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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

Structural Design Variations in Beetle Elytra

Abstract Beetles typically use their protective wing coverings or elytra to shield their membranous hindwings from the environment. Elytra in some terrestrial species have evolved a greater protective role capable of shielding the organism from powerful antagonistic predators. The structure–function relationships of these biological composites identify how architectural and chemical variations of the cuticle are tuned to create light‐weight, impact resistant composites. Specifically, the elytral structures of a tree dwelling beetle capable of flight, Trypoxylus dichotomus , and a terrestrial beetle incapable of flight, Phloeodes diabolicus , are compared to understand how their varied environmental needs forged the elytra to facilitate fight or resist fatal predator strikes. Mechanical and microstructural analysis reveals P . diabolicus has a harder, stiffer elytra that incorporate through‐thickness fibers to resist greater mechanical stresses imposed by bending and puncture. Conversely, the elytra of T . dichotomus have a compliant structure with large voids that facilitates localized deformation. Variations in flexural strength and puncture resistance remain attributed to P . diabolicus possessing a thicker cuticle with a greater degree of cross‐linking and an increased amount of endocuticular layers. These findings may provide useful insight into the design and manufacturing of composite materials for use in light‐weight or energy‐absorbing applications.

Rivera, Jesus↗

Heterogeneous fatigue damage in a nickel-based single-crystal superalloy unraveled using correlative 3D X-ray technology

Nickel-based single-crystal (Ni-SX) superalloys under cyclic stress are susceptible to cracking at stress-concentration sites, eventually leading to low-cycle fatigue (LCF) failure. LCF cracks typically originate from intrinsic defects (e.g., voids and carbides) within solidified dendrites. However, systematic quantitative experimental analyses of defect-mediated local damage remain limited. To thoroughly understand the microscopic origins and evolution of LCF damage, correlated 3D mapping of dendrites across various regions is essential. Here, in this study, macroscale micro-computed tomography (μ-CT) was initially used to capture internal interdendritic secondary cracks within bulk DD413 superalloy after LCF testing at 760 °C. Subsequently, a multimodal methodology combining synchrotron 3D microdiffraction (3D-μXRD), high-resolution μ-CT, and electron microscopy was established. This approach allowed precise localization of internal damage zones near interdendritic secondary cracks and detailed mapping of the 3D correlated distributions of dendrites, defects, and residual stress/strain fields within these zones at submicron spatial resolution. Finally, the same approach was applied to specimens subjected to interrupted loading at approximately 40 % of the fatigue life to uncover the early damage states of dendrites. The dendrite cores (DCs) and interdendritic regions (IDs) exhibit microscale heterogeneous mechanical responses: nearly defect-free DCs accumulate local irreversible slip along specific slip systems to generate slip bands, while the IDs containing various defects accommodate local microplasticity through the activation of multiple slip systems around these defects. The local tensile stress near defects in the IDs exceeds that in the DC slip band regions by more than threefold, leading to the generation of local damage zones within the IDs. Chain-like defect distributions facilitate the interconnection of these local zones into a continuous damage region, further elevating the overall tensile stress in the IDs. Additionally, geometrically necessary dislocations alone are insufficient as indicators of LCF damage; both the internal stress state and its magnitude must be considered. These experimental results provide critical data and insights for the development of multi-physics fatigue models.

Localized deformation↗

The deformation and burst behavior of Zircaloy-4 cladding tubes with hydride rim features subject to internal pressure loads

