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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Argon broad ion beam sectioning and high resolution scanning electron microscopy imaging of hydrated alite

Highlights: • The native fibrous outer and dense inner C-S-H structure are preserved by using low energy argon broad ion beam sectioning. • Possible artefacts of the preparation and imaging of hydrated alite are shown and discussed. • An approach for a semi automated pore analysis of the obtained high resolution images is demonstrated. Scanning electron microscopy (SEM) imaging is able to visualize micro- to nano-structures of cement and concrete. A prerequisite is that the sample preparation preserves the native structure of the specimen. In this study, argon broad ion beam (BIB) sectioning is compared to state-of-the-art sample preparation (resin embedding, polishing) for hydrated alite. Additionally, it is investigated if during BIB, sample cooling is beneficial to avoid deterioration of cement hydrates. The aim is to quantitatively measure pore size distributions in hardened alite pastes. Therefore, not only optimized sample preparation but also optimized imaging conditions are investigated. Finally, it is demonstrated that by image analysis pores down to a diameter of 5 nm in hydrated alite pastes can be quantitatively analysed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of rice husk ash-derived activator on the structural build-up of alkali activated materials

Highlights: • Filtered and unfiltered sodium silicate solutions were synthesised from RHA. • The dissolution efficiency of RHA in NaOH solution was 76.3%. • RHA-derived activator showed a structural build-up comparable to the commercial activator in AAM pastes. • The undissolved residues in the unfiltered RHA-derived activator increased the yield stress. • Comparable compressive strength and early age gel formation were observed from both commercial and RHA-derived solutions. Waste-derived sodium silicates (SSs) were synthesised from rice husk ash (RHA) to produce alkali activated materials (AAMs) using fly ash and slag as precursors. The effects of these SSs on the structural build-up were investigated by monitoring the evolution of the viscoelasticity, ultrasonic pulse waves, setting time, and infrared spectra. Two types of RHA derived SSs (filtered SS and unfiltered SS) were prepared to investigate the effect of the undissolved residue on the hardening process. The derived SS contained a large portion of monomer silicate species. The results showed that the structural build-up mechanism was comparable between the AAMs activated by the filtered SS and a commercial SS. The unfiltered SS increased the yield stress of the paste by up to 10 times. However, the residues in the unfiltered SS had insignificant impacts on the gel formation and compressive strength when using identical SiO{sub 2}/Na{sub 2}O and Na{sub 2}O/binder ratios in the mix design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extreme sparsification of physics-augmented neural networks for interpretable model discovery in mechanics

Data-driven constitutive modeling with neural networks has received increased interest in recent years due to its ability to easily incorporate physical and mechanistic constraints and to overcome the challenging and time-consuming task of formulating phenomenological constitutive laws that can accurately capture the observed material response. However, even though neural network-based constitutive laws have been shown to generalize proficiently, the generated representations are not easily interpretable due to their high number of trainable parameters. Sparse regression approaches exist that allow for obtaining interpretable expressions, but the user is tasked with creating a library of model forms which by construction limits their expressiveness to the functional forms provided in the libraries. Here, in this work, we propose to train regularized physics-augmented neural network-based constitutive models utilizing a smoothed version of $L^0$-regularization. This aims to maintain the trustworthiness inherited by the physical constraints, but also enables interpretability which has not been possible thus far on any type of machine learning-based constitutive model where model forms were not assumed a priori but were actually discovered. During the training process, the network simultaneously fits the training data and penalizes the number of active parameters, while also ensuring constitutive constraints such as thermodynamic consistency. We show that the method can reliably obtain interpretable and trustworthy constitutive models for compressible and incompressible hyperelasticity, yield functions, and hardening models for elastoplasticity, using synthetic and experimental data. This work aims to set a new paradigm for interpretable machine learning models in the broad area of solid mechanics where low and limited data is available along with prior knowledge of physical constraints that the learned maps need to obey. This paradigm can potentially be extended to a broader spectrum of scientific exploration.

