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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multiphysics and Multiscale Modeling of Coupled Transport of Chloride Ions in Concrete

Chloride ions (Cl−)-induced corrosion is one of the main degradation mechanisms in reinforced concrete (RC) structures. In most situations, the degradation initiates with the transport of Cl− from the surface of the concrete towards the reinforcing steel. The accumulation of Cl− at the steel-concrete interface could initiate reinforcement corrosion once a threshold Cl− concentration is achieved. An accurate numerical model of the Cl− transport in concrete is required to predict the corrosion initiation in RC structures. However, existing numerical models lack a representation of the heterogenous concrete microstructure resulting from the varying environmental conditions and the indirect effect of time dependent temperature and relative humidity (RH) on the water adsorption and Cl− binding isotherms. In this study, a numerical model is developed to study the coupled transport of Cl− with heat, RH and oxygen (O2) into the concrete. The modeling of the concrete microstructure is performed using the Virtual Cement and Concrete Testing Laboratory (VCCTL) code developed by the U.S. National Institute of Standards and Technology (NIST). The concept of equivalent maturation time is utilized to eliminate the limitation of simulating concrete microstructure using VCCTL in specific environmental conditions such as adiabatic. Thus, a time-dependent concrete microstructure, which depends on the hydration reactions coupled with the temperature and RH of the environment, is achieved to study the Cl− transport. Additionally, Cl− binding isotherms, which are a function of the pH of the concrete pore solution, Cl− concentration, and weight fraction of mono-sulfate aluminate (AFm) and calcium-silicate-hydrate (C-S-H), obtained from an experimental study by the same authors are utilized to account for the Cl− binding of cement hydration products. The temperature dependent RH diffusion was considered to account for the transport of Cl− with moisture transport. The temperature and RH diffusion in the concrete domain, composite theory, and Cl− binding and water adsorption isotherms are used in combination, to estimate the ensuing Cl− diffusion field within the concrete. The coupled transport process of heat, RH, Cl−, and O2 is implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE) developed by the U.S. Idaho National Laboratory (INL). The model was verified and validated using data from multiple experimental studies with different concrete mixture proportions, curing durations, and environmental conditions. Additionally, a sensitivity analysis was performed to identify that the water-to-cement (w/c) ratio, the exposure duration, the boundary conditions: temperature, RH, surface Cl− concentration, Cl− diffusion coefficient in the capillary water, and the critical RH are the important parameters that govern the Cl− transport in RC structures. In a case study, the capabilities of the developed numerical model are demonstrated by studying the complex 2D diffusion of Cl− in a RC beam located in two different climatic regions: warm and humid weather in Galveston, Texas, and cold and dry weather in North Minnesota, Minnesota, subjected to time varying temperature, RH, and surface Cl− concentrations.

composite theory↗
DOE OSTI2021

DEM analysis of the effect of interface transition zone on dynamic splitting tensile behavior of high-strength concrete based on multi-phase model

Highlights: • Crushable aggregates with the real geometry shape are generated by using clump-cluster method. • Flat-Joint Model is adopted as the constitutive law. • The tensile strength is almost not affected by ITZ strength when its strength exceeds 0.8 times that of mortar. • A modified formula that can reflect the functional relationship between the ITZ strength and the TDIF is proposed. The tensile strength is one of the main parameters in the design of concrete structures and has an important influence on the cracking performance and durability of concrete materials. As the weak region in concrete, the strength of the interface transition zone (ITZ) directly affects the dynamic mechanical response of concrete. Meanwhile, considering that the tensile performance of concrete is far weaker than its compressive performance, the study of the strength of ITZ is of great significance to the dynamic tensile fracture characteristics and mechanical properties of concrete. In this paper, a method combining 3D scanning technology and Clump-Cluster was proposed to generate a real geometry shape model of crushable aggregate. On this basis, the 3D discrete element model (DEM) of high-strength concrete was constructed using the Flat-Joint Model (FJM). The effects of the ITZ strength on the failure mode, number of microcracks, tensile strength and strain rate effect of high-strength concrete under strain rates from 0.01/s to 100/s were studied by splitting tensile test. The simulation results indicate that the number of microcracks generated decreases with the increase of ITZ strength, and the proportion of ITZ cracks decreases obviously. When the ITZ strength exceeds the critical value of 0.8 times that of mortar, the tensile strength is almost not affected by ITZ strength. In addition, based on the numerical simulation results, a modified formula that can reflect the functional relationship between the ITZ strength and the dynamic increasing factor of the concrete tensile strength (TDIF) is proposed, and the rationality of the TDIF modified formula is verified.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Partial deconfinement at strong coupling on the lattice

