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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

Channel Scaling Dependent Photoresponse of Copper-Based Flexible Photodetectors Fabricated Using Laser-Induced Oxidation

Copper (Cu) oxide compounds (Cu x O), which include cupric (CuO) and cuprous (Cu 2 O) oxide, have been recognized as a promising p-channel material with useful photovoltaic properties and superior thermal conductivity. Typically, deposition methods or thermal oxidation can be used to obtain Cu x O. However, these processes are difficult to apply to flexible substrates because plastics have a comparatively low glass transition temperature. Also, additional patterning steps are needed to fabricate applications. In this work, we fabricated a metal–semiconductor–metal photodetector using laser-induced oxidation of thin Cu films under ambient conditions. Raman spectroscopy, scanning electron microscopy–energy-dispersive X-ray spectroscopy, and atomic force microscopy were used to study the composition and morphology of our devices. Moreover, the photoresponse of this device is reported herein. We performed an in-depth analysis of the relationship between the channel size and number of carriers using scanning photocurrent microscopy. The carrier transport behaviors were identified; the photocurrent decreased as the length and width of the channel increased. Furthermore, we verified the suitability of the device as a flexible photodetector using a variety of bending tests. Our in-depth analysis of this Cu-based flexible photodetector could play an important role in understanding the mechanisms of other flexible photovoltaic applications.

36 MATERIALS SCIENCE↗

Innovative Interfacial Engineering for Simultaneous Enhancement in Efficiency, Stability, and Reliability in Perovskite Devices

The overarching objective of this project was to increase significantly the mechanical adhesion toughness of the key interfaces in PSCs, thereby improving the durability and reliability of PSCs and minimodules, while simultaneously enhancing their PCE. This is achieved by incorporating rationally-chosen self-assembled monolayers (SAMs) at key PSC interfaces. Inherently scalable methods for the deposition of MHP light-absorber thin films and SAMs are employed to ensure a viable path towards manufacturability. Furthermore, detailed understanding of mechanisms of PSCs and minimodules degradation, and SAMs-induced mitigation, is provided. As part of the project accomplishments, >60% increase in the adhesion toughness of the key PSC interfaces over their SAMs-free control counterparts was achieved. Also, PCEs >20% and >19% in rigid and flexible, respectively, single-junction PSCs (~1 cm 2 area) were achieved. It was shown that <20% PCE loss in flexible PSCs with SAMs can be achieved after bend testing. It was demonstrated that T80 (80% retention of initial PCE) of >5,000 hours in rigid PSCs (~1 cm2 area) can be achieved. Comprehensive understanding of the degradation mechanisms in PSCs was obtained. These strategies were adopted towards developing minimodules. PCE of >21% was obtained in an 6-cm 2 area minimodule, with T91 of 1,000 hours.

14 SOLAR ENERGY↗

Evaluation of the Mechanical Properties of Cast and Wrought CF8C-Plus Relevant to ASME Code Case Qualification

The mechanical behavior of a cast form of an advanced austenitic stainless steel, CF8C-Plus, is compared with that of its wrought equivalent in terms of both tensile and creep-rupture properties and estimated allowable stress values for pressurized service at temperatures up to about 850°C. A traditional Larson-Miller parametric model is used to analyze the creep-rupture data and to predict long-term lifetimes for comparison of the two alloy types. The cast CF8C-Plus exhibited lower yield and tensile strengths, but higher creep strength compared to its wrought counterpart. Two welding methods, shielded-metal-arc welding (SMAW) and gas-metal-arc welding, met the weld qualification acceptance criteria in ASME BPVC Section IX for the cast CF8C-Plus. However, for the wrought CF8C-Plus, while SMAW and gas-tungsten-arc welding passed the tensile acceptance criteria, they failed the side bend tests due to lack of fusion or weld metal discontinuities.

Chen, Xiang↗

Laser-induced graphene gas sensors for environmental monitoring

Artemesia tridentatais a foundational plant taxon in western North America and an important medicinal plant threatened by climate change. Low-cost fabrication of sensors is critical for developing large-area sensor networks for understanding and monitoring a range of environmental conditions. However, the availability of materials and manufacturing processes is still in the early stages, limiting the capacity to develop cost-effective sensors at a large scale. In this study, we demonstrate the fabrication of low-cost flexible sensors using laser-induced graphene (LIG); a graphitic material synthesized using a 450-nm wavelength bench top laser patterned onto polyimide substrates. We demonstrate the effect of the intensity and focus of the incident beam on the morphology and electrical properties of the synthesized material. Raman analyses of the synthesized LIG show a defect-rich graphene with a crystallite size in the tens of nanometers. This shows that the high level of disorder within the LIG structure, along with the porous nature of the material provide a good surface for gas adsorption. The initial characterization of the material has shown an analyte response represented by a change in resistance of up to 5% in the presence of volatile organic compounds (VOCs) that are emitted and detected byArtemisiaspecies. Bend testing up to 100 cycles provides evidence that these sensors will remain resilient when deployed across the landscapes to assess VOC signaling in plant communities. The versatile low-cost laser writing technique highlights the promise of low-cost and scalable fabrication of LIG sensors for gas sensor monitoring.

