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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Critical feature and seawater testing of cross-flow rotor components fabricated with additive manufacturing

Advanced manufacturing (AM) materials were investigated for their suitability for use in cross-flow turbine rotors. AM materials were categorized into 3 classes – plastics, metals, and ceramics – and reviewed for suitability based on a set of engineering requirements and criteria. Two plastics and two metals were selected to undergo further testing: Essentium CF25, Markforged Onyx, Titanium Ti-6Al-4V, and Inconel 718. Dogbone-shaped specimens were printed from each material in two sets. The first set was tensile tested to get a material baseline. The second set was submerged in the seawater tanks at PNNL-Sequim for 6 months to determine water uptake, corrosion, and biofouling resistance and then subsequently tensile tested. While few macroscopic changes could be observed after seawater testing, the plastic materials degraded significantly as compared to baseline, while the metal material properties remained consistent. Titanium and Inconel are used consistently by industry in extreme conditions, and the materials show promising performance for marine energy use cases.

McVey, James R.↗
DOE OSTI2024

Achieving high-ZT in Te/Se-based thermoelectric materials via volume-constrained shear-induced plastic deformation

This study investigated the correlation between severe plastic deformation and microstructural evolution, along with the corresponding response in the thermoelectric performance. Specifically, severe plastic deformation introduced into intrinsically brittle thermoelectric materials like Bi 2 Te 3 - x Se x leads to microstructural changes ranging from nano- to micro- scales, including phase transformation, phase segregation, and stacking faults. The resultant residual strain and lattice defects in the Bi 2 Te 3-x Se x materials led to engineering of electronic bands, which increases the effective mass of electrons while controlling their concentration, thereby enhancing the power factor.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Infinitely Recyclable Network Polymers, Enabling Sustainable Manufacturing (CRADA Final Report)

This FLO Materials project was aimed at commercializing a new, infinitely recyclable material that can enable closed-loop lifecycles for hard-to-recycle plastics and plastic products. Four hundred million metric tons of virgin plastic is produced each year, yet less than 10% of this material is recycled. In the US alone, 2% of energy consumption is dedicated to the manufacture of virgin plastics, polymer resin, and synthetic rubbers. By keeping plastic materials in circulation longer, we can reduce waste, lower manufacturing costs, cut energy and oil consumption, and drastically reduce greenhouse gas (GHG) emissions. Specifically, FLO’s innovation overcomes the complications associated with salvaging difficult-to-recycle plastics (i.e., contaminated thermoplastic linear polymers, thermoset cross-linked network polymers), which represent at least 20% of total polymer global production, with a recycling rate of near 0%. Chemical recycling of these new polymers through depolymerization allows all additives to be easily removed at room temperature and the recovered monomers to be remanufactured into next generation materials with 100% recovery of mechanical performance and aesthetic quality.

36 MATERIALS SCIENCE↗
DOE OSTI2021

National and regional waste stream in the United States: conformance and disparity

Accurate estimation of municipal solid waste (MSW) composition is critical for efficient waste management. In the United States, site-specific and material flow approaches determine the MSW composition at regional and national levels. The material flow-based national estimates are determined by the US EPA; the US EPA’s estimates are known to differ substantially from the aggregated tonnage of MSW managed by waste handling facilities in the United States. However, the material class-specific discrepancies of the US EPA’s material flow approach resulting in these differences are unknown. To find the basis of these discrepancies, we analyze the discarded MSW stream of 27 US states, which roughly accounts for 73 percent of the US population. Our analysis indicates that the material flow-based national estimates are accurate for the food, plastic, and glass material classes. In contrast, we find that the US EPA’s material flow-based predictions underestimate paper waste disposal by at least 15 million tons annually. These differences likely stem from incorrect assumptions of residence time. These results highlight the material class-specific strengths and drawbacks of the US EPA’s material flow-based MSW estimates.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 6061-T651 Aluminum Alloy from Plate

