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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Softening Behavior of Electron Beam Welded 22SiMn2TiB Steel

Softening behavior occurs in heat-affected zone of many types of high strength steels causing the deterioration of mechanical properties. In this study, the softening behavior of 22SiMn2TiB joint was revealed by experimental and numerical analysis. The microstructure and hardness of the joint were tested and analyzed. The numerical simulations of the temperature field were carried out to obtain the thermal cycle. Based on the continuous cooling transformation diagram, the phase transformation was investigated. The results indicated that the microhardness in the HAZ was significantly decreased, and its minimum value was 273 HV which was 63.5% of base metal. The softening behavior occurs in intermediate critical heat-affected zone and the subcritical heat-affected zone, and its peak temperature is between 853.7 °C (Ac{sub 3}) and 450 °C. When 22SiMn2TiB steel was heated above 732.3 °C (Ac{sub 1}), martensite begins to transform into austenite. With different cooling rates, austenite may transform into martensite, bainite and ferrite, and the volume fraction of soft phases could increase resulting in the softening. When the peak temperature is between 732.3 and 450 °C, the recovery phenomenon and the decomposition of martensite caused softening with the decrease in the dislocation density and martensite.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Modified Johnson–Cook Constitutive Model for the Compressive Flow Behaviors of the SnSbCu Alloy at High Strain Rates

The SnSbCu alloy is widely used as the material for the main bearing in low-speed marine engines, and an accurate constitutive model is the foundation for studying the frictional behaviors of bearings. In this work, the compressive flow behaviors of the SnSbCu alloy were considered under the different strain rates (1000-5000 s{sup −1}) and temperatures (20-110 °C) by quasi-static and split-Hopkinson pressure bar dynamic compression tests. First, the original Johnson–Cook model was used to describe the constitutive relation of the SnSbCu alloy at high strain rates, and the results predicted by the original model showed relatively large errors compared with the experimental results since the coupled effect of temperature and strain rate was omitted. Then, a modified Johnson–Cook constitutive model was developed to describe the compressive flow behaviors of the SnSbCu alloy, and the results predicted by this modified model agreed well with the experimental data. Moreover, a finite element analysis was also conducted to verify the accuracy of the modified Johnson–Cook model.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dilation Behavior of Thermal Spray Coatings

The thermal expansion of a thermally sprayed coating material is an important design-relevant property from both processing and application service points of view. High thermal stresses and residual strains can arise during deposition, and thermal exposure in service. The linkage to process conditions which can impact both physical and chemical attributes of the microstructure and consequently its expansion behavior is of great importance. The observed dilation response of various coatings is discussed based on the processing effects that induce differences in microstructural features and the impact of residual strain and annealing of defects on the dilation behavior during first thermal exposure. The coefficient of thermal expansion (CTE) of coatings was found to approach the bulk when the material is not sensitive to oxidation in-flight. For those materials sensitive to oxidation, mathematical models used to describe effective properties of composite materials were adopted to describe the CTE property. A large irreversible dilation change was found in the first heating cycle due to defect annealing (referred to as thermal shakedown). Several reasons are hypothesized for the magnitude of such dilation change. Finally, together, the paper presents a comprehensive analysis of thermal expansion behavior of a diversity of thermal spray processed materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The combined effects of hydrogen and aging condition on the deformation and fracture behavior of a precipitation-hardened nickel-base superalloy

