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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Spherical nanoindentation stress–strain curves

Although indentation experiments have long been used to measure the hardness and Young's modulus, the utility of this technique in analyzing the complete elastic–plastic response of materials under contact loading has only been realized in the past few years – mostly due to recent advances in testing equipment and analysis protocols. This paper provides a timely review of the recent progress made in this respect in extracting meaningful indentation stress–strain curves from the raw datasets measured in instrumented spherical nanoindentation experiments. These indentation stress–strain curves have produced highly reliable estimates of the indentation modulus and the indentation yield strength in the sample, as well as certain aspects of their post-yield behavior, and have been critically validated through numerical simulations using finite element models as well as direct in situ scanning electron microscopy (SEM) measurements on micro-pillars. Much of this recent progress was made possible through the introduction of a new measure of indentation strain and the development of new protocols to locate the effective zero-point of initial contact between the indenter and the sample in the measured datasets. As a result, this has led to an important key advance in this field where it is now possible to reliably identify and analyze the initial loading segment in the indentation experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2012

The Implementation of a Super Mirror Polarizer at the SNS Fundamental Neutron Physics Beamline

A new bender supermirror polarizer is used to polarize the cold neutron beam at the Fundamental Neutron Physics Beamline at the Spallation Neutron Source. We present the design of a compensation magnet that was built around the polarizer to minimize the polarizer fringe fields that could compromise the magnetic field requirements of the NPDGamma experiment for the field uniformity in the spin rotator and the field direction in the liquid hydrogen target located downstream from the polarizer. The entire magnetic field environment of the experiment has been analyzed using a finite-element model. Measurements of the magnetic field gradients and field direction have been carried out and the results are less than the upper limits required in the experiment. According to the results the compensated fields meet the stringent magnetic field requirements of the experiment defined by the systematic errors that have to be well below the statistical uncertainty of 10 8 in our main observable, the gamma asymmetry in neutron capture on hydrogen. We describe the design of the magnetic field, the construction of the compensation magnet, and we compare results of the field measurements with the results from the model.

Balascuta, S.↗
DOE OSTI2012

Thermal evaluation of uranium silicide miniplates irradiated at high heat flux

The Gas Test Loop (GTL)-1 irradiation experiment was conducted in the Advanced Test Reactor (ATR) to assess corrosion performance of proposed booster fuel at heat flux levels ~30% above the design operating condition. Sixteen miniplates fabricated from 25% enriched, high-density (4.8 g U/cm3) U3Si2/Al dispersion fuel with 6061 aluminum cladding were subjected to peak beginning of cycle (BOC) heat fluxes ranging from 411 to 593 W/cm2. No adverse impacts to the miniplates were observed at these high heat flux levels. A detailed finite element model was constructed to calculate temperatures and heat flux for an as-run cycle average effective ATR south lobe power of 25.4 MW(t). Miniplate heat flux levels and fuel, cladding, hydroxide, and coolant–hydroxide interface temperatures were calculated using the average hydroxide thickness on each miniplate measured during post-irradiation examination. The purpose of this study was to obtain a best estimate of the as-run experiment temperatures to aid in establishing acceptable heat flux levels and designing fuel qualification experiments for this fuel type.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Heat transfer optimization of uo 2 -mo fuel using genetic algorithms