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The matters of interest here are the elastic-plastic response and ductile failure behavior of 6061-T651 aluminum alloy under the conditions described above. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of a modular $J_2$ plasticity model with isotropic hardening as well as a ductile failure model. Both included modules that accounted for temperature and strain rate dependence. The models were coupled with an adiabatic heating module to calculate the temperature rise due to the conversion of plastic work to heat. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s as well as four geometries of notched tension specimens and two tests on specimens with shear-dominated deformations. The test data collected allowed the calibration of both the plasticity and the ductile failure models. Most test specimens were extracted from a single piece of plate to maintain consistency. Notched tension tests came from a possibly different plate, but from the same lot. When using the model in structural finite element calculations, element formulations and sizes different from those used to model the test specimens in the calibration are likely to be used. A brief investigation demonstrated that the failure model can be particularly sensitive to the element selection and provided an initial guide to compensate in a specific example.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Simulated X-Ray Radiographic Performance of a Bismuth-Loaded PVT Array

Recent material advancements in organic plastic scintillators enable marked increases in material detection efficiency, light yield, and pulse shape discrimination properties. These advances may resolve significant capability gaps for lowcost, portable, and durable dual-particle imaging (DPI) systems for nuclear safety, security, and safeguard purposes. One such material, a 21% bismuth-loaded polyvinyl toluene (BiPVT), is computationally evaluated as a small, pixelated radiographic array using Monte Carlo N-Particle (MCNP) and Zemax OpticStudio, and it is compared to identical evaluations of EJ-200 and EJ-256 arrays. MCNP software enables estimates of particle interaction and energy deposition, while OpticStudio computes optical light transport within each material. Here, computational estimates of spatial resolution and relative light collection at 370 kVp are found to agree with experimental results for both EJ-200 and EJ-256 arrays, thereby validating predictions of the same for the BiPVT array. As such, for equivalent exposures at 370 kVp, a BiPVT array may provide ~20× the light collection expected from EJ-200 and ~10× that expected from EJ-256. Similar comparisons of estimated light collection are also computed at 150 and 270 kVp, and these results suggest that BiPVT will provide significantly improved performance over EJ-200 and EJ-256 across all energies practical for portable X-ray radiography.

42 ENGINEERING↗
DOE OSTI2022

A chemical approach for the future of PLA upcycling: from plastic wastes to new 3D printing materials

As the demand for PLA increases, post-consumer disposal strategies must be carefully considered. While we would love to embrace a bioplastic future, we also need to tread carefully. Though PLA is widely claimed to be biodegradable, full degradation often requires conditions not typically found in landfills or industrial composting. Therefore, it will negatively impact the environment if treated carelessly. Here, in this work, we report a simple PLA upcycling path to turn existing PLA wastes into new 3D printable materials within 48 hours. The ester bonds of PLA can be cleaved efficiently via aminolysis. The obtained monomeric compound was derivatized with methacrylic anhydride, which introduces double bonds and thus a cross-linkable monomer is obtained. In combination with a comonomer and initiator, a photocurable resin is produced. The resin can be fed into any commercially available photocuring 3D printer. The 3D printed parts derived from PLA wastes exhibit impressive performances with a tensile strength of 58.6 MPa, Young's modulus of 2.8 GPa, and glass transition at ~180 °C. Our work demonstrates a new route to active upcycling of PLA while minimizing the need for disposal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 304L Stainless Steel Alloy

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The material of interest here is 304L stainless steel, and the objective of this work is to calibrate thermal-mechanical models: one for the constitutive behavior and another for failure. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of the models. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s. It also included notched tension and shear-dominated compression hat tests specifically designed to calibrate the failure model. All test specimens were extracted from a single piece of plate to maintain consistency. The constitutive model adopted was a modular $J_2$ plasticity model with isotropic hardening that included rate and temperature dependence. A criterion for failure initiation based on a critical value of equivalent plastic strain fitted the failure data appropriately and was adopted. Possible ranges of the values of the parameters of the models were determined partially on historical data from calibrations of the same alloy from other lots and are given here. The calibration of the parameters of the models were based on finite element simulations of the various material tests using relatively ne meshes and hexahedral elements. When using the model in structural finite element calculations, however, element formulations and sizes different from those in the calibration are likely to be used. A brief investigation demonstrated that the failure initiation predictions can be particularly sensitive to the element selection and provided an initial guide to compensate for the effect of element size in a specific example.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluation of the ring tension test (RTT) for robust determination of material strengths