The effect of hydrogen (H) on the deformation behavior of Monel K-500 in various isothermal heat treatment conditions (non-aged, under-aged, peak-aged, and over-aged) was assessed via uniaxial mechanical testing. H-charged and non-charged specimens were strained to failure to facilitate a comparison of ductility, fracture surface morphology, strength, and work hardening behavior. For all examined heat treatment conditions, H charging leads to a significant reduction in ductility, which is accompanied by a consistent change in fracture surface morphology from ductile microvoid coalescence to brittle intergranular fracture. While H charging led to a systematic enhancement in the yield strength of all heat treatments, the three age-hardened conditions exhibited a more than 2-fold increase relative to the non-aged heat treatment. This suggests that H modifies the dislocation–precipitate interactions, which also manifest themselves through changes in work hardening metrics related to the dislocation storage and recovery rates. In particular, the H-charged peak-aged specimen exhibited a significant increase in initial hardening (dislocation storage) rate relative to the H-charged under-aged specimen. Transmission electron microscopy of these samples revealed the onset of widespread dislocation looping in the H-charged peak-aged sample, in addition to the planar slip bands characteristic of the non-charged condition. This result suggests that hydrogen induces the particle shearing-to-looping transition at smaller particle sizes. Possible mechanistic explanations for this observed behavior are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating the grain-scale deformation behavior of a single-phase FCC high entropy alloy using synchrotron high energy diffraction microscopy

We report although the deformation behavior of high-entropy alloys (HEAs) has been extensively studied at the macroscale, many important properties have yet to be explored for these alloys at the microscale, thus hampering accurate prediction of damage and failure processes. Synchrotron high-energy diffraction microscopy (HEDM) and fast-Fourier transform-based crystal plasticity modeling was conducted to investigate the three-dimensional (3D) grain-resolved micromechanical response for approximately 1,900 constituent grains within a single-phase FCC HEA up to 1% applied strain. The evolution of grain-resolved elastic strains, lattice reorientations, and maximum resolved shear stresses (mRSS) were evaluated to quantify elastic, yield, and fully plastic behavior. Overall, the initial critical resolved shear stress (CRSS), determined via in situ HEDM and companion modeling, was found to be > 20% higher than estimated using the classical polycrystalline Taylor factor (M = 3.06). However, a descriptive parameter based on the average grain-resolved Taylor factor ($\overline{M}$) was found to show excellent agreement with plastic yielding behavior observed within HEDM datasets. Noticeable deviations in HEDM lattice reorientations compared to both EVP-FFT simulations and classical predictions for FCC polycrystals were discovered, highlighting the complexity in correlating local lattice reorientations, Taylor, and Schmid factors with plastic response for this material at the grain-scale. Therefore, it is anticipated that the overall trends and parameter identification of 3D grain-resolved properties in this study can serve as an important foundation for continued mesoscale investigation on both well-established and newly developed Cantor-like HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deformation and fracture behavior of a laser powder bed fusion processed stainless steel: In situ synchrotron x-ray computed microtomography study

Tensile plastic deformation and fracture behavior of a laser powder bed fusion processed 316L stainless steel alloy was investigated in situ using high-resolution synchrotron x-ray computed microtomography (sXCT). Three different cases were studied: (1) specimen A1, near full-density with initial porosity of 0.04%, (2) specimen B1, initial lack-of-fusion (LOF) porosity of about 3% with the major axis of defects aligned nearly perpendicular to the tensile loading direction (LD), and (3) specimen B, similar to B1 but with the major axis of LOF defects aligned nearly parallel to LD. The effects of type, density, and orientation of defects in as-printed samples on plastic deformation and failure modes were studied by analyzing sXCT image sequences and quantitative defect properties. Specifically, the evolutions of porosity, size, aspect ratio, and angle of gas pores and LOF defects were characterized as a function of applied strain. Moreover, interactions between as-printed defects and deformation-induced crack propagation were investigated. The tensile behavior of specimen A1 was comparable to that of a commercial wrought plate. Furthermore, the quantitative in-situ sXCT results showed a void-growth phenomenon in A1 but without noticeable coalescence, resulting in a ductile cup-cone failure. Specimen B1 showed damage-driven brittle failure with limited plasticity due to early and rapid propagation of open voids. On the other hand, specimen B, with a similar amount of LOF defects as B1, showed deceivingly strong and ductile tensile behavior similar to A1 without any major crack propagations due to the favorable orientation relationship between LOF defects and the LD.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A sensitivity analysis to predict the neutronics behavior of samples irradiated in the VTR rabbit system