Two genetic algorithm (GA) methods were applied to thermal finite element models to optimize the heat transfer efficacy of a UO 2 -Mo composite fuel pellet with typical pressurized water reactor fuel geometry. Mo additions to UO 2 have been shown to increase the thermal conductivity, thus reducing centerline temperatures and temperature gradients. Previous studies evaluated uniformly dispersed Mo or continuous Mo internal geometries (e.g., fins, plates, discs) that were selected using engineering intuition. The current study uses two different implementations of the same GA to optimize Mo placement and minimize the fuel temperature with the only constraint being a maximum 10% Mo volume fraction. One approach superimposed Mo line elements onto the monolithic UO 2 pellet model, and the other converted entire UO 2 volume elements to Mo. The former method generated 1D heat transfer connections between nodes, whereas the latter method allowed for the formation of 3D structures. Features of the optimal fuel design produced by the GAs included dispersed Mo near the centerline that shifted the peak fuel temperature outward by 0.6 mm, Mo chains in the high-heat-flux region in the mid-to-outer radial zone, and a large continuous structure that spanned the full radius and height of the pellet and accounted for 87.7 % of the total Mo in the pellet. Analysis of this design indicates that the optimal Mo configuration is a balance between creating continuous heat transfer pathways and optimally dispersing Mo to minimize the heat transfer distance through UO 2 . This architecture ultimately produced an effective thermal conductivity of 11.3 W/m·K under the assumed boundary conditions. This result is higher than any previous values from the literature. In conclusion, potential fabrication methods and challenges are discussed in addition to the implications on fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Thermoplasticity of metallic glasses: Processing and applications

Owing to their extremely low shear viscosity and fragility, bulk metallic glasses (BMGs) are envisioned as new net-shaping material replacing conventionally used crystalline metals for various applications. The first part of this review describes the general technique and kinetics of thermoplastic forming. The second part elaborates on the thermal processing capability of metallic glasses from atomic- to meter-scale. The micro-/nano-structure obtained after various quenching rates followed by temperature, time and heating rate dependent thermoplastic forming is described in the third section. The deformation behavior and flow kinetics of BMGs in terms of composition, mold features, and applied conditions are elaborated in the fourth section. The variation of volume and enthalpy at the supercooled liquid region, strength retention of metallic glasses compared to other conventional metals and alloys, and kinetics of liquid fragility are given in the fifth section. Finite element modeling and molecular dynamics simulations of high-temperature deformation in BMGs are presented in the sixth part. Finally, thermally-formed BMGs used for different applications, including energy, biomedical and micro-optics, are presented in the final part. Altogether, this review provides an overview of shaping capabilities and modifications in the macro-scale properties and short-to-medium range order of BMGs upon thermoplastic forming.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modal dynamics and flutter analysis of floating offshore vertical axis wind turbines

Floating platforms provide vertical axis wind turbines (VAWTs) significant advantages over offshore horizontal axis wind turbines, which has led to increased research interest in offshore VAWT technology. Here, this paper examines dynamic stability of floating VAWTs and presents structural dynamic and aero-elastic flutter analysis of utility-scale 5 MW floating VAWTs by coupling a rotor finite element model with a linearized model for the floating system. The coupled floating VAWT model is utilized to study the effects of tower height, number of blades, blade tapering scheme, and impacts of the floating platform on modal properties and flutter. The study provides important new results and guidance to floating VAWT designers: (1) tower height increase leads to lower tower frequencies more prone to resonance, (2) by moving from land-based foundations to a floating TLP foundation, tower-mode frequency is increased significantly (by 49%–68%) which mitigates resonance and increases the flutter RPM (154% increase), (3) increasing the number of blades reduces the tower mode frequencies for both land-based and floating configuration, and (4) blade chord tapering can have a significant impact on increasing the tower mode flutter RPM. Further, analysis of low-frequency rigid body modes shows a safe, higher flutter RPM relative to the operating RPM.

17 WIND ENERGY↗
DOE OSTI2021

Clarification of creep deformation mechanism in heat-affected zone of 9Cr steels with In Situ experiments

This work quantified nonuniform creep deformation across the heterogeneous heat-affected zone (HAZ) of Grade 91 steel with sophisticated experiments, including an electric-thermal finite element model–assisted Gleeble thermomechanical simulation and a high-temperature creep testing with in situ digital image correlation (DIC). High temperature creep properties of HAZ sub-zones were quantitatively measured by the DIC. Furthermore, by utilizing peak temperature, hardness, local creep strain, and underlying microstructures, creep deformation mechanisms in HAZ were further understood. DIC measurements reveal a creep-vulnerable zone (CVZ) exposed to a peak temperature of 932°C (close to A C3 ) in the intercritical HAZ experienced the fastest creep strength degradation instead of the soft zone with the lowest hardness prior to creep. The significantly reduced precipitation strengthening from misplacement of undissolved and coarsened M 23 C 6 carbides led to a faster recrystallization of tempered martensite in the CVZ. Weak untransformed tempered martensite (ferrite grains) stabilized by local Cr enrichment from dissolved M 23 C 6 also harmed the CVZ's creep resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Stresses within rare-earth doped yttria-stabilized zirconia thermal barrier coatings from in-situ synchrotron X-ray diffraction at high temperatures