This study is motivated by the desire to conduct a separate effects test replicating specific aspects of an in-pile pulse reactor test on high exposure light water reactor (LWR) fuel rods. The principal purpose of the tests was to determine whether temperature and or hydrogen concentration thresholds exist in assessing the vulnerability of a stress relieved zirconium alloy cladding tubes to low strain ruptures. A secondary objective was to determine whether observations of the cladding stress during deformation could aid in the understanding of the crack formation and propagation in cladding tubes with hydride rim features. Here, the study utilized artificially hydrided Zircaloy-4 cladding tubes and an isothermal, internal pressure test that was controlled with an in-situ strain measurement. The test results show a clear transition in failure vulnerability between room temperature and 150 °C. Below 150 °C, cladding tubes rupture at very low uniform plastic strain—even at relatively modest cladding hydrogen levels. At and above 150 °C, cladding tubes only rupture at low uniform plastic strain if the cladding hydrogen content is greater than 500 ppm and usually experience at least some modest amount of plastic deformation prior to rupture. Post-test metallographs from non-ruptured cladding tubes show numerous primary cracks forming in the hydride rim and arresting at the metal/hydride interface. This observation combined with the decrease in bulk yielding of hydrided cladding tubes when compared to fresh non-hydrided tubes leads to the conclusion that the fracture stress of the hydride rims is related to and bounded by the yield stress of the zirconium metal. Some evidence is presented for a change in crack propagation mechanism from one of void formation on hydride plates and linkage at temperatures below 150 °C to more classical ductile shearing beneath the primary crack tip at temperatures above 150 °C. This apparent change in crack propagation mechanism may help explain the observed temperature and hydrogen concentration thresholds.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Dislocation generation in diamond under extreme loading

Diamond is, by virtue of its high bonding forces and Peierls-Nabarro barrier stresses, among the hardest materials on earth due to the difficulty of generating and moving dislocations. We demonstrate, using molecular dynamics and analytical calculations, that the generation of defects is dependent on loading orientation. Shock-loading single-crystal diamond along [001] and [011] to a stress of 137 GPa did not reveal dislocations, whereas loading along [111] generated profuse dislocations. The introduction of a void at the latter orientation generated dislocations at 72.6 GPa. Two slip systems were identified: <011>{100} and <112>{111}. The threshold for plastic deformation in diamond is orientation dependent and significantly lower than reported in previous studies: 0.14 G (shear modulus). The void collapse generated localized amorphization for [001]. In conclusion, these results on the anisotropy of plasticity and void effects have relevance for the improvement of symmetry in the collapse of diamond capsules in inertial fusion experiments.

36 MATERIALS SCIENCE↗

Probing the Mechanical Performance of Micro-architected Porous Structures Through In Situ Characterization and Analysis

Micropores play critical roles in both natural and man-made materials. Such pores take on a variety of shapes and sizes ranging from spherical to irregular sphere-like voids with diameters spanning from the nanometer to millimeter scales. When porous structures are mechanically loaded, the pores direct the stress around their free surfaces, altering the material’s mechanical response relative to fully dense materials. In this study, for the first time, we create micro-architected porous samples using nanolithography and investigate the role of pore morphology by conducting a series of in situ micropillar compression tests in scanning electron microscopy. The findings demonstrate that porosity is the primary factor influencing the mechanical response of these micro-architected materials, as often seen on a macroscopic level. Additionally, we observed that pore geometry had a significant impact on Young’s modulus, yield stress, and strain energy density as a secondary parameter. Then, the extracted Young’s modulus was compared to macroscopic empirical models and determined the analytical models sufficiently described the impact of porosity in the microscopic scale but failed to capture the impact of second-order parameters. Furthermore, these results suggest how porous materials can be tailored to achieve desired mechanical properties based on the engineering applications of interest.

36 MATERIALS SCIENCE↗

Stress relaxation cracking susceptibility evaluation in 347H stainless steel welds

Abstract Stress relaxation cracking (SRC) has been reported as a dominant failure mechanism for 347H stainless steel welds at elevated service temperatures, occurring in either the heat-affected zone (HAZ) or fusion zone (FZ). In this study, SRC susceptibility of physically simulated HAZ and cross-welded E347-347H stainless steel welds was studied using a four-step accelerated SRC test with a thermomechanical physical simulator. The stress and temperature range studied represents weld-induced residual stress at 150–600 MPa and post-weld heat treatment temperatures between 800 and 1050 °C. For all temperature conditions, the cross-welded samples failed at a lower critical stress threshold than the simulated HAZ. A finite element model of a 50.8-mm-thick single-V groove weld was used to generate the residual stress maps induced by a 40-pass welding procedure, which in combination with the experimental threshold stress map predicted potential SRC failure locations. Postmortem microstructural evaluations were performed to identify contributing characteristics to SRC. It was found that HAZ samples exhibited a combination of creep void development, secondary cracks with intergranular fracture near grain boundary carbides, and eutectic phases. FZ samples showed brittle fracture with cracks propagating along straight, non-tortuous interdendritic grain boundaries.