We report a low-order neutronics model is developed to carry out hundreds of simulations efficiently and investigate the neutronics behavior of samples being irradiated in a test reactor setting under different geometrical constraints. The low-order model allowed for simulations that yield the expected neutronics behavior of any irradiated sample in any environment and allows for the calculation of highly accurate spatially averaged statistics and idealized spatial distributions in the neutron flux. Several benchmarks are performed to evaluate the performance and limitations of the low-order model revealing many important findings. The low-order model predicted the LHGR in the EBR-II driver fuel to within 2.34% by only simulating the fuel rod by itself, which served as a validation for the model. Sensitivity studies investigated 3% enriched UO 2 and U-10Zr being irradiated in the Versatile Test Reactor rabbit system. The analyses investigated a range of combinations of 15 radii and 5 heights for each sample in the rabbit system. Similar data sets are also provided for irradiations in the Advanced Test Reactor’s B-10 irradiation position, which is a thermal neutron spectrum environment. Generalized fits and fit coefficients are obtained for sample heating, reaction rate densities, and local multiplication rate characteristics, allowing the predictions of the neutronics behavior of the samples based on their geometrical constraints. The analyses and fits laid the groundwork for developing a user-end Multiphysics analysis framework to assist and accelerate irradiation experiment design and optimization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Leucokinin signaling regulates hunger–driven reduction of behavioral responses to noxious heat in Drosophila

Highlights: • Hunger has a significant impact on sensory systems or brain functions in Drosophila. • It remains unclarified whether hunger affects behavioral responses to heat stimuli. • Food deprivation reduced the responses to noxious heat in wild-type flies. • Leucokinin signaling was essential for the reduction of responses to noxious heat. In the fruitfly Drosophila melanogaster, hunger has a significant impact on its sensory systems and brain functions, and consequently modifies related behaviors. However, it remains unclarified whether hunger affects nociceptive behavioral responses to heat stimuli. In this study, we show that food deprivation reduces responses to noxious heat in wild–type flies. We further identified that the neuropeptide Leucokinin (Lk) and its receptor (Lkr) are essential for the reduction of responses to noxious heat. Temporal silencing of Lk–expressing neurons and a knockout mutation of Lkr generated using the CRISPR/Cas9 system inhibited the reduction of responses to noxious heat. Thus, our results reveal that hunger induces reduction of responses to noxious heat through the Lk/Lkr signaling pathway in Drosophila.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Computational design of microscopic swimmers and capsules: From directed motion to collective behavior

Systems of motile microscopic particles can exhibit behaviors that resemble those of living microorganisms, including cooperative motion, self-organization, and adaptability to changing environments. Using mesoscale computational modeling, we design synthetic microswimmers and microcapsules that undergo controllable, self-propelled motion in solution. Stimuli-responsive hydrogels are used to actuate the microswimmers and to enable their navigation and chemotaxing behavior. The self-propelled motion of microcapsules on solid surfaces is achieved by the release of encapsulated solutes that alter the surface adhesiveness. These signaling solutes also enable interactions among multiple microcapsules that lead to complex, cooperative behavior. Our findings provide guidelines for creating microscopic devices and machines able to autonomously move and mimic the communication and chemotaxis of biological microorganisms.

42 ENGINEERING↗
DOE OSTI2018

Exploring the negative temperature coefficient behavior of acetaldehyde based on detailed intermediate measurements in a jet-stirred reactor