There is a growing interest for smart coatings that can be integrated into turbine engines for in-situ temperature measurements or health monitoring. The addition of rare-earth dopants into standard thermal barrier ceramic top coat materials is used to obtain luminescent coatings that enable spectral measurements, for real-time temperature or health monitoring. The thermomechanical performance and durability of such novel coating compositions in extreme environments still remains to be evaluated. Consequently, the ability to manufacture sensor coatings which present suitable thermal properties needs to be demonstrated. For this study, highly luminescent erbium and europium doped yttria-stabilized zirconia and state-of-the-art yttria-stabilized zirconia coatings manufactured by air plasma spray were characterized to determine the effects of the embedded rareearth dopants on coating internal strain and stress and to quantify and compare their high temperature response using synchrotron X-ray diffraction. In-situ depth-resolved strain measurements were performed at 15 μm intervals along the depth of the coatings to evaluate materials response at key locations, specifically at layer interfaces. In-plane stress was calculated for the coatings and a finite element model was implemented to supplement the results and enable further predictions. The results show that the sensor coatings that were manufactured in this work revealed only minor variations in the strain response of sensor coatings under a typical thermal cycle and especially at temperatures closer to that of gas turbine operating conditions, compared to state-of-the-art coatings. This work demonstrates the viability of manufacturing rare-earth doped yttria-stabilized zirconia coatings that provide beneficial spectroscopic monitoring capabilities while having minimal impact on the thermomechanical response of the thermal barrier coatings.

Air plasma spray↗
DOE OSTI2025

Resonance ultrasound prediction of residual stress within a hybrid layer for additively manufactured samples

Hybrid additive manufacturing (AM) involves secondary processes or energy sources to alter specified locations within the build volume. Each hybrid step can refine the grain size, increase dislocation density, or modify residual stresses. Typically, the changes in mechanical properties are not confined within a single layer but have a compounding effect on preceding layers. Existing methods of measuring AM residual stress are limited in terms of their sensitivity, or they are destructive measurements. We propose using resonant ultrasound spectroscopy (RUS) to measure the residual stress in hybrid-AM components noninvasively, based on changes to the resonances, compared to a stress-free component. In this paper, we use finite element models to simulate residual stress in hybrid-AM components and to examine the sensitivity of RUS measurements in terms of frequency shifts and mode shapes with respect to single hybrid layers. Then, the RUS results are used to predict stress for a layer at a known location with unknown stress. Here, the approach highlights the capabilities of RUS to address an AM characterization challenge.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-mode quasi-static excitation for systems with nonlinear joints

Finite element models can be used to model and predict the hysteresis and energy dissipation exhibited by nonlinear joints in structures. As a result of the nonlinearity, the frequency and damping of a mode is dependent on excitation amplitude, and when the modes remain uncoupled, quasi-static modal analysis has been shown to efficiently predict this behavior. However, in some cases the modes have been observed to couple such that the frequency and damping of one mode is dependent on the amplitude of other modes. To model the interactions between modes, one must integrate the dynamic equations in time, which is several orders of magnitude more expensive than quasi-static analysis. This work explores an alternative where quasi-static forces are applied in the shapes of two or more modes of vibration simultaneously, and the resulting load–displacement curves are used to deduce the effect of other modes on the effective frequency and damping of the mode in question. This methodology is demonstrated on a simple 2D cantilever beam structure with a single bolted joint which exhibits micro-slip nonlinearity over a range of vibration amplitudes. The predicted frequency and damping are compared with those extracted from a few expensive dynamic simulations of the structure, showing that the quasi-static approach produces reasonable albeit highly conservative bounds on the observed dynamics. This framework is also demonstrated on a 3D structure where dynamic simulations are infeasible.

