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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Water dynamics in C–S–H and M-S-H cement pastes: A revised jump-diffusion and rotation-diffusion model

The Quasi-Elastic Neutron Scattering (QENS) spectra from four cement pastes are re-analyzed by a new revised jump-diffusion and rotation-diffusion model (rJRM). From the QENS fit, it can be seen that the rJRM is an improved model to fit QENS spectra within the whole detected neutron energy transfer and scattering vector. By the rJRM fitting, the structure parameters extracted from QENS spectra show that both the additives aluminum-silicate nanotubes (ASN) and carboxyl group functionalized ASN (ASN-COOH) can improve magnesium-silicate-hydrate (M-S-H) toward calcium-silicate-hydrate (C–S–H) direction in mechanical properties, but the improvement is weakened with decreasing temperatures. The extracted dynamical parameters show that there is a dynamic anomaly near 230 K in not only translational but also rotational diffusion of water confined in all the investigated samples. In conclusion, the anomaly in rotational diffusion is new compared with those results obtained by the QENS fit using other models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

CT_Data_of_Gas_Migration_in_Setting_Cement

Computed tomography experimental data associated with the submitted manuscript "Migration of air bubbles in a column of cement slurry" by N’dri Arthur Konan, Eilis Rosenbaum, Dustin Crandall, Mehrdad Massoudi. Full description with citation to be updated when manuscript is accepted.

Computed Tomography↗
DOE OSTI2024

Engineering Design of a Polaris Membrane CO 2 Capture System at a Cement Plant

Sargent & Lundy (S&L) and Membrane Technology and Research, Inc. (MTR) in cooperation with CEMEX, completed an initial engineering design study to evaluate the retrofit of MTR’s membrane-based post-combustion carbon dioxide (CO 2 ) capture technology to the CEMEX Balcones cement plant (Balcones) Kiln 2. The CO 2 capture plant is designed to treat the entire flue gas flow from Kiln 2; it is estimated that this system will capture 2,039 tonnes/day per day (TPD) of CO 2 , approximately 75% of current CO 2 emissions from the kiln. The captured CO 2 is compressed to 2,213 psia (152.58 bara) before flowing to the capture plant boundary tie-point. It was assumed for this study that the CO 2 would be pumped off-site and transferred by pipeline to either a CO 2 storage complex for geological sequestration or elsewhere for Enhanced Oil Recovery (EOR).

42 ENGINEERING↗
DOE OSTI2024

Industrial Carbon Capture from a Cement Facility Using the Cryocap™ FG Process

The objective of the project was to execute and complete front-end engineering and design (FEED) studies for commercial-scale, carbon capture projects that separate 95% of the total CO 2 emissions at an industrial facility, producing at least 100,000 metric tonnes/year of CO 2 for sequestration. The industrial facility selected is the Holcim (US) Ste. Genevieve cement manufacturing facility (the largest single kiln line in the world), while the carbon capture system selected is Pressure Swing Adsorption system (PSA) assisted Cryocap™ technology developed by Air Liquide. The industrial host site emits approximately 3 million tonnes CO 2 /year based on plant data from 2020-2022. The captured CO 2 will meet the requirements of transport (Pipeline Grade) and geological storage, and the geological storage facilities within 80 miles of the CO 2 source. The impact of the project on Environmental Justice and the regional economy was also analyzed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Industrial Carbon Capture from a Cement Facility Using the Cryocap FG Process (FE0032136)

The project's objective was to execute and complete front-end engineering and design (FEED) studies for commercial-scale, carbon capture projects that separate 95% of the total CO2 emissions at an industrial facility, producing at least 100,000 metric tonnes/year of CO2 for sequestration. The industrial facility selected is the Holcim (US) Ste. Genevieve cement manufacturing facility (the largest single kiln line in the world), while the carbon capture system selected is Pressure Swing Adsorption system (PSA) assisted Cryocap™ technology developed by Air Liquide. The impact of the project on Environmental Justice and the regional economy was also analyzed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Industrial Carbon Capture from a Cement Facility Using the CryocapTM FG Process (2023 FECM/NETL Conference Proceeding)