Acetaldehyde is an observed emission species and a key intermediate produced during the combustion and low-temperature oxidation of fossil and bio-derived fuels. Investigations into the low-temperature oxidation chemistry of acetaldehyde are essential to develop a better core mechanism and to better understand auto-ignition and cool flame phenomena. In this paper, the oxidation of acetaldehyde was studied at low-temperatures (528–946 K) in a jet-stirred reactor (JSR) with the corrected residence time of 2.7 s at 700 Torr. This work describes a detailed set of experimental results that capture the negative temperature coefficient (NTC) behavior in the low-temperature oxidation of acetaldehyde. The mole fractions of 28 species were measured as functions of the temperature by employing a vacuum ultra-violet photoionization molecular-beam mass spectrometer. To explain the observed NTC behavior, an updated mechanism was proposed, which well reproduces the concentration profiles of many observed peroxide intermediates. Finally, the kinetic analysis based on the updated mechanism reveals that the NTC behavior of acetaldehyde oxidation is caused by the competition between the O 2 -addition to and the decomposition of the CH 3 CO radical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effects of organic silicon compounds on syngas auto-ignition behavior

Siloxanes are a significant impurity in syngas feedstocks and an important source of silicon in combustion synthesis applications. However, little is known regarding the fundamental combustion chemistry of siloxane compounds. The impact of two organic silicon species with different but related chemical structures, trimethylsilanol (TMSO) and hexamethyldisiloxane (HMDSO), on syngas auto-ignition behavior was investigated in this study using physical and computational experiments. A rapid compression facility (RCF) was used to create temperatures of 1010–1070 K and pressures of 8–10.3 atm for auto-ignition experiments. Experiments with trace concentrations of TMSO (100 ppm, mole basis) or HMDSO (100 ppm) were added to a surrogate syngas blend (CO and H 2 with a molar ratio of 2.34:1, air levels of dilution, with molar equivalence ratios of Φ = 0.1). The measured ignition delay times showed both siloxane species promote ignition behavior with TMSO yielding faster ignition delay times by approximately 37% and HMDSO yielding faster times by approximately 50% compared with the reference syngas mixture which contained no siloxanes. A computational study was conducted to interpret the results of the ignition experiments. Due to the fact that detailed chemistry does not exist for these organo-silicon compounds, the effects of the addition of CH 3 , H, and OH radicals to H 2 and CO mixtures were explored to simulate the potential rapid decomposition of the siloxanes in the H 2 and CO system. Addition of the radicals decreased the predicted ignition delay times when compared with the H 2 and CO mixture simulations without the radical species, but the simulations did not fully capture the behavior observed in the experiments, indicating the siloxane chemistry is more complex than providing a rapid source of radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Autoignition behavior of gasoline/ethanol blends at engine-relevant conditions

Ethanol is an attractive oxygenate increasingly used for blending with petroleum-derived gasoline yielding beneficial combustion and emissions behavior for a range of internal combustion engine schemes, including stoichiometric spark-ignition and low temperature combustion (LTC). As such, it is important to fundamentally understand the autoignition behavior of gasoline/ethanol blends. This work utilizes a rapid compression machine (RCM) and a homogeneous charge compression ignition (HCCI) engine to experimentally quantify changes in fuel reactivity, through ignition delay times and preliminary heat release, for blends of 0 to 30% vol./vol. into a full boiling range research gasoline (FACE-F). Diluted/stoichiometric and undiluted/fuel-lean conditions are explored covering a wide range of compressed temperatures and pressures relevant to conventional and advanced, gasoline combustion engines. Detailed chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model in conjunction with a five-component surrogate to model the RCM experiments and provide chemical insight into the perturbative effects of ethanol on the autoignition process. The diluted/stoichiometric RCM measurements reveal that within the low-temperature regime ethanol retards first-stage and main ignition delay times, and suppresses both the rates and extents of low-temperature heat release (LTHR), while within the intermediate-temperature regime ethanol only causes slight changes. Good agreement of ignition delay time and preliminary heat release prediction is found between model and experimental results. Sensitivity and flux analyses further show that ethanol blending effects are dominated by the competition between the H-atom abstraction from ethanol and other fuel components by OH radical at low temperatures and by HO 2 radical at intermediate temperatures. These findings are consistent across both fuel loading conditions explored in this study. In addition, when HCCI engine experiments are mapped onto undiluted/lean RCM measurements under a constant combustion phasing scenario, good correspondence between the two apparatuses is observed for LTHR and start of high-temperature heat release. Finally, the current study highlights the importance of characterizing LTHR in predicting fuel behaviors in high-boost/low-temperature engines, and demonstrates that RCM experiments can provide an alternative, and more-efficient avenue for such characterization.