Data-driven constitutive models↗
DOE OSTI2022

Crack width control and mechanical properties of low carbon engineered cementitious composites (ECC)

Engineered Cementitious Composites (ECC) have superior properties with high tensile ductility and tight crack width compared to conventional concrete. The properties of ECC are significantly influenced by the material composition which can be tailored to enhance the sustainability of ECC. Towards this goal, recycled crumb rubber (CR) and silica fume (SF) were used to tailor the properties of a polypropylene-fiber reinforced ECC with a low carbon binder based on limestone calcined clay cement (LC3) in this study. Crumb rubber was found to be effective in enhancing strain-hardening performance and reducing the width of the multiple microcracks. However, a loss of compressive strength was accompanied by an increasing amount of CR. While silica fume or lower w/b ratio enhanced the compressive strength, the crack width of ECC increased at higher SF content or lower w/b. The underlying mechanisms of these trends were traced to the alteration of the matrix fracture toughness and fiber/matrix interfacial bond. Rubber particle bridging was found to contribute to crack width control. Finally, the combined use of the LC3 green binder and CR led to a lowering of the embodied and operational carbon footprint of ECC.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermal and mechanical performance of gypsum composites containing fly ash cenosphere encapsulated phase change materials

Utilizing phase change materials (PCMs) within construction materials improves the thermal energy storage capabilities in the built environment. Notably, integrating PCMs into drywalls presents a promising avenue to reduce building energy use. However, incorporating PCMs into drywalls poses challenges, particularly reduced mechanical properties and workability limitations as it can adversely affect the hardening and cohesiveness of gypsum composites. To address these challenges, this study explores a novel strategy to incorporate PCMs into gypsum composites through fly ash cenosphere-encapsulated PCM, namely CenoPCM, aiming to enhance the mechanical properties and thermal conductivity over existing commercial counterparts. An experimental program was conducted to study the impact of the inclusion of CenoPCM on the mechanical and thermal performance of gypsum composites, and the results were compared to those of commercially available polymerencapsulated PCM benchmark (Micronal). The findings highlighted that PCM-charged samples exhibited up to 95.90 J/g (CenoPCM) of latent heat with 70 % CenoPCM loading. The results of mechanical tests also showed that CenoPCM outperformed its polymer-encapsulated counterpart, achieving 55 % higher mechanical strength on average. Here, this improvement is attributed to the rigid shell of fly ash cenosphere (FAC) serving as a PCM carrier, providing a skeleton-like structure to gypsum composites for higher load-bearing capacity. Additionally, hotbox tests demonstrated that the CenoPCM-charged wall panels yielded a 20 % higher thermal conductivity and a 22 % increased time lag compared to Micronal PCM-charged panels, indicating its potential to shift the peak load in buildings.

Ceno PCM↗
DOE OSTI2024

IASCC of 304 SS in BWR environments: Effects of post-irradiation annealing and surface condition

To investigate the impact of low-temperature post-irradiation annealing (PIA) on the stress corrosion cracking of neutron-irradiated 304 stainless steel, constant extension rate tests were conducted in simulated boiling water reactor normal water chemistry (BWR-NWC) and hydrogenated water chemistry (HWC) environments. Ten tensile samples, comprising five as-irradiated and five PIA specimens, were prepared by electropolishing the gauge section of electric discharge machined (EDM) samples. Here, the annealing treatment reduced the yield strength from approximately 550 MPa to around 425 MPa and significantly restored the ductility and the strain hardening capability of the alloy. Consequently, the susceptibility of this material to irradiation-assisted stress corrosion cracking (IASCC) was effectively mitigated, which is more prominent in HWC, as evident from fractography, which indicated a decreased propensity for intergranular (IG) fracture. Furthermore, it was observed that the polished surface facilitated crack initiation more readily than the EDM surface, suggesting that the EDM process suppressed crack initiation to some extent.

Crack initiation↗
DOE OSTI2021

Determining failure properties of as-received and hydrided unirradiated Zircaloy-4 from ring compression tests

An integrated experimental and computational approach was developed to determine the plastic strain at fracture and to investigate the fracture energy of as-received and hydrided unirradiated Zircaloy-4 nuclear cladding tubes in the hoop direction at room temperature from ring compression testing (RCT). This work builds on previous methods in the literature that were developed to obtain the mechanical properties of nuclear cladding before fracture (Young’s modulus, yield stress, and strain-hardening parameters) from experimental RCT results and extends the characterization of this material class to include material failure properties. Furthermore, a ductile damage approach was developed and implemented in a validated finite element model to predict material failure, evaluate fracture energy, and quantify the plastic strain at fracture initiation. The hydrogen content of the Zircaloy-4 specimens was varied up to 610 wppm when the failure became brittle. As expected, increasing hydrogen content caused embrittlement of the Zircaloy-4 samples tested and the plastic strain at fracture and fracture energy to decrease.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Variational data augmentation for a learning-based granular predictive model of power outages