We provide evidence for partial deconfinement — the deconfinement of a SU(M) subgroup of the SU(N) gauge group — by using lattice Monte Carlo simulations. We take matrix models as concrete examples. By appropriately fixing the gauge, we observe that the M × M submatrices deconfine. This gives direct evidence for partial deconfinement at strong coupling. We discuss the applications to QCD and holography.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Broad sterile neutrinos & the reactor/gallium tension

Significant evidence exists for the apparent disappearance of electron-type neutrinos in radioactive source experiments. Yet, interpreted within the standard ‘3+1 sterile neutrino scenario’, precision short-baseline measurements of electron antineutrinos from nuclear reactors strongly disagree with these results. Recently, it has been demonstrated that allowing for a finite wavepacket size for the reactor neutrinos can ameliorate such a tension, however the smallness of the required wavepackets is a subject of intense debate. In this work, we demonstrate that a ‘broad’ sterile neutrino may relax this tension in much the same way. Such a phenomenological possibility can arise in plausible hidden sector scenarios, such as a clockwork-style sector, for which we provide a concrete microscopic model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Thermally induced cracking on the massive concrete structure of the NSLS II synchrotron and its engineering remediation

Synchrotron accelerator facilities such as the NSLS II require extreme stability, both transient (short-term) and quasi-static (long-term) to achieve the desired resolution performance. Consequently, even μm-level movements, particularly differential movements between locations in the concrete structure supporting the accelerator electron beam lattice (storage ring) or high sensitivity experiments (experimental floor) will lead to serious degradation of its performance. Differential settlement in the overall structure or structural movement exceeding anticipated levels will inevitably degrade the performance and will require intervention. Presented in this paper are the design philosophy of the NSLS II ring structure favoring a monolithic ring, the observed cracking behavior of the young NSLS II concrete following casting and in combination with extreme ambient temperature fluctuation, the results of a non-linear, high-fidelity numerical analysis used to emulate the observed cracking and establish the driving mechanism, the numerical analysis-based identification of the crack-arresting solution and finally the implementation of the remediation solution and the long-term performance of the adopted engineering solution. The multi-stage process revealed that computational methods such as non-linear finite element methods have the potential of providing engineering guidance even when complex structures and in combination with non-linear materials, such as steel reinforcement and concrete are involved.

42 ENGINEERING↗
DOE OSTI2024

Bespoke Liquid/Liquid Interfaces (Final Technical Report)

The goal of DE-SC0001815 was to advance the basic science of liquid:liquid interface formation, to develop a deeper understanding of the mechanisms of phase separation and the essential relationships between solution composition, organization and dynamics that underlie the kinetic regime of solvent extraction. This included learning how interfacial organization and dynamics alters the properties of the primary coordination sphere of ions and the free energy of transport of ions complexes across a phase boundary. We relied primarily upon classical molecular dynamics studies to determine the equilibrium ensembles of these complex systems, but also utilized ab-initio MD and cluster-based density functional theory (DFT) calculations when more detailed investigation of the electronic structure was needed. We continued development of graph-theory based analyses to elucidate hierarchical correlations and expanded into geometric topology methods to quantify the collectively organized structures that can organize at a liquid/liquid interface during solute transport. One of the main conclusions was from the observation of two distinct mechanisms for solute transport - those that derive from amplifications of interfacial heterogeneity and surface roughness, and those wherein surface roughness has been dampened and instead collectively organized macrostructures work to bring solutes into the organic phase. It was our aim to create a concrete chemical model of the underlying driving forces behind interfacial primary and secondary structure formation and to map out the energetic features of solute transport so that tailored liquid/liquid can be developed that have characteristic kinetic features associated with mass transport.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Advancing Multi-Hazard Risk and Safety Considerations for Aging Nuclear Facilities (Revision 1)

