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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Wide-blocky veins explained by dependency of crystal growth rate on fracture surface type: Insights from phase-field modeling

Vein microstructures contain a wealth of information on coupled chemical and mechanical processes of fracturing, fluid transport, and crystal growth. Numerical simulations have been used for exploring the factors controlling the development of vein microstructures; however, they have not been quantitatively validated against natural veins. Here we combined phase-field modeling with microtextural analysis of previously unexplained wide-blocky calcite veins in natural limestone and of the fresh fracture surface in this limestone. Results show that the wide-blocky vein textures can only be reproduced if ~10%–20% of crystals grow faster than the rest. This fraction corresponds to the amount of transgranularly broken grains that were observed on the experimental fracture surfaces, which are dominantly intergranular. We hypothesize that transgranular fractures allow faster growth of vein minerals due to the lack of clay coatings and other nucleation discontinuities that are common along intergranular cracks. Our simulation results show remarkable similarity to the natural veins and reproduce the nonlinear relationship between vein crystal width and vein aperture. This allows accurate simulations of crystal growth processes and related permeability evolution in fractured rocks.

Geology↗
DOE OSTI2022

Realizing crack-free high-aluminum-mole-fraction AlGaN on patterned GaN beyond the critical layer thickness

Wide-bandgap III-nitride heterostructures are required for a variety of device applications. However, this alloy system has a large lattice constant and thermal expansion coefficient mismatch that limits the alloy composition and layer thickness for many heteroepitaxial device structures. Consequently, various methods have been devised to allow the heteroepitaxial growth of AlInGaN heterostructures to accommodate this inherent strain. In this work, we describe a non-planar-growth approach that enables the deposition of crack-free high-Al-mole-fraction Al x Ga 1-x N on patterned GaN/sapphire templates and bulk GaN substrates with large-area mesas. We have studied the effects of the patterned mesa width, the mesa etch depth, and the gap between the mesas on the heteroepitaxy of Al x Ga 1-x N superlattices with an average Al molar fraction 0.11 < x¯ < 0.21 and non-planar overgrowth growth thicknesses up to 3.5 μm. Similar to the planar growth approach, increasing the thickness and Al mole fraction of the Al x Ga 1-x N superlattices leads to surface cracking when exceeding the critical layer thickness. However, limiting the mesa dimension in one direction enables strain mitigation and drastically increases the critical layer thickness. Additionally, larger etch depths of the mesas increase the Al alloy composition and thickness for crack-free AlGaN heteroepitaxy whereas the gap in between the mesas seems to have no crucial influence. We demonstrate that the Al alloy composition and layer thicknesses of such heterostructures can be increased far beyond the critical layer thickness for planar growth and demonstrate the growth of a crack-free full AlxGa 1-x N/GaN quantum-well laser heterostructure designed for operation at ~370 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Geometrical effects on the measured neutron residual stress in additively manufactured cold spray AA6061

Aluminum cold spray additive builds were made with varying wall widths and geometries to explore the effects of build geometry on residual stress development in the additively sprayed material. Deposition rates of over 750 g/hr were achieved without any cracking or delamination of the additively manufactured components. Neutron residual stress measurements revealed a maximum tensile residual stress of 41 MPa at the interface of the substrate and a maximum compressive residual stress of −35 MPa in the cold sprayed material. While there was not found to be significant residual stress changes between the cold sprayed walls, the cold sprayed cylinder had varying residual stress throughout the diameter with the outer diameter having a higher tensile residual stress than the interior. The low residual stress and minimal geometrical dependency demonstrate further part size is possible without concerns for component failure in AA6061. The application of common coating residual stress models to full scale additive builds is evaluated and discussed. The lack of residual stress evolution was studied by in-situ coating property measurement that revealed that the deposition stress of the AA6061 sprays reduced with increased layer thickness. In conclusion, this study provides insight into the evolution of residual stress in cold spray additive components and how both the mechanics and material responses differ from coatings.

Additive manufacturing↗
DOE OSTI2024

Dislocation channel broadening–A new mechanism to improve irradiation-assisted stress corrosion cracking resistance of additively manufactured 316 L stainless steel

Additively manufactured (AM) 316 L stainless steel (SS) after hot isostatic pressing (HIP) was found to exhibit superior resistance to irradiation-assisted stress corrosion cracking (IASCC) in high-temperature water, as compared to wrought 316 L SS. The well-accepted IASCC factors of radiation-induced segregation (RIS) and radiation hardening are not accurate descriptions of IASCC susceptibility in this case. A decreased strain localization along grain boundaries, caused by dislocation channel broadening, was confirmed to suppress crack initiation. A unique distribution of irradiation-induced defects in HIP AM 316 L SS eased dislocation cross-slip compared to those in the wrought counterpart, thus increasing the channel width near the grain boundaries. Here for the first time, this study highlights the importance of dislocation channel broadening as a potential mechanism to further improve the IASCC resistance of 316 L SS and provides direct experimental evidence based on commercial-grade materials.