Chemistry↗

The Effect of Calcium on the Cohesive Strength and Flexural Properties of Low-Methoxyl Pectin Biopolymers

Pectin binds the mesothelial glycocalyx of visceral organs, suggesting its potential role as a mesothelial sealant. To assess the mechanical properties of pectin films, we compared pectin films with a less than 50% degree of methyl esterification (low-methoxyl pectin, LMP) to films with greater than 50% methyl esterification (high-methoxyl pectin, HMP). LMP and HMP polymers were prepared by step-wise dissolution and high-shear mixing. Both LMP and HMP films demonstrated a comparable clear appearance. Fracture mechanics demonstrated that the LMP films had a lower burst strength than HMP films at a variety of calcium concentrations and hydration states. The water content also influenced the extensibility of the LMP films with increased extensibility (probe distance) with an increasing water content. Similar to the burst strength, the extensibility of the LMP films was less than that of HMP films. Flexural properties, demonstrated with the 3-point bend test, showed that the force required to displace the LMP films increased with an increased calcium concentration ( p < 0.01). Toughness, here reflecting deformability (ductility), was variable, but increased with an increased calcium concentration. Similarly, titrations of calcium concentrations demonstrated LMP films with a decreased cohesive strength and increased stiffness. We conclude that LMP films, particularly with the addition of calcium up to 10 mM concentrations, demonstrate lower strength and toughness than comparable HMP films. These physical properties suggest that HMP has superior physical properties to LMP for selected biomedical applications.

Biochemistry & Molecular Biology↗

Image-Driven Hybrid Structural Analysis Based on Continuum Point Cloud Method with Boundary Capturing Technique

Conventional approaches for the structural health monitoring of infrastructures often rely on physical sensors or targets attached to structural members, which require considerable preparation, maintenance, and operational effort, including continuous on-site adjustments. This paper presents an image-driven hybrid structural analysis technique that combines digital image processing (DIP) and regression analysis with a continuum point cloud method (CPCM) built on a particle-based strong formulation. Polynomial regressions capture the boundary shape change due to the structural loading and precisely identify the edge and corner coordinates of the deformed structure. The captured edge profiles are transformed into essential boundary conditions. This allows the construction of a strongly formulated boundary value problem (BVP), classified as the Dirichlet problem. Capturing boundary conditions from the digital image is novel, although a similar approach was applied to the point cloud data. It was shown that the CPCM is more efficient in this hybrid simulation framework than the weak-form-based numerical schemes. Unlike the finite element method (FEM), it can avoid aligning boundary nodes with regression points. A three-point bending test of a rubber beam was simulated to validate the developed technique. The simulation results were benchmarked against numerical results by ANSYS and various relevant numerical schemes. The technique can effectively solve the Dirichlet-type BVP, yielding accurate deformation, stress, and strain values across the entire problem domain when employing a linear strain model and increasing the number of CPCM nodes. In addition, comparative analysis with conventional displacement tracking techniques verifies the developed technique’s robustness. The proposed technique effectively circumvents the inherent limitations of traditional monitoring methods resulting from the reliance on physical gauges or target markers so that a robust and non-contact solution for remote structural health monitoring in real-scale infrastructures can be provided, even in unfavorable experimental environments.

Chemistry↗

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↗

Experimental and computational analysis of bending fatigue failure in chopped carbon fiber chip reinforced composites