As the trend in climate change continues, extreme weather events are expected to occur with increasing frequency and severity and pose a significant threat to the electric power infrastructure. Regardless of the efforts a utility puts towards hardening the grid, storm-induced damage to the utility assets such as cables and distributed energy resources (DERs) that are particularly vulnerable to such events is unavoidable. Access to a highly granular, in space and time, outage forecasting tool with long lead times (i.e., days ahead) will enhance the efficiency of service restoration efforts. Here, in this study, we propose to develop and implement a multi-model framework as an operational tool based on a granular and multi-day outage forecasting model using operational numerical weather prediction model forecasts and detailed component outage information. An innovative two-layered recurrent neural network, i.e., a long-short-term-memory (LSTM)-based variational autoencoder (VAE) framework and a sliding window are used to address the uneven distribution of different types of weather events and make better use of the time-series data. Case studies are performed to demonstrate the performance of the new framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Nuclear response of additive manufactured GRCop-84 copper for use in Lower hybrid launchers in a fusion environment

Recent advances in selective laser melting (SLM) 3D printing technology allow additive manufacture of lower hybrid current drive (LHCD) RF launchers from a new material, Glenn Research Copper 84 (GRCop-84), a Cr 2 Nb (8 at. % Cr, 4 at. % Nb) precipitation hardened alloy, in configurations unachievable with conventional machining. Tensile strength and thermal conductivity are compared to other competing high conductivity copper alloys for fusion use. Swelling and conductivity at 100 DPA when exposed to the Hanford Fast Flux Test Facility neutron spectrum is predicted in the 1–2 % and 65-70% IACS range, respectively, by comparison to copper alloys with similar precipitate and grain size. Finally, self-similar ion irradiation of a GRCop-84 target at 430 °C to 20 DPA resulted in no noticeable void formation in FIB cross sections or TEM lamella.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Brazing characteristics, microstructure, and wettability of laser powder bed fusion additive manufactured GRCop-84 compared to CuCrZr and OFC, and brazing to titanium-zirconium-molybdenum alloy limiters

Laser Powder Bed Fusion (L-PBF) of Glenn Research Copper 84 (GRCop-84), a Cr 2 Nb (8 at. % Cr, 4 at. % Nb) precipitation hardened alloy, produces a fully dense, high conductivity alloy with a yield strength of 500 MPa and ultimate tensile strength (UTS) of 740 MPa with 20% elongation; superior to other competing copper alloys. Braze wetting characteristics of GRCop-84 with Ag-Cu-X, and Au-Cu brazes were similar to CuCrZr, but less than oxygen free copper. No difference in wetting was observed between infill and surface contour areas in L-PBF GRCop-84. Wet sanding to 240 grit (R a =0.24 µm) was considered the optimal surface condition. Silver diffusing through GRCop-84 depleted Cr 2 Nb precipitates from the copper grain and deposited agglomerations of coarsened precipitates within silver-rich regions of intergranular diffusion once a density threshold was reached. Microstructure modification was minimized with 50Au-50Cu braze implying that silver caused precipitate coarsening and agglomeration, and not high temperature exposure. Coarsened precipitates were observed on the surface within braze pools implying a contribution to braze wetting. Palcusil-25, Ticusil, CuSil-ABA, and 50Au-50Cu brazes were suitable for brazing to unplated Titanium-Zirconium-Molybdenum (TZM), while sulfamate nickel plating to allows wetting with CuSil or other non-active brazes. Additionally, vacuum brazing techniques were developed to join a 1 mm thick layer of TZM to the front of additive manufactured GRCop-84 waveguides considering the brazing characteristics of both GRCop-84, TZM, and internal stress from the difference in coefficient in thermal expansion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Steady state thermo-mechanics and material property definition framework for analyzing DCLL blanket in the fusion nuclear science facility

In this work, a thermo-mechanics model that relies on creating the material property definition framework (MPDF) and multiphysics coupling of the heat transfer and the solid mechanics modules is developed to determine the structural integrity of the recently designed dual cooled lead lithium (DCLL) inboard blanket (IB) for the Fusion Nuclear Science Facility under steady state loads. The MPDF is called to supply fusion relevant neutron irradiation and temperature induced changes in material properties during multiphysics finite element runs, and PbLi temperature profiles are used to approximate Magnetohydrodynamics effect and the nuclear volumetric heating on the PbLi. Neutron irradiation and temperature induced reduction of the yield and ultimate strengths of F82H steel at the first wall (FW) are quantified for one year. A blanket in an assembly with gaps between blanket sectors and another blanket in an assembly with no gaps between blanket sectors, both exposed to radiation damage that lasted for one year are analyzed. Analysis using the elastic ITER structural design criteria for in-vessel components (ITER SDC-IC) design rules and a linear isotropic-hardening-type elastoplastic material model are used where most appropriate. The IB blanket with gaps between blanket sectors will withstand the steady state combined thermal and coolant loads for one year operational period but will fail if no gaps are allowed between blanket sectors. It is recommended that a gap of about 7.62 mm should be provided between IB blanket sectors during assembly which would close up during service, stop neutron streaming, reduce stresses and reduce bending of the FW into the scrape-off layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A tri-level optimization model for interdependent infrastructure network resilience against compound hazard events