316L stainless steel↗
DOE OSTI2021

Understanding geopolymer binder-aggregate interfacial characteristics at molecular level

The interfacial characteristics of geopolymer binder to aggregate composites are poorly understood, especially at molecular level. Herein, molecular models are developed to study, for the first time, the geopolymer-aggregate interface. Chemically, various forms of interfacial bonding are characterized, including Al-O-Si bonding through condensation reactions, NaO and H-bonding. An atomic-level interfacial transition zone (ITZ) is identified, attributed to the concentration of –OH groups. Increasing the Si/Al ratio of geopolymer is found to decrease the ITZ density, but have limited effect on the ITZ width. A heterogeneous diffusion characteristic occurs in geopolymer, due to the weak interfacial interaction. Mechanically, lowering the Si/Al ratio promotes the interfacial strength due to the stronger interfacial interaction and higher cross-linking degree in geopolymer. Under loading the interfacial fracture undergoes three stages: crack propagation, chain bridging (including aluminosilicate and ionic bridging) and breakage. The above atomic-level findings may facilitate a better design of geopolymer concrete in engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis of Deformation and Fracture Mechanisms in the Harvested High-Dose Baffle-Former Bolt with Stress-Corrosion Cracks Formed While in Service

This report presents the results of advanced mechanical testing conducted on miniature tensile specimens excised from an irradiated baffle-former bolt, a commercial pressurized water reactor component. The specimens were extracted from the midsection of the bolt shank, where the estimated damage dose reached 23 displacements per atom. The mechanical testing included the following tests: (1) conventional tensile testing at room temperature, augmented by digital image correlation (DIC) to enable noncontact strain measurements, and (2) in situ tensile testing within a scanning electron microscopy (SEM) instrument equipped with energy-dispersive x-ray spectroscopy (EDS) and electron backscatter diffraction (EBSD) detectors to evaluate active deformation and fracture mechanisms. Additionally, SEM fractographic analysis revealed alterations in the fracture mechanism from a predominantly ductile fracture in nonirradiated steel to a mixed fracture mode (still dominating ductile and minor cleavage spots) in irradiated specimens derived from the baffle bolts. The findings indicate a complex strain localization behavior for in-service irradiated steel specimens. Beyond conventional necking at the macro scale and defect-free channel formation at the micro scale, DIC results identified the presence of deformation bands approximately 100 μm in width. These bands consist of chains of grains exhibiting elevated local strain levels and may be considered an intermediate or mesoscale level of strain localization. These bands become discernible near the yield stress as localized hot spots, areas of elevated strain, persisting throughout most of the experiment. The formation of mesoscale deformation bands as a strain localization mechanism may exacerbate the defect-free channel formation in irradiated materials, further promoting irradiation-assisted stress corrosion crack initiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Capturing the fractocohesive length scale in elastomers through a statistical mechanics-based gradient enhanced damage model

Here, this study aims to examine modeling flaw sensitivity in elastomers. The direct incorporation of polymer chain statistical mechanics considerations into a continuum stretch-based gradient-enhanced damage formulation, in turn, allows a representation of diffuse chain damage and fracture events that align with known micromechanical mechanisms. Through a series of numerical experiments, we simulate crack propagation and extract the fracture energy as an output of the model, while keeping track of the micromechanical signatures of diffuse chain damage that accommodate fracture propagation and eventually influence flaw sensitivity. Finally, by combining the fracture toughness and the work to rupture, we identify a fractocohesive length of the material, corresponding to the full width of the damage process zone. As the damage-to-fracture cascade in the proposed GED model is influenced by the introduction of a length scale associated with network imperfection and long-range load transfer, the emerging relationship of the two length scales is discussed, providing a potential link between microscopic damage mechanisms and the observed macroscopic fracture response.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling hydraulic fracture opening and closure with proppant transport and settlement