The ring tension test (RTT) is an experimental method for determining mechanical behavior in a material’s circumferential or hoop direction. It is a crucial test for testing anisotropic materials with tube geometry, such as nuclear fuel cladding or irradiated pipes. Several RTT configurations exist, each with their own advantages and disadvantages. However, this test is significantly more complex than traditional tensile testing and can be especially sensitive to small differences and inconsistencies in the test setup and geometry, ultimately affecting the derived mechanical properties. Previous research has focused on method development, and little work has been done on understanding the subtle differences between an ideal test and experiments, specifically when the tests are performed on highly irradiated materials in hot cells. In this work, a finite element-based investigation of the RTT is conducted to fill this gap. The two most used test configurations are investigated, comparing their ability to determine accurate material strengths through plastic deformation. Several non-ideal conditions and uncontrollable effects which are likely to occur during experimental testing such as machining tolerances, variations of specimen geometry from nominal dimensions, rotation of specimens and fixturing, and other test setup discrepancies are studied. The sensitivity of measured strengths to these conditions is presented. A mechanics-based approach to describing and correcting raw data to determine actual strengths is also included for one of the configurations, resulting in a robust correction method with highly accurate material strength measurements. Finally, based on these analyses, the hemicylindrical mandrel configuration is recommended with a gauge region oriented at a 45° angle.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Analysis of Element Size and Element Type on SS304L Material Model Performance

Finite element solutions are only valid if the information inputted into the models is a valid assumption. This is why it is important to determine if the model behaves as expected especially in the material response. Material models that consider deformation in the elastic and plastic regions are desirable. As a material deforms plastically, hardening will occur until the ultimate strength is reached due to the reduction of the cross sectional area in a uniaxial tensile test environment. A phenomenological approximation of this behavior which is known as power law hardening (plh) can be expressed as σ = σ y + K $ϵ^{n}_{p}$ where K and n are empirically determined constants, and σ y is the proportional limit of the material. The first objective of this study is to verify the behavior for a calibrated plh material model for selective deviatoric hexahedral elements when applied to a different material stock. The Sierra SM input for this calibrated model can be found in the appendix. The second objective of this study is to determine the differences in failure characteristics for considerably large shell elements versus that of fine hexahedral elements.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Apparatus, system, and method for radiation hardened plastic and flexible elastomer scintillator

A scintillating material that is a radiation hardened plastic and flexible elastomer is disclosed. The material is useful in a wide range of high energy particle environments and can be used to create detectors. Such detectors can be used in physics experiments or in medical treatment or imaging. The scintillator can be radiation hardened so as to allow for an extended lifetime over other materials.

Akgun, Ugur↗
DOE OSTI2022

An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

Here, this paper demonstrates a novel Eulerian computational framework for modeling anisotropic elastoplastic deformations of organic crystalline energetic materials (EM) under shocks. While Eulerian formulations are advantageous for handling large deformations, constitutive laws in such formulations have been limited to isotropic elastoplastic models, which may not fully capture the shock response of crystalline EM. The present Eulerian framework for high-strain rates, large deformation material dynamics of EM incorporates anisotropic isochoric elasticity via a hypo-elastic constitutive law and visco-plastic single-crystal models. The calculations are validated against atomistic calculations and experimental data and benchmarked against Lagrangian (finite element) crystal plasticity computations for shock-propagation in a monoclinic organic crystal, octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (β-HMX). The Cauchy stress components and the resolved shear stresses calculated using the present Eulerian approach are shown to be in good agreement with the Lagrangian computations for different crystal orientations. The Eulerian framework is then used for computations of shock-induced inert void collapse in β-HMX to study the effects of crystal orientations on hotspot formation under different loading intensities. The computations show that the hotspot temperature distributions and the collapse profiles are sensitive to the crystal orientations at lower impact velocities (viz., 500 m/s); when the impact velocity is increased to 1000 m/s, the collapse is predominantly hydrodynamic and the role of anisotropy is modest. The present methodology will be useful to simulate energy localization in shocked porous energetic material microstructures and other situations where large deformations of single and polycrystals govern the thermomechanical response.