Resilient operation of interdependent infrastructures against compound hazard events is essential for maintaining societal well-being. To address consequence assessment challenges in this problem space, we propose a novel policy-guided tri-level optimization model applied to a proof-of-concept case study with fuel distribution and transportation networks – encompassing one realistic network; one fictitious, yet realistic network; as well as networks drawn from three synthetic distributions. Mathematically, our approach takes the form of a defender-attacker-defender (DAD) model—a multi-agent tri-level optimization, comprised of a defender, attacker, and an operator acting in sequence. Here, in this study, our notional operator may choose proxy actions to operate an interdependent system comprised of fuel terminals and gas stations (functioning as supplies) and a transportation network with traffic flow (functioning as demand) to minimize unmet demand at gas stations. A notional attacker aims to hypothetically disrupt normal operations by reducing supply at the supply terminals, and the notional defender aims to identify best proxy defense policy options which include hardening supply terminals or allowing alternative distribution methods such as trucking reserve supplies. We solve our DAD formulation at a metropolitan scale and present practical defense policy insights against hypothetical compound hazards. We demonstrate the generalizability of our framework by presenting results for a realistic network; a fictitious, yet realistic network; as well as for three networks drawn from synthetic distributions. Additionally, we demonstrate the scalability of the framework by investigating runtime performance as a function of the network size. Steps for future research are also discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Experimental verification of a crystal plasticity-based simulation framework for predicting microstructure and geometric shape changes: Application to bending and Taylor impact testing of Zr

This paper is concerned with experimental verification of a recently developed multi-scale simulation framework for plastic deformation of metallic materials from quasi-static to impact deformation conditions. The framework is a visco-plastic self-consistent (VPSC) polycrystalline model embedded in an implicit finite element method (FE-VPSC) to provide a microstructure-sensitive constitutive response at each material point. Each material point of the FEM model is a polycrystalline aggregate with crystallographic deformation mechanisms operating at the single crystal scale with their evolving activity based on a dislocation density-based hardening law and texture. Four beams and three cylinders machined in different orientations from a textured plate of high-purity zirconium are tested quasi-statically in 4-point bending and at speeds of 100 m/s, 170 m/s and 243 m/s during Taylor impact tests, respectively. The variation in dimensional changes resulting from different sample orientations in the plate with respect to loading directions is measured for each sample. Moreover, texture and twinning characterization is performed using electron backscattered diffraction (EBSD). The deformation processes and underlying evolution of microstructure are successfully simulated using the FE-VPSC framework. In doing so, the model parameters are optimized and validated across a broad range of strain rates and temperatures. Simulation results in terms of geometrical changes and microstructural evolution are compared with the experimental measurements. The model predicts anisotropic material flow resulting from the hard-to-deform crystallographic directions, the development of gradients in texture and twinning through the geometries, tension–compression asymmetry, as well as the extent of plasticity under impact.

42 ENGINEERING↗
DOE OSTI2020

Assessment of reverse gun taylor cylinder experimental configuration

Experimental efforts for Taylor-anvil impact tests have often been limited to near room temperature. The ‘Reverse Gun’ method proposed by Gust in 1982 allows for the Taylor impact specimen to be uniformly heated without temperature losses before impact. Through the use of finite element analysis, we explore two topics in this work. First, we examine whether the reverse gun experimental configuration is comparable to the traditional Taylor-anvil setup. Second, we assess the accuracy of several commonly employed flow strength models in terms of their ability to predict the reverse gun experimental results which involve dynamic loading conditions and complex thermo-mechanical coupling. The reverse gun simulations are performed for tantalum targets at initial temperatures in the range 295 K to 1295 K and velocities from 135 m/s to 242 m/s. We show that with suitable care in the modeling of the preheated reverse gun experiments one can make valuable assessments of flow strength models. Given the conditions explored, these observations probe the thermal softening, strain hardening, and strain rate sensitivity of the material.