With a better balance among good mechanical performance, high freedom of design, and low material and manufacturing cost, chopped carbon fiber chip reinforced sheet molding compound (SMC) composites show great potential in different engineering applications. Here in this paper, bending fatigue behaviors of SMC composites considering the heterogeneous fiber orientation distributions have been thoroughly investigated utilizing both experimental and computational methods. First, four-point bending fatigue tests are performed with designed SMC composites, and the local modulus is adopted as a metric to represent the local fiber orientation of two opposing sides. Interestingly, SMC composites with and without large discrepancy in local modulus of opposing sides show different fatigue behaviors. Interrupted tests are conducted to explore the bending fatigue failure mechanism, and the damage processes of valid specimens are also closely examined. We find that the fatigue failure of SMC composites under four-point bending is governed by crack propagation instead of crack initiation. Because of this, the heterogeneous local fiber orientations of both sides of the specimen influence fatigue life. The microstructure of the lower side shows a direct influence while that of the upper side also exhibiting influence which becomes more prominent for high cycle fatigue cases. Furthermore, a hybrid micro–macro computational model is proposed to efficiently study the cyclic bending behavior of SMC composites. The region of interest is reconstructed with a modified random sequential absorption algorithm to conserve all the microstructural details including the heterogeneous fiber orientation, while the rest of the regions are modeled as homogenized macro-scale continua. Combined with a framework to capture the progressive fatigue damage under cyclic bending, the bending fatigue behaviors of SMC composites are accurately captured by the hybrid computational model comparing with our experimental analysis.

36 MATERIALS SCIENCE↗

Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials

A high-strength dual a+ß phase titanium alloy Ti–6Al–4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected by high-intensity proton beam irradiation. With plans to upgrade neutrino facilities at J-PARC and Fermilab to over 1 MW beam power, the radiation damage in the window material will reach a few displacements per atom (dpa) per year, significantly above the ~0.3 dpa level of existing data. The international RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, has conducted a high intensity proton beam irradiation of various target and window material specimens at Brookhaven Linac Isotope Producer (BLIP) facility, including a variety of titanium alloys. Post-Irradiation Examination (PIE) of the specimens in the 1st capsule, irradiated at up to 0.25 dpa, is in progress. Tensile tests in a hot cell at Pacific Northwest National Laboratory (PNNL) exhibited a clear signature of radiation hardening and loss of ductility for Ti–6Al–4V, while Ti–3Al–2.5V, with less ß phase, exhibited less severe hardening. Microstructural investigations will follow to study the cause of the difference in tensile behavior between these alloys. High-cycle fatigue (HCF) performance is critical to the lifetime estimation of beam windows exposed to a periodic thermal stress from a pulsed proton beam. The first HCF data on irradiated titanium alloys are to be obtained by a conventional bend fatigue test at Fermilab and by an ultrasonic mesoscale fatigue test at Culham Laboratory. Specimens in the 2nd capsule, irradiated at up to ~1 dpa, cover typical titanium alloy grades, including possible radiation-resistant candidates. These systematic studies on the effects of radiation damage of titanium alloy materials are intended to enable us not only to predict realistic lifetimes of current beam windows made of Ti–6Al–4V, but also to extend the lifetime by choosing a more radiation and thermal shock tolerant alloy with a preferable heat treatment, or even by developing new materials.

Titanium Alloy, Beam Window, Proton Beam, Radiatio↗

Mechanical response of HFIR-irradiated M5FRAMATOME cladding under simple and complex loading conditions

This study investigates the mechanical behavior of High Flux Isotope Reactor (HFIR) irradiated M5FRAMATOME cladding under simple and complex loading conditions through axial tensile and reversible cyclic bending. Axial tension specimens were pre-machined prior to HFIR irradiation while cyclic bend specimens were inserted as intact tubes. Tests articles were neutron-irradiated to 4 and 16 dpa, and specimens were tested at ORNL's hotcell facilities. The axial tension tests were conducted under constant displacement control, and the reversible cyclic bend tests were performed using ORNL's Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) apparatus. Results showed that mechanical response of Cr-coated and uncoated M5FRAMATOME cladding were similar and independent of irradiation dose for axial tension tests, while Cr-coated specimens’ reversible cyclic bend behavior differed from uncoated counterparts. For all tests, irradiation temperature showed a significant impact on the mechanical behavior. Below 280°C, all axial tensile specimens whether coated or not behaved similarly. Above 280°C, YS and UTS showed decrease with increasing irradiation temperature. A similar behavior was also observed in cyclic bend tests as well. The mechanical damage during cyclic bend tests was linked to damage accumulation in unirradiated Cr-coated zircaloy-4 specimens, and the effect of irradiation temperature was related to changing characteristics of defect mobility during high temperature irradiation.