02 PETROLEUM↗
DOE OSTI2017

Phase-field modeling of void anisotropic growth behavior in irradiated zirconium

A three-dimensional (3D) phase field model was developed to study the effects of surface energy and diffusivity anisotropy on void growth behavior in irradiated Zr. The gamma surface energy function, which is used in the phase field model, was developed with the surface energy anisotropy calculated from the molecular dynamics (MD) simulations. It is assumed that vacancies have much larger mobility in c-axis than a- and b- axes while interstitials have much larger mobility in basal plane then that in c-axis. With the model, the equilibrium void morphology and the effect of defect concentrations and defect mobility anisotropy on void growth behavior were simulated. The simulations demonstrated that 1) The developed phase-field model can correctly reproduce the faceted void morphology predicted by the Wullf construction. 2) With isotropic diffusivity the void prefers to grow on the basal plane. 3) When the vacancy has large mobility along c-axis and interstitial has a large mobility on the basal plane of hexagonal closed packed (hcp) Zr alloys a platelet void grows in c-direction and shrinks on the basal plane, which is in agreement with the experimental observation of void growth behavior in irradiated Zr.

36 MATERIALS SCIENCE↗
DOE OSTI2024

From anti-Arrhenius to Arrhenius behavior in a dislocation-obstacle bypass: Atomistic simulations and theoretical investigation

Dislocations are the primary carriers of plasticity in metallic materials. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe a transition from non-Arrhenius to Arrhenius behavior in the rate of an edge dislocation overcoming the long-range elastic interaction with a prismatic loop in tungsten. Close to the critical resolved shear stress, the process shows a non-Arrhenius behavior at low temperatures. However, as the temperature increases, the activation entropy starts to dominate, leading to a traditional Arrhenius-like behavior. Here, we have computed the activation entropy analytically along the minimum energy path following Schoeck’s method, which captures the cross-over between anti-Arrhenius and Arrhenius domains. Also, the Projected Average Force Integrator (PAFI), another simulation method to compute free energies along an initial transition path, exhibits considerable concurrence with Schoeck’s formalism. We conclude that entropic effects need to be considered to understand processes involving dislocations bypassing elastic barriers close to the critical resolved shear stress. More work needs to be performed to fully understand the discrepancies between Schoeck’s and PAFI compared to molecular dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High-fidelity micro-scale modeling of the thermo-visco-plastic behavior of carbon fiber polymer matrix composites

An experimentally validated micro-scale analysis of the visco-thermo-mechanical behavior of polymer matrix composites under different loads is proposed. A new constitutive law for the matrix material is developed taking into account the pressure dependence of the material as well as strain-rate and temperature dependence. Capturing the matrix behavior under multi-axial stress states is concluded to be essential to accurately predict the composite material behavior, even when considering simple load cases such as transverse compression and/or shear. Without any calibration procedure at the composite level, good agreement with the experimental data is observed for different loading conditions, including strain-rate dependency. Using this validated micro-scale model, a three-dimensional simulation of the formation of a kink band under longitudinal compression of the composite is conducted. A new evidence at micro-scale is found supporting the hypothesis that shear stresses transferred between fibers and matrix are particularly important in the formation of the kink band.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dynamic mechanical behavior of lithium-ion pouch cells subjected to high-velocity impact