42 ENGINEERING↗

Role of Intersections in Fracture Connectivity

Networks of intersecting fractures often provide the flow paths through subsurface reservoirs. Assessing network connectivity is challenging because fracture intersections compose a vanishingly small fraction of the network void volume. In this paper, motivated by 3D X-ray imaging of the simplest element of fracture network, that is, two orthogonal fractures, we perform a percolation and finite-size scaling analysis to study the connectivity provided by fracture intersections. The conditions when an intersection enhances connectivity across a sample depend on spatial correlations in the fracture aperture distributions, on the stress state, and on the direction of flow. Here we consider three flow directions: (a) across intersections, (b) parallel to intersections and (c) around corners. For (a), intersections provide minimal enhancement of connectivity because they contribute little additional void area. For (b), intersections increase the probability of a connected path near threshold by enabling 3D connected pathways that are not possible in parallel fractures. Flow around corners, (c), is fundamentally the result of the intersection connecting two fractures in series and spatial correlations are broken around corners, suppressing the connectivity relative to (a). When the connected fractures are stressed equally, a joint percolation threshold emerges that continues to have scale invariance. However, when the fractures are stressed unequally, the system has mixed percolation without clearly defined percolation thresholds. In all cases, percolation probabilities are found to be scale dependent which has important consequences for the connectivity of larger fracture networks composed of the fundamental element studied here.

02 PETROLEUM↗

Triiodide Attacks the Organic Cation in Hybrid Lead Halide Perovskites: Mechanism and Suppression

Molecular I 2 can be produced from iodide-based lead perovskites under thermal stress; triiodide, I 3 − , is formed from this I 2 and I − . Triiodide attacks protic cation MA + - or FA + -based lead halide perovskites (MA + , methylammonium; FA + , formamidinium) as explicated through solution-based nuclear magnetic resonance (NMR) studies: triiodide has strong hydrogen-bonding affinity for MA + or FA + , which leads to their deprotonation and perovskite decomposition. Triiodide is a catalyst for this decomposition that can be obviated through perovskite surface treatment with thiol reducing agents. In contrast to methods using thiol incorporation into perovskite precursor solutions, no penetration of the thiol into the bulk perovskite is observed, yet its surface application stabilizes the perovskite against triiodide-mediated thermal stress. Thiol applied to the interface between FAPbI 3 and Spiro-OMeTAD (“Spiro”) prevents oxidized iodine species penetration into Spiro and thus preserves its hole-transport efficacy. Surface-applied thiol affects the perovskite work function; it ameliorates hole injection into the Spiro overlayer, thus improving device performance. It helps to increase interfacial adhesion (“wetting”): fewer voids are observed at the Spiro/perovskite interface if thiols are applied. Perovskite solar cells (PSCs) incorporating interfacial thiol treatment maintain over 80% of their initial power conversion efficiency (PCE) after 300 h of 85 °C thermal stress.

36 MATERIALS SCIENCE↗

Towards the Ultimate Strength of Medium‐Entropy Alloys Through Pulsed Lasers

The tensile strength of metals at extreme strain rates is a key predictor of their performance in ballistic and structural impact applications. An important experimental method to reach these extreme strain rates is the use of high-amplitude, short-duration pulsed lasers. The Jupiter Laser Facility at the Lawrence Livermore National Laboratory enabled probing for the first time the mechanical response of several promising High Entropy Alloys at times on the order of nanoseconds (strain rates of ∼10 7 and ∼10 9 s −1 ). The measured strength is in the range of 6 to 10 GPa, ten times the quasistatic value. The mechanisms of plastic deformation and failure were identified and quantified through analysis and molecular dynamics simulation. The reflected wave amplitudes, obtained by VISAR, were used to determine the tensile (spall) stress. The high tensile strength obtained is due to two factors: the strain-rate dependence of plastic flow and the kinetics of void nucleation, growth, and coalescence. The experimental results are compared with an analytical prediction considering both grain-interior and grain-boundary void initiation. Molecular dynamics simulations, conducted at strain rates of 10 8 and 10 9 s −1 , rationalize the experimental results. In conclusion, they provide valuable information about the process of failure evolution, and reveal that grain boundary separation plays a pivotal role in spalling.