Cinbiz, Nedim [ORNL] (ORCID:0000000346268515)↗

STRUCTURAL MODELING TO SUPPORT POST-YIELD ACCEPTANCE CRITERIA FOR SPENT NUCLEAR FUEL CLADDING

Spent nuclear fuel (SNF) is evaluated for structural failure during storage and transportation scenarios. The U.S. Department of Energy’s Spent Fuel and Waste Science and Technology (SFWST) program has sponsored significant research in quantifying mechanical loads on SNF during storage and transportation scenarios using experimental and modeling methods. The SFWST program has also performed significant research on measuring the mechanical behavior of irradiated SNF as defueled cladding segments and cladding with fuel pellets to measure composite behavior. This paper considers some of the key material data from the Sibling Pin testing and uses structural modeling and analysis methods that have been informed by testing to consider post-yield acceptance criteria for SNF cladding structural analysis. Test data published by Oak Ridge National Laboratory (ORNL) and Pacific Northwest National Laboratory (PNNL) are the foundation for informing the material behavior of the models developed in this study. In particular, four-point bend (4PB) tests of fueled and defueled cladding segments provide significant information about the bending failure mode of SNF. ORNL’s 4PB test data is on fueled cladding segments, so the composite behavior of SNF is demonstrated. This paper describes PNNL’s coincident beam model that was developed to approximate the composite behavior of SNF. This paper also presents PNNL’s structural dynamic finite element models of a cask tip-over scenario, which is predicted to cause the strongest mechanical loads on SNF of all postulated storage and transportation scenarios. SNF bending loads predicted in the cask tip-over scenario and cladding acceptance criteria beyond yield are considered, with justification based on the Sibling Pin test data. ASME Boiler and Pressure Vessel code stress intensity limits are also considered. The ultimate goal of this work is to aid in the justification of structural acceptance criteria for SNF cladding beyond the cladding’s irradiated yield strength for use in structural analysis of all storage and transportation scenarios.

Klymyshyn, Nicholas A.↗

On the influence of test speed and environment in the fatigue life of small diameter nitinol and stainless steel wire

Here, to better understand the complex interplay of speed and environment on metals commonly used in implants, rotary bend fatigue tests were conducted on stainless steel and nitinol wires. A range of alternating strains was tested to create ε-N curves at two speeds (physiologic and accelerated) and in three environments (deionized water at body temperature, phosphate buffered saline at body temperature, and laboratory air at ambient room temperature). Results indicate that speed and environment can affect the observed fatigue life in nuanced ways. An electropotential monitoring technique was demonstrated to characterize fatigue crack growth which may be useful in future investigations.

36 MATERIALS SCIENCE↗

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

Implementation of High Pressure Die Casting (HPDC) Aluminum (Al) body structures for high volume electrified vehicles (EV) to improve electric efficiency remains a key strategy within many original equipment manufacturer (OEM)s. In addition to high strength for safety requirements, superior Self-Piercing Riveting (SPR) performance is demanded for HPDC Al alloys to be compatible with high volume SPR joining. In this work, it is proposed to extend and validate an existing Contractor finite element multiscale macro-micro modeling approach to quantify the influence of the microstructure of HPDC alloys on the fracture strain/displacement under 3-point bend and clinch testing. The success of this work will allow to replace solution treatment stage with low energy consumption heat treatment (HT) processes, or to design new non heat treatable (NHT) HPDC Al alloys to eliminate HT requirements. Ultimately, this project will facilitate the application of HPDC Al alloys for super-large vehicle structures to significantly reduce vehicle weight, and thus improving energy efficiency. The purpose of this project is to extend and validate an existing finite element code, which is based on the Contractor developed macro-micro multi-scale modeling approach, to numerically simulate the three-point bending and clinch test and study the influences of material microstructural characteristics and phase properties on the rivetability. The macro-micro modeling approach begins with a sample scale model and identify the location, which is mostly prone to failure, the deformation history of the boundaries of that location calculated will be used to drive a microstructure-based sub-models where the material microstructure and microscale properties are considered. Using this approach, the wrap-bending failure for two Al alloys are correctly predicted for the first time. This will start with phase I effort of building a framework of macro-micro three point bending test and clinch test of Al10SiMgMn HPDC alloy in the as-cast and T7 heat treated conditions. Those results will then be validated with experimental test results. The phase II effort will involve the utilization of the knowledge learned in phase I to establish the quantitative correlation between the microstructure characteristics and the riveting performance, which will be further used to guide the optimization of HPDC Al alloy microstructure using heat treatment process to achieve sufficient rivetability to join large thin-wall HPDC alloys.

36 MATERIALS SCIENCE↗

High Performance Air Breathing Flexible Lithium–Air Battery

Lithium–oxygen (Li–O 2 ) batteries possess the highest theoretical energy density (3500 Wh kg –1 ), which makes them attractive candidates for modern electronics and transportation applications. In this work, an inexpensive, flexible, and wearable Li–O 2 battery based on the bifunctional redox mediator of InBr 3 , MoS 2 cathode catalyst, and Fomblin-based oxygen permeable membrane that enable long-cycle-life operation of the battery in pure oxygen, dry air, and ambient air is designed, fabricated, and tested. The battery operates in ambient air with an open system air-breathing architecture and exhibits excellent cycling up to 240 at the high current density of 1 A g –1 with a relative humidity of 75%. The electrochemical performance of the battery including deep-discharge capacity, and rate capability remains almost identical after 1000 cycle in a bending fatigue test. Furthermore, this finding opens a new direction for utilizing high performance Li–O 2 batteries for applications in the field of flexible and wearable electronics.