42 ENGINEERING↗
DOE OSTI2018

In Situ Mechanochemical Modulation of Carbon Nanotube Forest Growth

Ordered synthesis of one-dimensional nanostructures, such as carbon nanotubes (CNTs), involves competition between the growth kinetics of individual structures, their physical entanglement, and intermolecular forces that cause coupling of structures in close proximity. Specifically, CNT synthesis by chemical vapor deposition can directly produce films and fibers by providing CNT growth sites in close proximity such that the CNTs self-align into macroscopic assemblies. Because CNTs are mechanically coupled during these processes, the question arises as to whether or not mechanical forces intrinsic to the formation of CNT ensembles influence the growth kinetics and quality of CNTs, as can be expected from fundamental theories of mechanochemistry. Here, we study how mechanical forces influence CNT growth by applying controlled compression to CNT forests in situ; and relate the outcomes quantitatively to the CNT morphology and lengthening rate. We find that applied forces inhibit the self-organization of CNTs into a forest and accelerate the termination of collective growth. By correlating in situ kinetics measurements with spatial mapping of CNT orientation and density by X-ray scattering, we find that the average growth rate of individual CNTs is also mechanically modulated; specifically, a 100-fold increase in force causes a 4-fold decrease in average CNT lengthening rate. Here, we attribute the slower growth kinetics to a stress-dependent increase of 0.02–0.16 eV in the effective activation energy for CNT growth. Via finite element modeling, we conclude that the force magnitudes that cause remodeling of the growing CNT network are less than the average strengths of adhesive contacts between CNTs. Last, we find that CNT growth rate and orientation can respond dynamically to changes in applied force, further demonstrating the mechanochemical nature of CNT growth and suggesting new approaches to control CNT quality and morphology in situ, with general application to other one-dimensional nanostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantifying Size Effects on Thermal Transport in CsPbBr 3 Nanocrystal Films

Colloidal lead halide perovskite nanocrystals (LHP NCs) are promising semiconductor materials for optoelectronic applications due to their strong quantum confinement, near-unity photoluminescence quantum yields, and tunable emission characteristics. However, their modest thermal stability remains a challenge, particularly at smaller core diameters due to enhanced phonon scattering at inorganic core-organic ligand interfaces. In this work, we directly quantify size-dependent thermal conductivity (κ) in lecithin-capped CsPbBr 3 NC thin films using a transducer-free, vibrational pump–visible probe (VPVP) spectroscopy technique. A mid-infrared pump thermally excites the ligand shell, while a broadband probe tracks transient reflectance change correlated to lattice temperature decay. Finite-element modeling of the decay dynamics yields κ values from 0.13 to 0.16 W·m –1 ·K –1 for NC films with sub-10 nm core diameter, significantly lower than those of its bulk counterpart. A steep κ suppression with decreasing NC size emphasizes the dominant role of ligand shells and boundary effects in thermal transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals

Imaging the dynamical response of materials following ultrafast excitation can reveal energy transduction mechanisms and their dissipation pathways, as well as material stability under conditions far from equilibrium. Such dynamical behaviour is challenging to characterize, especially operando at nanoscopic spatiotemporal scales. In this letter, we use x-ray coherent diffractive imaging to show that ultrafast laser excitation of a ZnO nanocrystal induces a rich set of deformation dynamics including characteristic ‘hard’ or inhomogeneous and ‘soft’ or homogeneous modes at different time scales, corresponding respectively to the propagation of acoustic phonons and resonant oscillation of the crystal. By integrating the 3D nanocrystal structure obtained from the ultrafast x-ray measurements with a continuum thermo-electro-mechanical finite element model, we elucidate the deformation mechanisms following laser excitation, in particular, a torsional mode that generates a 50% greater electric potential gradient than that resulting from the flexural mode. Furthermore, understanding of the time-dependence of these mechanisms on ultrafast scales has significant implications for development of new materials for nanoscale power generation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Oxygen Release Induced Chemomechanical Breakdown of Layered Cathode Materials