With broad-scale deployment of lithium-ion batteries, mechanical-abuse induced failure events such as short circuits and thermal runaway have made safety a focus of attention in battery design. Most previous studies have focused on quasi-static and low-velocity impact analyses, which could not represent the mechanical behavior of lithium-ion batteries in realistic situations. Here we report a combined experimental and computational study on the dynamic response of lithium-ion pouch cells subjected to high-velocity (200 m/s~1000 m/s) impact. Dynamic finite element simulations were performed to study the effects of internal interfacial behavior and external loading and boundary conditions on the dynamic mechanical behavior of pouch cells. Specifically, mechanical resistance across interfaces between different cell components have a pronounced impact on energy distribution and absorption, thereby determining the evolution of subsequent failure events. These results have practical implications for designing cells with liquid versus gel-type electrolytes, for example. Furthermore, finite element simulations on different external loading and boundary conditions indicate that a direct interaction between the impactor and the cell boundaries lead to a significant change in residual velocity, while the response of the pouch cell is independent of the prescribed far-field boundary conditions. In other words, there is not a significant difference in the response of pouch-format cells that have stacked electrodes versus wound electrodes at such high strain rates. These results are significantly different from quasi-static simulations wherein the evolution of failure events follows a very different pathway. In addition, the impact velocity profiles under different initial impact velocities offer the ballistic limit for the pouch cell and inform subsequent propagation analyses at the battery module level. Collectively, the findings presented here not only offer new perspectives on the role of the interfacial resistances and external boundary conditions on the mechanical safety of lithium-ion pouch cells, but also have implications for further investigations on cell design, modeling approaches, and test method development to study safety of lithium-ion batteries under extreme loading conditions.

25 ENERGY STORAGE↗
DOE OSTI2018

Temperature and strain rate dependent behavior of polymer separator for Li-ion batteries

Safe performance of advanced Li-ion batteries relies on integrity of the separator membrane which prevents contact between electrodes of opposite polarity. Current work provides detailed study of mechanical behavior of such membrane. Temperature and strain rate sensitivity of the triple-layer polypropylene (PP)/polyethylene (PE)/polypropylene (PP) porous separator for Li-ion batteries was studied experimentally under controlled temperatures of up to 120° (393 K), and strain rates (from 1∙10-4s-1 to 0.1s-1). Digital image correlation was used to study strain localization in separator under load. The results show significant dependence of mechanical properties on temperature, with the yield stress decreasing by 30% and elastic modulus decreasing by a factor of two when the temperature is increased from 20 °C to 50 °C. The strain rate strengthening also decreased with higher temperatures while the temperature softening remained independent of the applied strain rate. Application of temperature creates long lasting changes in mechanical behavior of separator as was revealed by performing experiments after the annealing. Such delayed effect of temperature application appears to have directional dependence. The results demonstrate complex behavior of polymer separator which needs to be considered in proper safety assessments of Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

The impact of behavioral and geographic heterogeneity on residential-sector carbon abatement costs

Analyses of monetary and emissions savings from residential efficiency upgrades usually neglect behavioral differences between consumers. Variations in behavior are frequently large: 13% of the U.S. population sets thermostats for cooling at 20 °C (68 °F) or lower and 15% at 25.5 °C (78 °F) or higher. Efficiency analyses should account for behavioral heterogeneity as well as variations in climate and housing characteristics. We model energy and economic savings of efficiency upgrades for U.S. single-family detached houses, accounting for differences in thermostat settings, climate zone, fuel prices, and home characteristics. We consider five efficiency interventions: wall insulation, attic insulation, air sealing, high-efficiency furnaces, and high-efficiency air conditioners. Energy and economic savings vary widely by consumer; the average net present value for wall insulation is $3,020 United States Dollar (USD), but considering heterogeneity, it has a 10th percentile value of -$231 and 90th percentile value of $5,000. Neglecting heterogeneity, technology upgrades can be prioritized from lower to higher carbon abatement costs: air conditioners, wall insulation, furnace, air sealing, and attic insulation. Accounting for heterogeneity reorders this prioritization, and consumer-specific conditions affect mitigation costs such that technologies are mixed in with one another and are no longer arranged one after another. These results indicate that interventions to improve efficiency should consider differences between consumers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