42 ENGINEERING↗
DOE OSTI2022

Dual-scale folding in cutting of commercially pure aluminum alloys

We examine a, hitherto, little-studied and curious machining chip morphology, with tell-tale signs of folding at two different length scales, that is common in cutting of certain ductile and highly strain-hardening metals like soft aluminum alloys, tantalum and niobium. This chip morphology does not appear in the usual catalogues of common chip types. The mechanics of formation of the “dual-scale folded chip” is studied in model material systems of commercially pure aluminum alloys (AA 1100 and AA 8040), that prominently exhibit this chip morphology. The flow, folding and associated plastic instabilities are investigated using micro/macro structure observations of the chip in a plane-strain cutting framework, with high-speed in situ imaging and image analysis of material flow; and force measurements. The smaller-scale folding is shown to develop in the primary deformation zone while the larger-scale folding occurs as the chip traverses the rake face of the tool. The resulting chip is composed of irregularly-spaced large folds, superimposed onto which are the quasi periodic small folds. The representative wavelengths of the two folds differ on average by an order of magnitude, 0.1 mm vs. 2 mm. The observations reveal a direct coupling between the material flow and chip morphology, and how specific attributes of the dual-scale folded chip arise from the flow mechanism. Plastic buckling is found to play a key role in the folding at both length scales. The small-scale folds are characteristic of a sinuous plastic flow mode, while the large-scale folding is characterized by buckling and stick-slip along the tool rake face, triggered by adhesive pinning of the chip to the tool. Important consequences of the dualscale folding are very large cutting forces, and force oscillations of large amplitude, despite the alloys being very soft, only ~ 25 HV. Here, the dual-scale folding is why many of these alloys are classified as “gummy” to machine. Since the dual-scale folded chip is associated with large cutting forces and poor surface quality, there is much to be gained by disrupting this flow type in practical machining applications. Methods for controlling the folding to improve machining performance with the gummy alloys are briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Constitutive modeling of δ-phase zircaloy hydride based on strain rate dependent nanoindentation and nano-scale impact dataset

In this work, a constitutive model for zircaloy-4 embedded with δ-phase hydride rim/blister structures (δ-phase zircaloy hydride) is presented. Nanoindentation and nano-scale impact experiments were performed on the δ-hydride blisters as a function of temperature in order to obtain strain rate dependent location specific constitutive response. A power law viscoplastic constitutive model was chosen to represent the strain rate dependent behavior. The strength coefficient and the strain hardening exponent in the power law relation were found to decrease with increase in temperature indicating softening behavior at higher temperatures. The strain rate exponent remained constant with increase in temperature indicating that the rate dependent ductility does not change significantly at higher temperatures. A finite element method based model was created to analyze the failure behavior and the ductile to brittle transition in zircaloy hydride. The model predicted that fracture strength of δ-phase zircaloy hydride decreases linearly with increase in temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discrete stochastic model of point defect-dislocation interaction for simulating dislocation climb

Dislocation climb is an important high temperature process in metals plasticity, responsible for the phenomena such as creep, swelling, or hardening. Climb is defined by the ability of dislocations to leave their original glide plane by interacting with point defects. As such, dislocation climb is controlled by point defect diffusion/absorption/emission, all of which involve thermal activation. The existing thermodynamically consistent models for climb are generally formulated in a continuum framework, through the definition of effective defect fluxes and climb propensities in response to thermodynamic driving forces. However, the point-wise discrete nature of vacancies (and/or self-interstitials) confers a highly discrete nature to the climb dynamics, which is also strongly affected by elastic forces. The combination of discreteness, thermal activation, and elasticity makes this process too challenging for direct atomistic methods such as molecular dynamics. Here we develop a kinetic Monte Carlo model that captures vacancy generation and transport kinetics acting in conjuction with the evolving elastic fields provided by discrete dislocation dynamics simulations. The two models are coupled via the applied stresses and stress gradients generated by dislocation structures at vacancy locations. Our simulations reveal two surprising results. First that climb is dominated by vacancy emission even when the background vacancy concentration is much higher than the equilibrium one. And, second, that climb velocities might be much faster than otherwise believed when one uses the classical theories of climb. These effects are due to the locality of vacancy-dislocation processes, which are not captured in classical treatments that assume smooth vacancy fluxes and homogeneous concentrations. We apply the method to study elementary climb processes in body-centered cubic iron and furnish climb mobility functions to be used in parametric dislocation dynamics and/or crystal plasticity simulations. Here, we apply the technique to study non-conservative plastic bypass of spherical precipitates by edge dislocations and point out the differences between our discrete approach and existing continuum formulations.

36 MATERIALS SCIENCE↗