Chemical and mechanical properties interplay on the nanometric scale and collectively govern the functionalities of battery materials. Understanding the relationship between the two can inform the design of battery materials with optimal chemomechanical properties for long-life lithium batteries. Herein, we report a mechanism of nanoscale mechanical breakdown in layered oxide cathode materials, originating from oxygen release at high states of charge under thermal abuse conditions. Here, we observe that the mechanical breakdown of charged Li 1-x Ni 0.4 Mn 0.4 Co 0.2 O 2 materials proceeds via a two-step pathway involving intergranular and intragranular crack formation. Owing to the oxygen release, sporadic phase transformations from the layered structure to the spinel and/or rocksalt structures introduce local stress, which initiates microcracks along grain boundaries and ultimately leads to the detachment of primary particles; i.e., intergranular crack formation. Furthermore, intragranular cracks (pores and exfoliations) form, likely due to the accumulation of oxygen vacancies and continuous phase transformations at the surfaces of primary particles. Finally, finite element modeling confirms our experimental observation that the crack formation is attributable to formation of oxygen vacancies, oxygen release, and phase transformations. This study is designed to directly observe the chemomechanical behavior of layered oxide cathode materials and provides a chemical basis for strengthening primary and secondary particles by stabilizing the oxygen anions in the lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Formation of the Conducting Filament in TaO x -Resistive Switching Devices by Thermal-Gradient-Induced Cation Accumulation

Here, the distribution of tantalum and oxygen ions in electroformed and/or switched TaO x -based resistive switching devices has been assessed by high-angle annular dark-field microscopy, X-ray energy-dispersive spectroscopy, and electron energy-loss spectroscopy. The experiments have been performed in the plan-view geometry on the cross-bar devices producing elemental distribution maps in the direction perpendicular to the electric field. The maps revealed an accumulation of +20% Ta in the inner part of the filament with a 3.5% Ta-depleted ring around it. The diameter of the entire structure was approximately 100 nm. The distribution of oxygen was uniform with changes, if any, below the detection limit of 5%. We interpret the elemental segregation as due to diffusion driven by the temperature gradient, which in turn is induced by the spontaneous current constriction associated with the negative differential resistance-type I–V characteristics of the as-fabricated metal/oxide/metal structures. A finite-element model was used to evaluate the distribution of temperature in the devices and correlated with the elemental maps. In addition, a fine-scale (~5 nm) intensity contrast was observed within the filament and interpreted as due phase separation of the functional oxide in the two-phase composition region. Understanding the temperature-gradient-induced phenomena is central to the engineering of oxide memory cells.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding Electric Double-Layer Gating Based on Ionic Liquids: from Nanoscale to Macroscale

In electric double-layer transistors (EDLTs), it is well known that the EDL formed by ionic liquids (ILs) can induce an ultrahigh carrier density at the semiconductor surface, compared to solid dielectric. However, the mechanism of device performance is still not fully understood, especially at a molecular level. In this study, we evaluate the gating performance of amorphous indium gallium zinc oxide (a-IGZO) transistor coupled with a series of imidazolium-based ILs, using an approach combining of molecular dynamics simulation and finite element modeling. Results reveal that the EDL with different ion structures could produce inhomogeneous electric fields at the solid–electrolyte interface, and the heterogeneity of electric field-induced charge distributions at semiconductor surface could reduce the electrical conductance of a-IGZO during gating process. Meanwhile, a resistance network analysis was adopted to bridge the nanoscopic data with the macroscopic transfer characteristics of IL-gated transistor, and showed that our theoretical results could well estimate the gating performance of practical devices. Finally, our findings could provide both new concepts and modeling techniques for IL-gated transistors.

36 MATERIALS SCIENCE↗

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