Materials science↗

A diffusion–deformation model with damage for polymer undergoing rapid decompression failure

Green hydrogen is emerging as one of the most promising alternatives to replace fossil fuels. While hydrogen gas has a good energy density by weight, its poor energy density by volume requires it to be stored under high pressure for commercial use. The hydrogen infrastructure developed to handle this high pressure hydrogen contains multiple components made of polymers as sealing agents. Although polymers do not react chemically with hydrogen gas, they undergo a mechanical failure when high pressure hydrogen gas is suddenly depressurized. This phenomenon known as 'rapid decompression failure' occurs due to the diffusion of hydrogen through polymer and getting trapped inside pre-existing cavities or voids. Here, in this paper, a continuum mechanics-based coupled diffusion-deformation-damage model was developed to predict the hydrogen distribution, stress distribution, and damage propagation inside the polymer while it undergoes rapid decompression failure. The polymer was modeled as a hyperelastic material because it represents the nonlinear material response observed in uniaxial tensile tests perfectly. The effects of hydrogen diffusivity, pre-existing cavity size, cavity location, applied hydrogen pressure, and depressurization rate on damage initiation were studied. It was found that the coefficient of diffusion plays an important role in damage initiation and damage was mostly concentrated in the inside areas rather than near the surface. Experiments were conducted with EPDM polymer which agreed well with the predicted trends using the given model. The effect of adding carbon black and silica filler particles and plasticizer to the pure EPDM polymer was also studied. It was found that damage during RDF decreases with the addition of fillers, but increases with the addition of the plasticizer. Finally, the damage evolution in the presence of two cavities was also studied, and was found that the interaction of stress fields around the cavities alters the damage occurring during RDF.

36 MATERIALS SCIENCE↗

Large-scale additive manufacturing of self-heating molds

Large-scale material extrusion additive manufacturing technology is becoming the new mainstream technology for scaled-up composite mold and die applications. This paradigm shift in composite processing technology is primarily driven by out-of-autoclave tooling applications, in which fiber reinforced composite molds with scaled-up sizes and embedded heating elements are attractive. The present research describes the design, manufacturing, and testing of self-heating composite molds fabricated via a large-scale pellet extrusion 3D printing machine with an integrated wire co-extrusion tool. Polycarbonate (PC) composites reinforced with carbon fiber (PC/CF; 20 wt.%) and glass fiber (PC/GF; 20 wt.%) were used to fabricate mold parts. Joule heating thermal test results showed that uniform temperatures (~100 °C) were achieved for both PC/CF and PC/GF mold surfaces, using a custom-made feedback control power supply and infrared thermography. Mechanical characterizations, including tensile and flexural testing were performed on the wire-embedded and un-wired PC/CF and PC/GF base specimens to investigate the impact of the fiber reinforcement as well as the embedded wires. In the direction of extrusion, the ultimate tensile stress of PC/CF was 105 MPa, and that of PC/GF was 73 MPa, while the neat PC value was 64 MPa. Inner-bead voids and interfacial gaps were observed and characterized via optical and scanning electron microscopy. The embedded wires and inner bead impacted the mechanical properties of the composites. Furthermore, the stiffness of the wire-embedded mold was still satisfactory, proving that the technology can be used to fabricate additively manufactured out-of-oven/autoclave molds.