Hydraulic fracturing is a widely used reservoir stimulation technique for improving fluid circulation in rock formations with extremely low permeability, particularly in enhanced geothermal systems (EGS). To better understand the complex processes involved and improve hydraulic stimulation performance, we have developed ELK (ELectrical fracKing), a MOOSE-based 3D finite element application designed to model the behavior of proppant-fluid mixtures in propagating fractures. ELK integrates both the fluid and proppant components, incorporating particle-driven processes such as gravity settling, particle-particle interactions, and strong density and viscosity contracts, in addition to conventional fluid-driven fracture propagation. In this contribution, we extend ELK to model propped fracture closure, which occurs after the injection phase due to a dramatic drop in the effective stress on the fracture plane. During the shut-in, flowback, and production periods, the fracture width decreases, with the closure behavior depending on proppant concentration.. At low concentrations, closure follows a nonlinear joint law linked to the stiffness of asperities in the fracture walls. While at high concentrations, it is controlled by the properties of packed proppant bed. The extended ELK application is validated against several benchmark examples, including the propagation of an inclined frictional crack, fracture opening and sliding in response to fluid injection, and flowback analysis. We believe that ELK’s enhanced capabilities can serve as a valuable tool for the design and optimization of EGS deployment.

15 - GEOTHERMAL ENERGY↗
DOE OSTI2020

Dispersion of cryogenic hydrogen through high-aspect ratio nozzles

Liquid hydrogen is increasingly being used as a delivery and storage medium for stations that provide compressed gaseous hydrogen for fuel cell electric vehicles. In efforts to provide scientific justification for separation distances for liquid hydrogen infrastructure in fire codes, the dispersion characteristics of cryogenic hydrogen jets (50–64 K) from high aspect ratio nozzles have been measured at 3 and 5 bar abs stagnation pressures. These nozzles are more characteristic of unintended leaks, which would be expected to be cracks, rather than conventional round nozzles. Spontaneous Raman scattering was used to measure the concentration and temperature field along the major and minor axes. Within the field of interrogation, the axis-switching phenomena was not observed, but rather a self-similar Gaussian-profile flow regime similar to room temperature or cryogenic hydrogen releases through round nozzles. The concentration decay rate and half-widths for the planar cryogenic jets were found to be nominally equivalent to that of round nozzle cryogenic hydrogen jets indicating a similar flammable envelope. The results from these experiments will be used to validate models for cryogenic hydrogen dispersion that will be used for simulations of alternative scenarios and quantitative risk assessment.

08 HYDROGEN↗
DOE OSTI2025

Dislocation nano-hydrides in nickel: Nucleation, evolution and effects on dislocation behaviors

Nano-hydrides have been predicted to precipitate at the core of edge dislocations in the Ni-H system, a mechanism that may promote hydrogen embrittlement. However, nano-hydride nucleation, growth, and effects on dislocation behavior have seldom been explored. This work combines molecular dynamics grand canonical Monte Carlo (MD-GCMC) simulations and continuum modeling to uncover a wide range of phenomena linked to dislocation nano-hydrides. Simulations reveal that nano-hydrides can be stabilized at dislocation cores with all character angles, including screw segments, due to the hydrostatic stresses around the cores of the Shockley partials. Nano-hydride nucleation takes place in these regions, and growth is dictated by the character angle θ of the perfect dislocation. The equilibrium stacking fault width d eq varies dynamically to increase the local hydrostatic stress field and facilitate the formation of the nano-hydride, forming a constriction-like feature and leading to three distinct behaviors: d eq decreases for θ > 30°, d eq remains unchanged for θ = 30°, and d eq increases for θ < 30°. Remote hydrostatic and Escaig stresses are also shown to influence the nucleation stage, implying stress concentrations such as those ahead of crack tips may facilitate nano-hydride precipitation. Moreover, we identify a new hydrogen-induced 60° dislocation reaction that emits a Shockley partial on a conjugate plane, with potential implications for twin nucleation. Testable predictions from this study are then used to reinterpret previous results from the literature. In conclusion, these findings provide a comprehensive framework to assess nano-hydride formation and evolution at dislocations in nickel and other face-centered cubic metals, with important implications to hydrogen embrittlement.

