of this enhanced discrete element method. Mechanical parameters of elements are chosen according to the elastic properties and the strengths of porous sandstone. In numerical simulations, the failure angle between the band segment and maximum principle stress decreases from 90° to approximately 45° as k increases from 0.5 to 2, and compaction bands vary from straight to chevron shape. With increasing strain, subsequent compaction occurs inside or beside compacted elements, which leads to further compaction and thickening of bands. The simulations indicate that a greater yielding stress promotes chevron CBs, and a greater cement strength promotes straight CBs. Combined with the microscopic analysis introduced in the companion paper, we conclude that the shape of wiggly CBs is controlled by the mechanical properties of sandstone, including the aspect ratio of the yielding ellipse, the cri tical yielding stress, and the cement strength, w hich are d etermined primarily by petrophysical attributes, e.g., grain sorting, porosity, and cementation.

58 GEOSCIENCES↗
DOE OSTI2019

Determination of CO 2 capture during accelerated carbonation of engineered cementitious composite pastes by thermogravimetry

The concerns about greenhouse gas emissions have triggered investigations among the scientific community. The accelerated carbonation curing has been used as a tool to capture CO 2 at early stages of cement-based material fabrication. In a previous study, the authors quantified the amount of CO 2 captured in portland cement pastes by thermal analysis, at high relative humidity precure conditions. In the present work, the authors quantified the amount of CO 2 captured in binary pastes derived from engineered cementitious composites (ECC), a family of composites worldwide used, whose one of their features is the precure at low relative humidity conditions. Two types of ECC pastes (1.2 and 2.2) were submitted to 4 h and 24 h of accelerated carbonation after 24 h of initial hydration. Using thermogravimetry and derivative thermogravimetry, the amounts of captured CO 2 and respective carbonation degrees were quantified. Furthermore, the results showed that ECC paste 1.2 presented the highest values of captured CO 2 and carbonation degree, considering all reactive components. In contrast, ECC paste 2.2 presented the highest values of these two parameters, when considering only portland cement as reactive component. For both pastes, the hydration degrees of the carbonated samples were higher than those of the non-carbonated references, indicating that in the used operating conditions, carbonation enhances ECC paste hydration.

42 ENGINEERING↗
DOE OSTI2019

High-speed X-ray visualization of dynamic crack initiation and propagation in bone

The initiation and propagation of physiological cracks in porcine cortical and cancellous bone under high rate loading were visualized using high-speed synchrotron X-ray phase-contrast imaging (PCI) to characterize their fracture behaviors under dynamic loading conditions. A modified Kolsky compression bar was used to apply dynamic three-point flexural loadings on notched specimens and images of the fracture processes were recorded using a synchronized high-speed synchrotron X-ray imaging set-up. Three-dimensional synchrotron X-ray tomography was conducted to examine the initial microstructure of the bone before high-rate experiments. The experimental results showed that the locations of fracture initiations were not significantly different between the two types of bone. However, the crack velocities in cortical bone were higher than in cancellous bone. Crack deflections at osteonal cement lines, a prime toughening mechanism in bone at low rates, were observed in the cortical bone under dynamic loading in this study. Fracture toughening mechanisms, such as untracked ligament bridging and bridging in crack wake were also observed for the two types of bone. The results also revealed that the fracture toughness of cortical bone was higher than cancellous bone. The crack was deflected to some extent at osteon cement line in cortical bone instead of comparatively penetrating straight through the microstructures in cancellous bone. Statement of Significance Fracture toughness is with great importance to study for crack risk prediction in bone. For those cracks in bone, most of them are associated with impact events, such as sport accidents. Consequently, we visualized, in real-time, the entire processes of dynamic fractures in notched cortical bone and cancellous bone specimens using synchrotron X-ray phase contrast imaging. The onset location of crack initiation was found independent on the bone type. We also found that, although the extent was diminished, crack deflections at osteon cement lines, a major toughening mechanism in transversely orientated cortical bone at quasi-static rate, were still played a role in resisting cracking in dynamically loaded specimen. Furthermore, these finding help researchers to understand the dynamic fracture behaviors in bone.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Multiscale characterization of chemical–mechanical interactions between polymer fibers and cementitious matrix

Together with a series of mechanical tests, the interactions and potential bonding between polymeric fibers and cementitious materials were studied using scanning transmission X-ray microscopy (STXM) and microtomography (lCT). Experimental results showed that these techniques have great potential to characterize the polymer fiber-hydrated cement-paste matrix interface, as well as differentiating the chemistry of the two components of a bi-polymer (hybrid) fiber the polypropylene core and the ethylene acrylic acid copolymer sheath. Similarly, chemical interactions between the hybrid fiber and the cement hydration products were observed, indicating the chemical bonding between the sheath and the hardened cement paste matrix. Microtomography allowed visualization of the performance of the samples, and the distribution and orientation of the two types of fiber in mortar. Beam flexure tests confirmed improved tensile strength of mixes containing hybrid fibers, and expansion bar tests showed similar reductions in expansion for the polypropylene and hybrid fiber mortar bars.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperature

This work studies the evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperatures (up to 800 °C). A multiscale investigation is carried out to study the thermal degradation of cementitious composite materials at multiple scale levels: at cement past level, the dehydration kinetics of cement hydrates (i.e., C–S–H, CH and aluminate hydrates) and development of microcracks are studied as functions of exposure temperatures. The damage mechanism of the inclusion phases and damages within the interfacial transition zone (ITZ) under elevated temperature are also investigated. In addition, the change of mechanical (i.e., elastic moduli, compressive strengths) and thermal (thermal conductivities) properties are measured as functions of the exposure temperature. Based on the experimental studies, a multiscale thermal degradation model is developed where the thermal degradations of cement paste (including water composition, porosity, and solid phase changes), inclusion phases, and the interfaces are captured through a multiscale sub-stepping homogenization scheme. The thermal degradation model is validated through multiple sets of experimental data. Finally, the influence of key parameters including the particle size distribution of the inclusions, the chemical composition, as well as the effects of ITZ damage are studied.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The effect of acid treatment on the reactivity of natural zeolites used as supplementary cementitious materials

This work investigated the use of acid treatment as a method for increasing the reactivity of natural zeolite used as a supplementary cementitious material. The effects of treating a natural clinoptilolite zeolite with nine acid solutions, 0.1 M, 0.5 M, or 1 M hydrochloric or nitric acid or 0.1 M, 0.5 M, or 0.87 M acetic acid, were measured using x-ray diffraction, particle size analysis, pore size distribution and surface area analysis. The zeolite pozzolanic reactivity was determined by measuring the quantity of portlandite in hydrated zeolite-cement paste after 28 and 90 days. Results showed that acid treatment increased zeolite surface area, resulting in increased zeolite pozzolanic reactivity, independent of the solution concentration used. Cement hydration was also increased, evidenced by greater rates of heat evolution from cement-zeolite pastes. Additionally, although reductions of portlandite occurred most quickly in pastes with zeolites treated with strong acids, by 90 days the zeolites treated with acetic acid solutions showed comparable portlandite reductions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Towards ternary binders involving limestone additions — A review

The review summarises literature to examine the transition from portland limestone cement system to composite ternary binder systems involving limestone. Interest in limestone addition as an ideal component in multicomponent binder systems has surged as evident from the large volume of literature published in the recent past. A ternary blended system, with co-substitution of limestone, has the potential to complement the reaction of the supplementary cementitious materials (SCMs). The direct addition of limestone powder helps to attain higher substitution levels of portland cement clinker, improve early age properties, and supplement SCM's reactivity. However, the dilution of hydrates could hamper the long-term benefits. In this review, the interaction of fine limestone is classified and elaborated under two broad umbrellas: physical and chemical interactions. The physical interactions can manifest in three ways, namely, filler action, shearing action and improved packing, which alters reaction rate and extent at early ages. The chemical interactions also modify the reaction kinetics and phase assemblage due to nucleation of C-S-H on calcite surfaces, preservation of the ettringite phase and formation of carboaluminates. Two different forms of carboaluminate hydrates — hemicarboaluminate and mono-carboaluminate can be present in the hydrate matrix depending on the balance between carbonate ions and aluminates in the pore solution. Several factors such as replacement level, particle size, choice of SCM, its reactivity and reactive aluminates content, sulphate levels, curing temperature, and duration of curing can control the carboaluminate formation, reaction degree of SCMs and chemical interaction from limestone additions. A combination of physical and chemical effects makes fine limestone a potential material for co-substitution with aluminosilicate based SCMs, mainly fly ash, slag, and calcined clay. In this review, the factors affecting limestone-SCM composites are summarised based on a detailed literature survey. The effects of SCM-limestone cement composites on hydration kinetics, reaction chemistry, the reactivity of SCMs, the stability of hydrated phases, and contribution to the physical structure development and macroscopic properties by evaluating hydration and mechanical properties are discussed. The importance of AFm (Al{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}-mono) phases in various deterioration mechanisms in concrete and their influence on performance characteristics in different exposure environment is critically appraised.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mechanochemical synthesis of hydraulically reactive calcium silicate minerals via thermally-assisted mechanical grinding

This study explores a thermally assisted mechanochemical approach alternative to conventional cement synthesis as a potential to produce hydraulically reactive calcium silicate phases. Ball milling of mixed CaO/SiO 2 feedstocks at temperature ranges 100-300 °C increases the formation of the Ca-O-Si bonds and precursor reactivity. Spectroscopic analyses (FTIR, MAS-NMR, UV-Vis DRS) indicate increasing amorphization with milling temperature, attributed to improved mixing and thermally assisted diffusion. Upon hydration, all treated samples exhibit exothermic heat release, with the sample prepared at 300 °C showing the most pronounced reactivity. Thermal analysis reveals weight loss consistent with C-S-H formation, confirming cement-like behavior. In summary, moderate thermal input during milling promotes structural activation and enhances downstream hydraulic reactivity, providing a proof-of-concept for energy-reduced cement precursor processing.

Alite↗