36 MATERIALS SCIENCE↗

Fast Organic Vapor Phase Deposition of Thin Films in Light-Emitting Diodes

Fast deposition of thin films is essential for achieving low-cost, high throughput phosphorescent organic light emitting diode (PHOLED) production. In this work, we demonstrate rapid and uniform growth of semiconductor thin films by organic vapor phase deposition (OVPD). A green PHOLED comprising an emission layer (EML) grown at 50 Å/s with bis[2-(2-pyridinyl-N)phenyl-C](acetylacetonato)iridium(III) (Ir(ppy)2(acac)) doped into 4,4 bis(N-carbazolyl)-1,1zolylld (CBP) exhibits a maximum external quantum efficiency of 20 ± 1%. The morphology, charge transport properties, and radiative efficiency under optical and electrical excitation of the PHOLED EML are investigated as functions of the deposition rate via both experimental and theoretical approaches. The EML shows no evidence for gas phase nucleation of the organic molecules at deposition rates as high as 50 Å/s. However, the roll-off in quantum efficiency at high current progressively increases with deposition rate due to enhanced triplet-polaron annihilation. The roll-off results from accumulation of stress within the PHOLED EML that generates a high density of defect states. Here, the defects, in turn, act as recombination sites for triplets and hole polarons, leading to enhanced triplet-polaron annihilation at high current. We introduce a void nucleation model to describe the film morphology evolution that is observed using electron microscopy.

42 ENGINEERING↗

A mechanistic damage model for solid oxide fuel cell ceramic materials - Part I: Constitutive modeling

A multiscale mechanistic damage model for solid oxide fuel cell (SOFC) ceramics that combines micromechanics of stiffness reduction due to material porosity change and microcracking with a continuum damage mechanics (CDM) description for the evolution of microcracks up to fracture is developed in this work. The model also accounts for volumetric swelling of the anode due to redox cycling. Porosity change and swelling during redox combined with normal operating thermomechanical loads could increase the stress, strain and damage distributions in SOFC stacks leading them to failure. The proposed model involves three governing parameters: (i) the porosity in terms of the pore or void volume fraction, (ii) material swelling magnitude prescribed at a given loading step, and (iii) the damage variable that describes microcracking caused by thermomechanical loads and swelling. Pores and microcracks in the ceramics are modeled as randomly distributed ellipsoidal inclusions with negligible stiffness by an Eshelby-Mori-Tanaka formulation combined with an inclusion orientation distribution method. Microcracking damage evolution is described by a CDM formulation. Volumetric swelling is treated in a similar way to thermal expansion in the constitutive relations. After validation and numerical checks, the damage model is used to analyze a simplified SOFC positive-electrode/electrolyte/negative-electrode (PEN) structure subjected a redox cycle in addition to thermomechanical loads experienced during normal operation of a SOFC stack.

30 DIRECT ENERGY CONVERSION↗

A Morphologically Stable Li/Electrolyte Interface for All-Solid-State Batteries Enabled by 3D-Micropatterned Garnet

Morphological degradation at the Li/solid-state electrolyte (SSE) interface is a prevalent issue causing performance fading of all-solid-state batteries (ASSBs). To maintain the interfacial integrity, most ASSBs are operated under low current density with considerable stack pressure, which significantly limits their widespread usage. In this work, a novel 3D-micropatterned SSE (3D-SSE) that can stabilize the morphology of the Li/SSE interface even under relatively high current density and limited stack pressure is reported. Under the pressure of 1.0 MPa, the Li symmetric cell using a garnet-type 3D-SSE fabricated by laser machining shows a high critical current density of 0.7 mA cm –2 and stable cycling over 500 h under 0.5 mA cm –2 . This excellent performance is attributed to the reduced local current density and amplified mechanical stress at the Li/3D-SSE interface. These two effects can benefit the flux balance between Li stripping and creep at the interface, thereby pre-venting interfacial degradation such as void formation and dendrite growth.

3D-micropatterned garnet↗

Effect of surface defects on damage and failure of dynamically driven cylindrical shells

Here, in this work, expanding cylinder experiments are performed using a gas gun on the aluminum 6061 alloy to understand the dynamic deformation and failure behavior of this material in the presence of surface defects in the form of scratches. The experiments are then modeled with the modified Tepla (for tensile plasticity) model, which is equipped with the damage yield function of Gurson [“Continuum theory of ductile rupture by void nucleation and growth: Part I—Yield criteria and flow rules for porous ductile media,” (1977)] and Tvergaard and Needleman [Acta Metall. 32(1), 157–169 (1984)], over-stress viscosity [F. Addessio and J. Johnson, J. Appl. Phys. 74(3), 1640–1648 (1993)], and the underlying viscoplastic model of Preston et al. [J. Appl. Phys. 93(1), 211–220 (2003)] (Preston–Tonks–Wallace model) for the dense material. The Tepla model parameters were calibrated using the Bayesian approach against experimentally measured free-surface velocity data obtained from plate impact experiments on the aluminum 6061 alloy. The evolution of radial expansion and shapes of the deformed cylinder from the simulations on a pristine cylinder wall and a cylinder wall with a longitudinal surface defect shows excellent agreement with the corresponding experimental results. Finally, the role of surface defect size and cylinder wall geometry on the dynamic strength of the cylinder wall was also investigated through a series of simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Atomistic Modeling of Irradiation-Induced Defects and Clusters in Additively-Manufactured Austenitic Stainless Steel