25 ENERGY STORAGE↗

Ring Pull Strain Analysis Version 1.1

This report details an analysis package, Ring Pull Strain Analysis (RPSA), that can be used to present and quantify digital image correlation (DIC) data as it relates to a gaugeless ring pull test. Gaugeless ring pull is a testing technique for mechanical testing of small annular samples, usually cut from a thin-walled tube. DIC data is often necessary for this kind of test because bending moments present on the ring cause a non-uniform strain distribution and localized measurements are necessary. In addition, the annular geometry of a ring lends itself to a polar representation, which is not present with typical DIC analysis methods. RPSA was made to calculate and plot the polar representation of strain from standard pre-processed DIC data of a gaugeless ring pull test. Further analysis can be done on ring pull including a quasi-uniaxial tensile analysis and coating analysis, which are also performed by RPSA. In addition, due to the universality of DIC plotting and ring pull test analysis, RPSA can accommodate a wide variety of tests, though it is tailored for ring pull testing. This report details how RPSA works, including the theory, assumptions, and logic behind the calculations and the structure of the program.

36 MATERIALS SCIENCE↗

Key results from examinations of seven high burnup pressurized water reactor spent nuclear fuel rods

At present, spent nuclear fuel (SNF) assemblies discharged from US commercial power plants are placed into dry storage following a short cooling time (<10 years) in the plant’s spent fuel pool. The process of packaging the spent fuel into dry-storage canisters includes a drying step to remove residual water from the canister. During the drying process, the fuel rod cladding may reach temperatures as high as 400°C. Oak Ridge National Laboratory (ORNL) is performing destructive examinations of high burnup (HBU) (>45 GWd/MTU) SNF rods to address knowledge and data gaps related to extended interim storage and eventual transportation for disposal. The rods examined include four different kinds of fuel rod cladding: standard Zircaloy-4 (Zirc-4), low-tin (LT) Zirc-4, ZIRLO, and M5. Three rods were subjected to a thermal transient to assess the effects of decay-heat-driven high temperatures expected during vacuum drying of the fuel as it is prepared for interim dry storage. The examinations focus on the composite fuel rod performance, as compared with the performance of defueled rod cladding, and establish the baseline mechanical properties of a fuel rod before interim dry storage. The key results of these examinations are presented, including the measured mechanical and fatigue properties, observations of cladding hydrogen pickup and hydride reorientation effects on rod performance, effects of the simulated drying temperatures on rod performance, and general conclusions of SNF performance in extended interim dry storage and transport. The rods were found to be strong and durable in the expected loading conditions, even considering the formation of radial hydrides associated with vacuum drying. The combined testing provides a broad body of data supporting extended interim storage and transportation performance of HBU spent fuel.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Unprecedented Multifunctionality in 1D Nb 1- x Ta x S 3 Transition Metal Trichalcogenide Alloy

One-dimensional (1D) van der Waals materials, such as nanofibers or nanoribbons are considered as the future ultimate limit of downscaling for modern electrical and electrochemical devices. Here, for the first time, we successfully synthesize nanofibers of a solid solution transition metal trichalcogenide (TMTC), Nb 1-x Ta x S 3 , with outstanding electrical, thermal, and electrochemical characteristics rivaling the performance of the-state-of-the art materials for each application. This material shows nearly unchanged sheet resistance (≈740 Ω/sq -1 ) versus bending cycles tested up to 90 cycles, stable sheet resistance in ambient conditions tested up to 60 days, remarkably high electrical breakdown current density of ≈ 30 MA cm -2 , strong evidence of successive charge density wave (CDW) transitions, and outstanding thermal stability up to ≈900 K. Additionally, this material demonstrates excellent activity and selectivity for CO2 conversion to CO reaching ≈ 350 mA cm -2 at – 0.8 V vs RHE with an outstanding turnover frequency number of 25 for CO formation. It also exhibits an excellent performance in a high-rate Li-air battery with the specific capacity of 3000 mAhg -1 at a high current density of 0.3 mAcm -2 . This study uncovers the multifunctionality in 1D TMTC alloys for a wide range of high-impact applications and opens a new direction for the design of the next generation of low-dimensional materials with high performance.

36 MATERIALS SCIENCE↗