Dislocations↗
DOE OSTI2021

Burst characteristics of advanced accident-tolerant FeCrAl cladding under temperature transient testing

Here assessment of burst characteristics of accident-tolerant fuel (ATF) claddings is essential to evaluate the safety margins of nuclear reactors, and better understanding can enable accelerated licensing for reactor concepts that include the new materials. Therefore, this study investigated the burst behavior of an ATF candidate of C26M, which is an iron–chromium–aluminum alloy (FeCrAl) under transient testing like the simulated loss-of-coolant accident (LOCA) conditions, except the water-quenching phase, in light-water reactors (LWRs). The effect of LOCA specimen length was assessed in terms of post-burst tube parameters. No critical length effect was determined on the burst pressure, burst location, and burst size measurements. Burst temperature showed larger variation likely due to its measurement approach used in this study. The post-test diametral strain was identified as the critical parameter to reduce the specimen length as compared to tube burst length or width. Postmortem optical metrology and digital image correlation were employed to determine the local strain-state during the simulated LOCA, which showed the loading path was close to equibiaxial conditions in regions away from the burst location, rather than internally pressurized conditions (or “plane-strain” tension). Pst-test microstructural characterizations of the FeCrAl revealed that ductile damage was present at the edge of the outer radial surface while the rest of the material was ruptured via cleavage at LOCA burst temperatures. Furthermore, internal grain boundary cracks were observed at locations away from the tube burst region. This behavior was considered to occur during the cooling down period of the simulated LOCA test. Overall, this study aimed to provide essential data for fuel performance code development by considering micromechanics of the deformation and failure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Low-loss superconducting titanium nitride grown using plasma-assisted molecular beam epitaxy

Titanium nitride (TiN) is a known superconducting material that is attractive for use as passive components in superconducting circuits for both conventional and quantum information devices. In contrast to conventional synthesis techniques, here, plasma-assisted molecular beam epitaxy is reported to produce high-quality TiN on bare silicon wafers. Using a rf-plasma source to crack the nitrogen molecules and a conventional high-temperature effusion cell for titanium, TiN growth is completed under nitrogen-rich conditions. The growth and nucleation is monitored in situ, while the structure and composition are characterized using x-ray diffraction, atomic force microscopy, x-ray photoelectron spectroscopy, secondary ion mass spectroscopy, and scanning transmission electron microscopy. The stoichiometric TiN (111) films sit on an amorphous nitride layer with low impurity concentrations. The films superconduct with Tc=5.4 K, and coplanar waveguide resonators are fabricated with a small center width of 6 μm that demonstrate single-photon quality factors approaching 1M and high-power quality factors over 5M without observing saturation.

Richardson, C. J. K. (ORCID:0000000188175347)↗
DOE OSTI2020

GPR Robotic Assisted Non-Destructive Evaluation of Concrete Structures - 20196

Reinforced concrete structures are always under exposure of internal or external deteriorations due to many factors such as environmental, nuclear radiation or even construction deficiencies. The use of nondestructive test is one of the reliable methods to inspect structural members. In this case, GPR has a good capability to detect inside deteriorations of concrete structures. However, in many cases it is hard to inspect structural members by hand due to safety issues or inaccessibility. Thus, an alternative way to reduce such risks is to employ robot to carry nondestructive equipment. In this research, twelve reinforced concrete RC beams (8 x 16 x 96, width, height and length) are cast in the lab. Three RC beams have no defect and nine others various defects such as corrosion, de-bonded bars, void, delamination and honeycombing. The one-point load is applied at the center of the RC beam. The loading level is carried out at three levels: 50%, 75% and 100% of maximum load and total load-displacement diagram are performed. The load is held at each level and the robotic GPR is used to scan the side of RC beams. Then, RADAN software is employed to find out any defects at different loading conditions and visualize the crack propagation. The RADAN results show that the pattern of crack propagation for corrosion and debonding are same. Also, the load-displacement results present that inside defect cause reduction of load-capacity of RC beam. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Microstructure-Sensitive modeling of surface roughness and notch effects on extreme value fatigue response

Fatigue life knockdown due to surface roughness induces local stress concentrations. Physical fatigue experiments are crucial to qualify materials for use but are limited in their capability to examine the mechanisms underlying the fatigue crack formation driving force due to these stress concentrations. Microstructure-sensitive computational models can aid in this regard and are employed in this work to examine the effects of surface roughness in Al 7075-T6. Digital microstructure models are subjected to crystal plasticity finite element method (CPFEM) simulations to examine the combined effects of microstructure and grain scale asperities on the driving force for fatigue crack formation. Following elastic–plastic shakedown, mesoscale volume-averaged fatigue indicator parameters (FIPs) are computed within fatigue damage process zones of grains. An increase in the intensity of realistic surface roughness profiles corresponds accordingly to larger FIPs but it is difficult to precisely interpret the mechanisms and effects of this intensification. We thus parametrically investigate surface asperities that couple with microstructure and lack of constraint on slip at the free surface to describe microstructure-sensitive surface roughness knockdown effects on fatigue resistance. The depth of a single valley (i.e., notch) due to surface roughness is found to be more detrimental to fatigue resistance than the radius (i.e., notch width, not to be confused with notch acuity). Finally, we also find that different crystallographic textures, grain morphologies, and number of sampled grains have a limited effect on the depth of influence of these notches.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhanced critical axial tensile strain limit of CORC ® wires: FEM and analytical modeling