42 ENGINEERING↗
DOE OSTI2020

Mechanical behavior and texture evolution of WE43 magnesium-rare earth alloy in Split-Hopkinson Pressure Bar and Taylor Impact Cylinder Testing

Mechanical behavior and texture evolution of Mg rare-earth alloy WE43 is investigated for strain-rates 10 -3 /s to upwards of 10 5 /s for the two material conditions - as-cast (AC) and T6 age hardened, rolled plate (RT6). The high strain-rate behavior is tested using both Taylor cylinder impact tests (TC) and split Hopkinson pressure bar tests (SHB) and bulk textures are obtained using neutron diffraction. Unlike the quasi-static strained material, AC and RT6 SHB retained high hardening rates throughout the test, even up to 30% true strain. Moreover, the high strain-rate data revealed that the RT6 material has a much higher strength than the AC material, but similar hardening rates despite significantly different initial texture. The flow stress near yield increased up to I 0% for RT6 and up to 30% for AC as the strain-rate increased six orders of magnitude from quasi-static rates 10 -3 /s to 10 3 /s. Neither material exhibited significant plastic anisotropy over the broad range of strain rates, despite the fact that the RT6 material had a moderately strong initial texture. In the TC tests, the geometric cross-sectional changes and texture along the cylinder from the cylindrical sample foot to head are measured and from the neutron diffraction texture analysis, upper-bound estimates of twin volume fraction are obtained as well as dislocation density from analyzing diffraction peak broadening. Recorded geometrical changes along several loading directions show that the material has deformed remarkably homogeneously under impact. Analysis of deformed textures indicates that {101¯2} extension deformation twinning occurred in the RT6 condition over the range of strain rates, with an upper bound estimate of 40% twin volume fraction for approximately 0.10-0.25 true strain. The peak texture components after the impact have their c-axes closely aligned with the impact direction. As a result, these observations are presented and rationalized in the paper.

42 ENGINEERING↗
DOE OSTI2024

Demonstrating resonant ultrasound spectroscopy as a viable technique to characterize thermally conditioned high explosive materials

We present results of resonant ultrasound spectroscopy (RUS) measurements applied to granular high explosive materials at different bulk pressing densities and degree of thermal conditioning. The material chosen in this study is a ubiquitously used explosive material known as pentaerythritol tetranitrate (PETN), which is used commercially in civil and defense applications both as a binderized plastic bonded explosive material and an unbinderized neat material. However, changes in granular PETN bulk elastic properties due to thermal conditioning, which could have implications for better understanding environmental aging-related effects, have not been well studied even though it is believed that elasticity may play an important role in explosive material initiation mechanisms. Furthermore, monitoring elastic property changes in granular explosive pressings has not yet been demonstrated using RUS, which is an appealing non-destructive characterization tool that requires only dry point contact with the explosive material. To this end, we report the first study using RUS to quantify the elastic properties of binderized and neat PETN pressings as well as to quantify changes in elastic properties as a function of both thermal conditioning and bulk pressing density. Elastic stiffness coefficients, sometimes more commonly referred to as elastic constants, calculated from the RUS measurements on the different PETN-based materials show a significant increase for the post-conditioned samples compared to the pre-conditioned samples. This trend of increasing elastic properties with thermal conditioning was consistent for different density pressings, different thermal exposure conditions, and even different neat PETN pressings of differing average crystal sizes and/or specific surface areas.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Periodic training of creeping solids