This project will demonstrate a multi-hazard time-dependent probabilistic risk assessment (PRA) approach for nuclear facilities considering aging-related deterioration of structures. A generic pressurized water reactor (PWR) reactor subjected to seismic mainshock-aftershock sequences considering the aging of the containment structure will be used as a case study to demonstrate the multi-hazard PRA approach. Using advanced modeling and simulation, seismic mainshock-aftershock fragility functions will be simulated for the containment structure considering aging effects. A multi-hazard PRA model for a generic PWR reactor will be built to quantify the multi-hazard core damage frequency (CDF) and large early release frequency (LERF) with explicit time-dependent modeling of event sequences. To date, the cascading impacts of multi-hazards are not adequately accounted for in the PRA models for nuclear facilities. In addition, for both initial and periodic evaluation of facilities to withstand natural phenomena hazards (NPH), deterioration of the SSCs due to aging and other effects is not adequately considered. By advancing multi-hazard considerations accounting for aging effects, this project will contribute to improved understanding of the safety of aging nuclear facilities. Project outcomes such as the multi-hazard CDF and LERF will also allow facility owners to optimize upgrade and retrofit protocols. This project is divided into two components: (1) advanced modeling and simulations; and (2) multi-hazard PRA. For the first component, Idaho National Laboratory’s (INL) Multi-hazard Analysis for STOchastic time-DOmaiN phenomena (MASTODON) and BlackBear codes will be used to simulate the seismic response and damage of a containment structure under cascading mainshock-aftershock sequences with aging effects. Uncertainties related to the seismic inputs, material parameters, and environmental factors such as temperature and humidity will be identified and propagated to the fragility functions. These fragility functions, which consider aging effects, will be time dependent. The second component will take the fragility information from the first component to build a multi-hazard time-dependent PRA model starting from a generic PWR model to evaluate the multi-hazard CDF and LERF and characterize the associated consequences. For this component, OpenPRA Web Application and SAPHIRE code will be used. Events such as the Fukushima Daiichi accident have highlighted the importance of considering the cascading impacts of multi-hazards for PRA. Moreover, many of the reactors in the current nuclear fleet in the United States (US) are already operating well beyond their initially planned design life, and applications for further extensions to operating licenses are being considered. Therefore, considering multi-hazard effects and aging deterioration in the NPH risk assessment process will contribute to the safety of both existing and future nuclear facilities. Outcomes of this project will thus directly benefit the standards DOE-STD-1020-16 and DOE-HDBK-1224-18.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1972

A control theoretic model for piloted approach to landing.

Using manned vehicle systems analysis, a model for manual approach to landing is developed. This model is developed and applied in the specific context of a problem of analytical evaluation of a pictorial display for longitudinal control of glide path errors. This makes it possible to discuss the model in concrete terms, and the availability of experimental data provides opportunities for checking the theoretical results obtained.

Kleinman, D. L.↗
DOE OSTI2026

Physics vs structure: A systematic benchmark of learning strategies for multi-zone building thermal dynamics

Recent advances in physics-informed and data-driven machine learning promise improved thermal models for advanced building control, yet there is limited quantitative evidence on when added physics structure and architectural complexity are beneficial. Here, this work presents a systematic benchmark of five representative system identification methods for modeling multi-zone building thermal dynamics: linear state-space models, multi-layer perceptrons, neural state-space models, neural ordinary differential equations, and physically-consistent neural networks. The methods are evaluated across multiple data regimes and zone coupling strategies. Using a high-fidelity multi-zone commercial building emulator, we examine short-term and long-term prediction accuracy, computational efficiency, and ease of development. Our results reveal critical trade-offs between prediction performance, model complexity, and physical consistency. We demonstrate that decoupled, nonlinear black-box models consistently outperform coupled physics-constrained architectures in both predictive accuracy and out-of-distribution robustness in majority of the test cases for the building type considered in the study. Our findings quantify the cost of complexity in building thermal modeling and provide concrete, actionable, scenario-based guidelines for selecting model classes for control-oriented applications.