The project's objective was to execute and complete front-end engineering and design (FEED) studies for commercial-scale, carbon capture projects that separate 95% of the total CO2 emissions at an industrial facility, producing at least 100,000 metric tonnes/year of CO2 for sequestration. The industrial facility selected is the Holcim (US) Ste. Genevieve cement manufacturing facility (the largest single kiln line in the world), while the carbon capture system selected is Pressure Swing Adsorption system (PSA) assisted Cryocap™ technology developed by Air Liquide. The impact of the project on Environmental Justice and the regional economy was also analyzed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Carbon Capture Plant Front-End Engineering Design Study for Cement Manufacturing

The objective of this project was to conduct a Front-End Engineering Design (FEED) study for capturing carbon dioxide (CO₂) from cement plant flue gas using non-aqueous solvents (NAS) with a 95% capture efficiency. The study aimed to develop AACE (Association for the Advancement of Cost Engineering) Class 3 cost estimates for a commercial-scale CO₂ capture system with a capacity of 2.4 million tonnes of CO₂ per year (t-CO₂/yr). The results will provide Cemex and the U.S. Department of Energy with reliable data to support investment decisions, evaluate economic feasibility, and guide future project development and implementation.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications

This research endeavors to link the physical and chemical characteristics of select polymer hydrogels to differences in printability when used as printing aids in cement-based printing pastes. A variety of experimental probes including differential scanning calorimetry (DSC), NMR-diffusion ordered spectroscopy (DOSY), quasi-elastic neutron scattering (QENS) using neutron backscattering spectroscopy, and X-ray powder diffraction (XRD), along with molecular dynamic simulations, were used. Conjectures based on objective measures of printability and physical and chemical-molecular characteristics of the polymer gels are emerging that should help target printing aid selection and design, and mix formulation. Molecular simulations were shown to link higher hydrogen bond probability and larger radius of gyration to higher viscosity gels. Furthermore, the higher viscosity gels also produced higher elastic properties, as measured by neutron backscattering spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Guidelines for predicting stress in cemented doublets undergoing temperature change

This work explores quick predictive methods for calculating potentially risky stresses and deflections in cemented doublets experiencing temperature change that agree well with finite element analysis. There are three failure modes of interest: cohesive failure of the adhesive, delamination (surface bond failure or debonding), and glass fracture. Adhesive theory, confirmed by finite element analysis, predicts stress singularities that complicate interpretation of the stress calculations. The presence of a stress singularity indicates the breakdown of linear elastic assumptions, but damage initiation and stress singularities are related. The authors find that geometry details near a bond edge can exacerbate or minimize damage initiation and stress concentrations. Because the interpretation of the stress results is complicated, the authors investigated predicted stresses in doublets that have been successfully tested between -40 and 85 °C. This study found that the product (∆T ∙ ∆α) should be less than 189 ppm, where ∆T is the temperature excursion and ∆α is the difference in glass coefficient of thermal expansion. If the product (∆T ∙ ∆α) is equal to or greater than 189 ppm, further analysis and testing is warranted. But the authors also show that the fabrication process can significantly influence stress failure, particularly with large diameter doublets

42 ENGINEERING↗
DOE OSTI2020

Requalification and Declaration of High-alpha Cemented TRU-waste from the Late 70's and Early 80's - 20499

KTE and Siemens launched a project to qualify a series of 391 waste drums and 115 concrete containers produced from 1979 to 1984. The waste is characterized by a high content of long-lived alpha-nuclides (TRU-waste - Pu, U, Am in the range of 1 E+11-1 E+12 Bq/ drum. This high radionuclide inventory requires a special packaging according to the waste acceptance criteria (WAC) of the repository Konrad [1] despite the fact, that the waste was treated manually. The raw waste originally was delivered in nitric acid solution and was solidified using ordinary Portland cement. The existing documentation comprises analyses, transfer documentation for the nuclear fuel nuclides and waste treatment documentation yielding information, which waste was treated together in a batch. Additionally all drums were subjected to non-destructive gamma-spectrometry assay. A small number of 7 drums were opened and sampled to support the existing declaration. For the entire series the waste products were attributed to defined batches using the accountancy data supported by the analyses and the gamma-spectrometry. Each batch was produced from a homogeneous stock of waste solution and can therefore be declared and documented together. The declaration concept is based on the gamma spectrometry results performed on the entire drums, which were corrected and extended for the uncertainty of the analyses. The declaration concept is verified by the regulator and its independent expert. The state of the project is in the documentation of the solidification campaigns followed by the planning of the container configuration. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Hybrid data-driven cement-stabilized soil design: An integration of machine learning, multi-objective optimization, and life cycle assessment

Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial cost function, served as the objective function in a multi-objective optimization problem solved via the Non-Dominated Sorting Genetic Algorithm II (NSGA-II), with final mix selection guided by the entropy-weighted TOPSIS method. Validation through a case study produced mix designs offering superior strength-cost trade-offs, with the optimal mix achieving 2243.2 kPa unconfined compressive strength and a 16.07 % reduction in carbon emissions compared to the highest-cost design. In conclusion, this study offers a sustainable, scalable approach to soil stabilization and supports informed decision-making in construction.

Life cycle assessment↗
DOE OSTI2023

Early age hydration behavior of portland cement-based binders incorporating fly ash contaminated with flue gas desulfurization products

Fly ash co-mingled with flue gas desulfurization (FGD) products are currently discarded as off-specification materials based on their high SO3 content. However, previous studies have shown that performance of these fly ashes varies significantly based on FGD product type and as such they may be viable for use in low-CO2 concrete as supplementary cementitious materials (SCMs). In this study, fly ashes with three different types of FGD products including calcium sulfite hemihydrate, calcium sulfate (with some unreacted lime), and sodium sulfate (with some unreacted sodium carbonate) were evaluated. The early age hydration behavior in blended cementitious systems at 20% cement replacement level was studied using Vicat setting time tests, isothermal calorimetry, in-situ quantitative X-ray diffraction, and pore solution analysis. The cause of the setting time retardation and flash setting observed in fly ashes with calcium sulfite hemihydrate and sodium carbonate, respectively, were identified and suitable beneficiation options were suggested for the valorized use of these materials in low-CO 2 concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spectroscopic investigations on structural incorporation pathways of FeIII into zeolite frameworks in cement-relevant environments

Fe{sup III}-containing aluminosilicate zeolites are present in cement-relevant and natural environments. Although Fe{sup III} is known to occur in framework tetrahedral sites where it substitutes isomorphically Al{sup III}O{sub 4} or in extra-framework octahedral sites as free Fe(H{sub 2}O){sub 6}{sup 3+}, the structural incorporation process of Fe{sup III} into different sites is little known. We aim to discern feasible pathways of Fe{sup III} incorporation using hydrothermal synthesis methods and synchrotron-based spectroscopic analyses. Results showed that introducing either Fe{sup 3+} or Fe{sub 2}O{sub 3}·xH{sub 2}O initially during zeolite nucleation did not lead to Fe{sup III} incorporation into the zeolites but only Fe{sub 2}O{sub 3}·xH{sub 2}O prevailed in both cases. However, Fe(NO{sub 3}){sub 3}, FeCl{sub 3}, and Fe{sub 2}O{sub 3}·xH{sub 2}O affected the kind of zeolite formed. A feasible pathway to incorporate tetrahedral Fe{sup III} in the zeolite framework was to introduce firstly Fe{sup III} in the cage of faujasite-Y followed by a phase transformation to chabazite. This study facilitates understanding of Fe{sup III} uptake in zeolites and of Fe{sup III} functional sites that can contribute to immobilization of contaminants.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of thermo-mechanical properties of concrete with calcium aluminate cement and special aggregates for energy storage

Highlights: • CAC Concrete with stable aggregates is suitable for high temperatures with cycles. • Concrete suffered performance changes after the first thermal cycle (dehydration). • Subsequent thermal cycles showed stabilization and slight performance decreases. With the ever-expanding presence of solar energy, the design of cost-efficient heat energy storage systems is becoming increasingly relevant. Concrete is a potential solid material for these systems but raises questions of its response at high temperatures in operating conditions. This work studies concrete designed with calcium aluminate cement and three types of aggregates that are stable at high temperatures. The designed concrete mixes were exposed to thermal cycles (290–550 °C), and their thermal fatigue response was evaluated with mechanical, cracking, thermal, and microstructural analyses at room temperature after heat cycles. The obtained results show that the main changes are mostly produced after the first thermal cycle and are stabilized during successive thermal cycles, with only a slight decrease in the thermo-mechanical properties. The results showed stabilization of cracking, crack widths between 10 and 80 μm, reduction of compressive strength, around 50–65%, and reduction of the thermal conductivity by 30%.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Temperature transformation of blended magnesium potassium phosphate cement binders