Significance It is well appreciated that many disordered materials deform their shape irreversibly (plastically) under an external load (e.g., memory foam). Here, we show that this plasticity can be exploited to train materials to develop novel elastic responses by straining them periodically. By applying different periodic strains to a common viscoelastic material, we are able to design a number of different responses. These include a maximally negative Poisson’s ratio, bistable behavior, and nonlocal bond-specific responses. In contrast to computer-aided design, we rely on plasticity to self-organize the system in response to local stresses. This approach shows promise to achieve an unprecedented control over behavior at large strains well beyond the linear-response regime.

36 MATERIALS SCIENCE↗
DOE OSTI2023

GnarlyX: Eulerian multi-material hydrodynamics coupled to equation of state and hyperelastic, plastic constitutive models

GnarlyX is a new hydrocode for direct numerical simulations of the microstructural behavior of high explosives at the mesoscale. We summarize the computational framework for multidimensional, Eulerian multi-material hydrodynamics coupled to EOS and hyperelastic, plastic constitutive models. We present 1D verification tests of multi-material only and combined multimaterial and strength capabilities with comparisons to exact solutions of shock states resulting from an incident shock impacting the material interface of PBX9502 and aluminum. We show that GnarlyX performs well in capturing the resulting shock waves in examining numerical convergence with exact solutions. In later work, we will summarize the thermomechanics and multi-dimensional, parallel computing capabilities in GnarlyX with multi-dimensional verification tests.

42 ENGINEERING↗
DOE OSTI2023

Chemical characterization of microplastic particles formed in airborne waste discharged from sewer pipe repairs

Microplastic particles are of increasing environmental concern due to the widespread uncontrolled degradation of various commercial products made of plastic and their associated waste disposal. Recently, common technology used to repair sewer pipes was reported as one of the emission sources of airborne microplastics in urban areas. This research presents results of the multi-modal comprehensive chemical characterization of the microplastic particles related to waste discharged in the pipe repair process and compares particle composition with the components of uncured resin and cured plastic composite used in the process. Analysis of these materials employs complementary use of surface-enhanced Raman spectroscopy, scanning transmission X-ray spectro-microscopy, single particle mass spectrometry, and direct analysis in real-time high-resolution mass spectrometry. Further, it is shown that the composition of the relatively large (100 μm) microplastic particles resembles components of plastic material used in the process. In contrast, the composition of the smaller (micrometer and sub-micrometer) particles is significantly different, suggesting their formation from unintended polymerization of water-soluble components occurring in drying droplets of the air-discharged waste. In addition, resin material type influences the composition of released microplastic particles. Results are further discussed to guide the detection and advanced characterization of airborne microplastics in future field and laboratory studies pertaining to sewer pipe repair technology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Ion Implantation-Induced Plastic Phenomena in Metallic Alloys

Ion implantation is widely used for doping semiconductors or electroceramic materials and probing material behaviors in extreme radiation environments. However, implanted ions can induce compressive stresses into the host material, which can induce plasticity and mesoscopic deformation. However, these phenomena have almost exclusively been observed in brittle ionic and/or covalently bonded materials. Here, in this study, we present transmission electron microscopy observations of unusual implantation-induced plasticity in two metallic alloys. First, Fe 2+ ions induce dislocation plasticity below the implanted layer in a model Fe-P alloy. Next, He+ ions form pressurized cavities which activate the fcc-to-hcp strain-induced martensitic transformation in Alloy 625. In both cases, the plasticity can be explained by a combination of implanted ions being incorporated into the lattice and the creation of irradiation defects. These findings have significant implications for mechanical testing of ion-implanted layers, while also opening pathways for using ion implantation to tune stress distributions in metallic alloys.

36 MATERIALS SCIENCE↗