Building thermal modeling↗
DOE OSTI2021

Geodyn Material Library: Pseudocap models for dry porous tocks

This report describes the second edition of the Pseudocap Strength models for porous rocks implemented in GEODYN material library. The first model was developed in 2007 and calibrated for concrete. Then, the model parameters were calibrated based on triaxial tests reported for limestones and sandstones of various porosities. In these models some key parameters were chosen as functions of the reference porosity,Φ. Since then multiple modifications were implemented in the model, therefore, it has been recalibrated for some common porous materials such as limestones, sandstones, alluvium, tuffs and granite. Two types of models are described in this repot. The first type (called Pseudocap Model or PM) is for rocks from a specific location. Parameters were calibrated for several specific geologic materials. The second type (called Generic Pseudocap Model or GPM) is useful for the sites where only basic information (rock type, porosity) is available. Generic models include built-in correlations between porosities and other mechanical properties observed for certain rock types. The models of both types were validated by comparing not only to quasi-static triaxial tests for these materials but also to shock Hugoniot data and spherical explosion data for some materials. All models were derived in the frame of isotropic plasticity. They are designed to be used in explicit finite element/difference codes. Tangent stiffness tensor is not provided but can be calculated numerically for the model to be used in implicit finite element codes. For an isotropic material the stress can be decomposed into volumetric and deviatoric parts. The volumetric part is modeled using an Equation of state (EOS) which calculates the pressure and the bulk sound speed as functions of the internal specific energy and density. Here a simple, Mie-Gruneisen EOS is presented, but tabulated EOS (LEOS) provided by the library can be used as well. The stress is limited by the yield surface which depends on three invariants of the stress tensor and specific internal energy. In addition, to capture the strain-rate dependence a simple multiplier is used for the yield surface which depends on the equivalent plastic strain rate. The failure surface (the ultimate yield, Y f , defined later) is chosen in the Hoek-Brown form, commonly used in rock mechanics. It includes measurable parameters such as Unconfined Compressive Strength (UCS) as well as scale parameters characterizing the quality of the rock such as GSI (Geologic Strength Index). Thus, even though the model is calibrated for small samples it offers a way to extrapolate the strength to the field scale using geological characterization of the rock mass. The model captures effects of brittle-ductile transition in rocks by introducing a cap multiplier to the yield function. The rate of dilatancy (bulking) is proportional to the slope of the yield surface affected by the cap. Therefore, it takes place only at low confinements when the pressure is less than the brittle-ductile transition pressure, P BD . On the contrary, the porous compaction takes place at pressures higher than P BD . The cap moves as the porosity is compacted or new porosity is generated due to dilatancy. The porous compaction is modeled using an evolution equation which includes deviatoric stress so that the onset of compaction corresponds to the cap surface. The model captures effects of shear-enhanced compaction which is an important for porous rocks. Section 2 describes the modeling framework and Section 3 presents the model calibration procedure. Section 4 compares experimental data for various rocks versus model predictions. The model parameters used for this comparison are given in Appendix. The files with material constants are available with the latest GEODYN material library distribution.

58 GEOSCIENCES↗
NASA NTRS1971

A 640 foot per second impact test of a two foot diameter model nuclear reactor containment system without fracture

An impact test was conducted on an 1142 pound 2 foot diameter sphere model. The purpose of this test was to determine the feasibility of containing the fission products of a mobile reactor in an impact. The model simulated the reactor core, energy absorbing gamma shielding, neutron shielding and the containment vessel. It was impacted against an 18,000 pound reinforced concrete block. The model was significantly deformed and the concrete block demolished. No leaks were detected nor cracks observed in the model after impact.

Puthoff, R. L.↗
DOE OSTI2023

Thermal energy storage in concrete utilizing a thermosiphon heat exchanger

The performance of a lab-scale concrete thermal energy storage (TES) module with a 2-kWh thermal capacity is evaluated at temperatures up to 400 °C. The TES module uses conventional normal weight concrete with thermal and mechanical properties that are tailored for use as a solid thermal energy storage media. A thermosiphon heat exchanger is used to provide rapid heat transfer into the concrete module, which is reinforced with a steel pipe outer shell. The charging and discharging cycles are examined to assess the thermal performance of the concrete and thermosiphon. Based on the results of testing, the thermosiphon is able to repeatably charge the concrete module from 300 to 400 °C over a 4-h period. After 2250 total hours of charge and discharge cycles, there was no observed delamination between the concrete and the thermosiphon or the steel jacket reinforcement. Non-destructive measurements of the concrete indicated no significant degradation of the solid storage media. The experimental results are then used to validate a numerical model of the concrete TES module for parametric study. Finally, varying insulation conditions were analyzed using this model to determine practical configurations for regular operation of the proposed concrete TES module.