Abstract Conductor on Round Core (CORC ® ) cables and wires are composed of spiraled high-temperature superconducting (HTS) rare-earth barium copper oxide (REBCO) tapes, wound in multiple layers, and can carry very high currents in background magnetic fields of more than 20 T. They combine isotropic flexibility and high resilience to electromagnetic and thermal loads. The brittle nature of HTS tapes limits the maximum allowable axial tensile strain in superconducting cables. An intrinsic tensile strain above about 0.45% will introduce cracks in the REBCO layer of straight HTS tapes resulting in irreversible damage. The helical fashion at which the REBCO tapes are wound around the central core allows tapes to experience only a fraction of the total axial tensile strain applied to the CORC ® wire. As a result, the critical strain limit of CORC ® wires can be increased by a factor of more than 10 that of REBCO tapes. Finite element (FE) and analytical models are developed to predict the performance of CORC ® wires under axial tensile strain. A parametric analysis is carried out by varying the winding angle, the Poisson’s ratio of the CORC ® wire core, the core diameter, and the tape width. The results show that a small variation in winding angle can have a significant impact on the cable’s axial tensile strain tolerance. While the radial contraction of the helically wound tapes in a CORC ® wire under axial tensile strain depends on its winding angle, it is mostly driven by the Poisson’s ratio of the central core, affecting the tape strain state and thus its performance. Contact pressure from multiple layers within the CORC ® wire also affects the CORC ® wire performance. The FE model can be used to optimize the cable design for specific application conditions, resulting in an irreversible strain limit of CORC ® cables and wires as high as 7%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dating fractures using luminescence

Rock fracturing (cracking) is a universal process that drives and limits chemical degradation, sediment production and erosion, and deterioration of infrastructure. Despite extensive research gains in rock mechanics on one hand and geochronology on the other, there remains a glaring gap in our ability to understand the long term evolution of natural, in situ fractures. Here we develop a novel fracture exposure dating technique, grounded in modern advances in luminescence geochronology. We apply our new dating method to a granitic boulder from a glacial outwash terrace in California, US. We conclude that the longest, clast-splitting E-W fracture appeared shortly after the boulder's deposit, whereas the secondary N-S fracture appeared 5 ka after the deposition, approximately correlating with the Last Glacial Maximum and Younger Dryas periods of the region, respectively. However, dating of the third fracture (<< 50 µm width) which does not fully split the rock, is ambiguous due to negligible daylight penetration and poor determination of fracture width. The fracture dating method presented herein brings with it the potential to decipher relationships that are crucial for the interpretation and modeling of, for example, long-term landscape and atmospheric evolution relating rock weathering to climate change and erosion.

58 GEOSCIENCES↗
DOE OSTI2025

Implementation of compound refractive lenses for large field-of-view x-ray phase-contrast imaging during hypervelocity impact experiments

Synchrotron x-ray phase-contrast imaging (XPCI) offers time-resolved visualization of dynamic compression phenomena, but its intrinsically small field-of-view (FOV) limits the time that key features remain in frame. A novel approach to enlarge the FOV is achieved by positioning a two-dimensional parabolic compound refractive lens (CRL) upstream of the sample to deliberately defocus the white beam. Ray-tracing simulations and XPCI measurements show that this CRL configuration can expand the beam by ∼50% vertically and ∼15% horizontally based on the full width at half-maximum of the beam. Implementing the CRL, however, attenuates the photon flux and lowers signal-to-noise ratio (SNR). Task-based analysis using a calibration grid (30 μm dots) showed that both setups fail to consistently meet the Rose criterion (SNR ≥ 5) for features of this size in single-bunch imaging. Extrapolating the measured SNR Rose values suggests that the minimum consistently detectable feature lies closer to 30–40 μm for the standard XPCI setup and above 40 μm for CRL-XPCI. Despite this limitation, the CRL configuration nearly doubles the illuminated area, enabling simultaneous tracking of front and rear observations of boron carbide targets subjected to rod and sphere impacts at 1.0–2.6 km/s. Image tracking algorithms and photonic Doppler velocimetry were used to measure penetration and rear-surface velocity histories. Together, these measurements capture crack fronts, penetration, and material breakout, offering new benchmark data for validating high-strain-rate constitutive models of ceramic materials.

Ceramic materials↗