In this study, a multi-technique approach was utilised to determine the high temperature performance of magnesium potassium phosphate cement (MKPC) blended with fly ash (FA) or ground granulated blast furnace slag (GBFS) with respect to nuclear waste immobilisation applications. Conceptual fire conditions were employed (up to 1200 °C, 30 min) to simulate scenarios that could occur during interim storage, transportation or within a final geological disposal facility. After exposure up to 400 °C, the main crystalline phase, struvite-K (MgKPO{sub 4}·6H{sub 2}O), was dehydrated to poorly crystalline MgKPO{sub 4} (with corresponding volumetric and mass changes), with MgKPO{sub 4} recrystallisation achieved by 800 °C. XRD and SEM/EDX analysis revealed reaction occurred between the MgKPO{sub 4} and FA/GBFS components after exposure to 1000–1200 °C, with the formation of potassium aluminosilicate phases, leucite and kalsilite (KAlSi{sub 2}O{sub 6} and KAlSiO{sub 4}), commensurate with a reduced relative intensity (or complete elimination) of the dehydrated struvite-K phase, MgKPO{sub 4.} This was further supported by solid-state NMR ({sup 27}Al and {sup 29}Si MAS), where only residual features associated with the raw FA/GBFS components were observable at 1200 °C. The high temperature phase transformation of blended MKPC binders resulted in the development of a glass/ceramic matrix with all existing porosity infilled via sintering and the formation of a vitreous phase, whilst the physical integrity was retained (no cracking or spalling). This study demonstrates that, based on small-scaled specimens, blended MKPC binders should perform satisfactorily under fire performance parameters relevant to the operation of a geological disposal facility, up to at least 1200 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Use of microbial carbonation process to enable self‑carbonation of reactive MgO cement mixes

The low hydration and carbonation of reactive MgO cement (RMC) under ambient conditions causes prolonged setting and low compressive strengths (~4 MPa). This study proposed a unique technique which led to the enhancement of the hydration and carbonation processes via the synergistic combination of microbial carbonation process (MCP) with a hydration agent (HA) that enabled the self‑carbonation of RMC-based mixes without using of any special curing environments. Through hydrolysing urea (CO(NH{sub 2}){sub 2}) using ureolytic bacteria, CO{sub 3}{sup 2−} ions were produced to facilitate the carbonation of dissolved Mg{sup 2+} ions to form hydrated magnesium hydroxy carbonates (HMHCs). The self‑carbonation of RMC enabled by the MCP resulted in formation of brucite with a poor crystallinity and its rapid conversion into HMHCs, which improved the setting time and compressive strength of RMC-based samples. The simultaneous use of MCP with 2 M urea and HA revealed HMHCs with improved morphologies, resulting in the highest compressive strength (~15 MPa).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantitative microstructural investigation of 3D-printed and cast cement pastes using micro-computed tomography and image analysis

Highlights: • Processing alters the microstructure in 3D-printed lamellar cubic element. • A unique patterned and connected pore microstructure network exists. • Micro-channels are connected through micro-pores present at interfaces regions. • Three distinct pore volume domains exists in hardened microstructure. • Volume and frequency of pore, hydrated, and unhydrated clusters are dissimilar. Microstructural phases and mechanical properties of lamellar 3D-printed and cast hardened cement paste (hcp) elements were investigated using a lab-based X-ray microscope at two levels of magnification (0.4× and 4×). K-means clustering was used for quantitative image analysis. The entire volume of intact 3-days-old 3D-printed and cast hcp elements was characterized at 0.4× magnification. Three microstructural features (macro-pores, micro-channels, and interfacial micro-pores) were found to reside in three distinct pore size domains. The largest pores of the 3D-printed element were larger than the largest pores of the reference cast hcp element. Moreover, the smallest pore sizes of the 3D-printed element were found to be smaller than those present in the cast counterparts. Micro-channels were found to be connected to one another through the micro-pores present at interfacial regions, indicating the presence of a uniquely patterned and interconnected pore network. The role of locally weak and porous interfaces on mechanical response and fracture properties is discussed.

36 MATERIALS SCIENCE↗