Understanding the progression of irradiation-induced defects in real materials and alloys requires insight into the interaction between point defects, defect clusters, and the existing microstructure. This is particularly true when it comes to additively manufactured (AM) materials with complicated microstructures and residual stresses. In this work, we employ molecular dynamics (MD) to simulate the creation of point defects via primary radiation damage modeling and point defect interactions with extended defects such as voids and dislocations using simplified but representative alloy compositions. We analyze the effect of alloying elements on the formation energies of the defect clusters and measure interactions such as sink strengths and binding energies. This study provides insight into the unique behaviors of irradiation damage in AM materials and information necessary to bridge the gap in length and time scales to connect the atomistic behavior of defects to longer length scale simulations such as cluster dynamics.

36 MATERIALS SCIENCE↗

040226_AnnularFuel_FuelPerformance_LRSv2

This slide deck summarizes a comparative fuel performance assessment of four annular fuel concepts for pressurized water reactor applications against a reference 17×17 fuel design. Overall, annular fuel geometry improves several key thermal-mechanical performance metrics, with the large-annulus configuration providing the most favorable balance of benefits. Relative to the reference design, annular fuel reduces peak fuel temperature by lowering thermal resistance through a thinner fuel pellet and smaller heat-conduction path. At the same time, the reduced fuel volume raises local burnup and correspondingly increases fission gas release. Despite this, rod internal pressure at end of life decreases because the annular geometry provides greater internal void volume. Annular designs also tend to delay fuel-cladding gap closure, although this advantage diminishes in thin-gap configurations where the smaller initial gap accelerates closure. Similarly, hoop stress and hoop strain are generally reduced for annular fuel, but both increase as the initial gap becomes smaller, indicating a potential cladding integrity concern for thin-gap designs. Corrosion performance shows no meaningful variation among the concepts considered. Taken together, the results indicate that annular fuel can offer significant performance advantages in a PWR environment, with large-annulus designs emerging as the strongest candidate while thin-gap geometries introduce more challenging mechanical margins.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Review of the Effects of Polymer Binder Properties on Microstructure and Irreversible Volume Growth of Plastic Bonded Explosives Formulations

The rational design of effective polymeric binders for the formulation of plastic-bonded explosives (PBX) is challenging due to their inherent compositional complexity. The composites comprise irregularly shaped energetic material (EM) powders coated with low weight fractions of polymer via non-equilibrium processes such as slurry coating. Defects can deleteriously affect PBX stability and performance: nano- to micrometer-scale voids can act as loci for hot spots, lowering deflagration and detonation temperatures in unpredictable ways. Furthermore, some nominally desirable polymer properties are at odds with each other: e. g. good flow characteristics are desirable for coating and adhesion, but mechanical stiffness is needed to prevent deformation and cracking of PBX under mechanical stress. Good binder adhesion is critical, but the best means to predict and measure adhesion in PBX is not obvious. Experimental methods of determining binder adhesion on model surfaces may not capture polymer structural configurations relevant to deposition during coating. Molecular dynamics-based computational models have predicted key observables in PBX formulation, suggesting that they may be powerful tools for binder selection. In this review, primarily recent (~2006 and later) literature on polymeric binders for insensitive HE (IHE) is surveyed. We focus on how binder properties influence observable PBX properties as resistance to irreversible volume growth and void formation in PBX formulations mainly (but not exclusively) featuring 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as the EM (e. g. PBX 9502, LX-17 and others). Conclusions from these studies yield useful guidelines for choosing HE binder candidates, as well as for the general design of highly-filled polymer composite materials. Finally, studies describing challenges in PBX formulation with the newer and more energetically dense high explosive, LLM-105, will be discussed.

adhesion↗