25 ENERGY STORAGE↗
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 OSTI2020

Integrating Predictions for Improving Defect Classification Accuracy in NDT-based Assessment of Concrete - 20229

There is an increasing need to create predictive models for defect classification in concrete using the output of non-destructive testing (NDT) techniques. Recent advancement of machine-learning algorithms has offered several techniques for developing classification models for different types of data sets. However, the performance of these algorithms is very uncertain, mainly when applied to small and noisy datasets. For example, when human access is limited (e.g., nuclear facility), robot-based NDT is preferred. But compared to manual tests with humans present on site, the data sets are small, and more noise can exist. Therefore, it is imperative to develop new approaches to ensure a consistently high classification accuracy for inadequate data sets. This study explores the classification performance on NDT dataset using classifiers from different machine-learning algorithms, namely k-Nearest Neighbor (kNN), Decision Tree, Naive Bayes, Logistic Regression, and Support Vector Machine (SVM). The authors further integrated the predictions from these classifiers using proposed methods. The integration strategy combines the output of the classifiers based on two different measures, accuracy, and performance (ACC and PERF), using equations such as sum, average, and square-root-of-sums-of-squares (SRSS). Our results reveal varying classification accuracies across individual classifiers with different misclassifications across the test data set. The integration strategy provided significant improvement in the classification accuracy compared to the individual classifiers. Furthermore, the results indicate minimal variation across the integration methods as compared to the variation across the individual classifiers. To conclude, prediction integration offers a unique approach for combining the output of multiple classifiers to create redundancies with the potential of achieving high classification performance and improved reliability in predictive models for defect detection in concrete. (authors)

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

Microstructural characterization and assessment of mechanical properties of concrete based on combined elemental analysis techniques and Fast-Fourier transform-based simulations

This paper presents a pixel-based modeling approach of concrete which combines an experimental characterization of concrete and the Fast-Fourier transform simulations. High-resolution phase maps created from experimental characterization by micro X-ray fluorescence, energy dispersive X-ray analysis, and X-ray diffraction contain 9 different phases, including 22.17 vol.% of hydrated cement paste, 54.21 vol.% of minerals, and 23.62 vol.% of interfaces. These phases provide the input for determining the effective elastic properties, coupled with Fast-Fourier transform-based simulation. The simulation results show that the effective range of Young’s modulus of concrete is comparable with the range of experimental values ~ 37 ± 4 GPa with the assumption of realistic properties of interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance Comparison of Machine Learning Models for Ultrasonic Nondestructive Evaluation of Alkali-Silica Reaction in Concrete

Alkali-silica reaction (ASR) causes concrete degradation, leading to cracking, rebar corrosion, and reduced structural integrity, which raises safety concerns. Ultrasonic nondestructive evaluation (NDE) effectively assesses concrete properties and monitors ASR progression. However, its deployment and analysis require specialized expertise and subjective interpretation. As computational power increases, artificial intelligence (AI) and machine learning (ML) algorithms are increasingly being used to automate NDE data analysis across various industries for AI-assisted automation. Regulatory agencies are adapting to this technological shift, prompting a need to evaluate current ML technologies’ capabilities and limitations in assessing concrete material properties and damage. This report presents a comparative analysis of four ML regression models for predicting concrete material damage induced by ASR expansion using long-term ultrasonic data monitoring. The models investigated include linear regression (LR), support vector regression (SVR), shallow neural networks (NN), and deep neural networks (DNN). LR, SVR, and shallow NN models use features extracted from ultrasonic signals, whereas the DNN model processes time-domain ultrasonic signals and frequency spectra directly. The study systematically compared the models’ performance from various perspectives, including model input, prediction performance, and generalization ability. The findings indicate significant variability in model performance, with some ML algorithms achieving very high or very low prediction accuracy depending on the preprocessing and feature engineering (extraction and selection) applied. Key insights include the observation that shallow ML models (LR, SVR, and shallow NNs) require meticulous preprocessing and feature extraction to achieve high accuracy. In contrast, the DNN model, although it bypasses the need for feature engineering, necessitates extensive preprocessing to mitigate noise and computational demands. The SVR model emerged as the top performer among the shallow models, and the DNN model exhibited superior performance on specific datasets but struggled with generalization across specimens from different batches. Additionally, the SVR model is sensitive to temperature variations, whereas the DNN model is robust in this regard. Using recurrent neural networks is recommended for future ASR expansion prediction studies. Recurrent neural networks’ inherent ability to capture temporal dependencies and long-term patterns makes them well suited for analyzing sequential ultrasonic monitoring data. Overall, the results and conclusions of this study could provide insights into the capabilities and effectiveness of ML when applied to ultrasonic NDE data and help identify best practices for using ML for ultrasonic NDE of concrete material properties.

36 MATERIALS SCIENCE↗