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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Porosity evolution under increasing tension in wire-arc additively manufactured aluminum using in-situ micro-computed tomography and convolutional neural network

Internal defects such as porosities are often formed in additively manufactured metal components. The pores nucleate, grow, and coalesce to form cracks under loads, leading to eventual catastrophic failure. Here, in this paper, the full-field porosity evolution, including pore growth and coalescence in a wire-arc additively manufactured (WAAM) aluminum alloy cylinder under tension is observed with in-situ X-ray micro-computed tomography (μCT). The pore size distribution, density, and tensile stress are calculated from the volumetric images analyzed by a convolutional neural network (CNN) algorithm, which provides rapid analysis of 12,950 slice images from μCT volumetric images at the reference state and 13 tensile strains. The results show the quantitative evolution of the growth and coalescence of macropores under tension. A strong correlation is found between the local pore volume fraction and the true tensile stress when the tensile strain is larger than 5%.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design of heterogeneous structured Al alloys with wide processing window for laser-powder bed fusion additive manufacturing

Required microstructural attributes of an alloy vary with structural applications. The microstructural fine-tuning capability of laser-powder bed fusion (L-PBF) additive manufacturing (AM) enables application specific manufacture of the components. Such manufacture with L-PBF AM requires alloys that exhibit wide processing window and are amenable to multiple deformation mechanisms. However, high hot cracking susceptibility of Al alloys poses a barrier to such printability-performance synergy. In this work we show that an integration of, a) grain refinement through heterogeneous nucleation, and b) eutectic solidification, leads to crack-free parts at wide range of process parameters, microstructural heterogeneity, and hierarchy in the Al-Ni-Ti-Zr alloy. Such an integration targets hot cracking at multiple stages of solidification in L-PBF as opposed to the contemporary alloy design strategies that target hot-cracking at only specific stages of solidification. The Al-Ni-Ti-Zr alloy exhibits excellent printability and a high as-built tensile performance. Due to the wide processing window and amenability to multiple deformation mechanisms, the alloy microstructure and subsequently the performance, can be fine-tuned. Here, such strategy opens the gateway for application-specific manufacture of Al alloys with L-PBF AM and establishes a fundamental shift in current methodologies for design of these alloys for L-PBF AM.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Why large earthquakes do not nucleate at shallow depths

Spontaneous rupture models were examined to determine if gradients of average stress-drop and average strength relative to ambient stress account for earthquake nucleation near the base of the seismogenic layer. The frictional strength has been proved to increase with normal stress, which (across a fault) increases with depth in concert with the frictional strength. It is assumed that the large earthquakes occur at a time when the applied stress is equal to the frictional strength. A gradient has been found in frictional strength relative to the ambient stress and the stress-drop with depth. Attention is given to two cases where a circular crack appears, and radiates outward. It is shown that nucleation in the lower part of the seismogenic region will permit growth into a large earthquake, while nucleation in the lower stress-drop regime will encapsulate the crack. It is concluded that only cracks propagating in a high stress-drop regime can move easily into a relatively lower strength region.

Das, S.↗
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↗
NASA NTRS1987

Devitrification and delayed crazing of SiO2 on single-crystal silicon and chemically vapor-deposited silicon nitride

The linear growth rate of cristobalite was measured in thin SiO2 films on silicon and chemically vapor-deposited silicon nitride. The presence of trace impurities from alumina furnace tubes greatly increased the crystal growth rate. Under clean conditions, the growth rate was still 1 order-of-magnitude greater than that for internally nucleated crystals in bulk silica. Crystallized films cracked and lifted from the surface after exposure to atmospheric water vapor. The crystallization and subsequent crazing and lifting of protective SiO2 films on silicon nitride should be considered in long-term applications.

Choi, Doo Jin↗
DOE OSTI2022

Identifying the microstructural features associated with void nucleation during elevated–temperature deformation of copper

The microstructural-scale mechanisms that produce cracks in metals during deformation at elevated temperatures are relevant to applications that involve thermal exposure. Prior studies of cavitation during high-temperature deformation, for example, creep, suffered from an inability to directly observe the microstructural evolution that occurs during deformation and leads to void nucleation. Here the current study takes advantage of modern high-speed electron backscatter diffraction (EBSD) detectors to observe cavitation in oxygen-free, high-conductivity copper in situ during deformation at 300°C. Most voids formed at the triple junction between a twin boundary and a high-angle grain boundary (HAGB). This finding does not contradict previous studies that suggested that twins are resistant to cracking—it reveals that cracks in HAGBs originate at twin/HAGB triple junctions and that cracks preferentially grow along HAGBs rather than the accompanying twins. Atomistic simulations explored the origins of this observation and suggest that twin/HAGB triple junctions are microstructural weak points.

36 MATERIALS SCIENCE↗
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 OSTI2025

Ductility mechanisms in complex concentrated refractory alloys from atomistic fracture simulations

The striking variation in damage tolerance among refractory complex concentrated alloys is examined through the analysis of atomistic fracture simulations, contrasting behavior in elemental Nb with that in brittle NbMoTaW and ductile Nb45Ta25Ti15Hf15. We employ machine-learning interatomic potentials (MLIPs), including a new MLIP developed for NbTaTiHf, in atomistic simulations of crack tip extension mechanisms based on analyses of atomistic fracture resistance curves. While the initial behavior of sharp cracks shows good correspondence with the Rice theory, fracture resistance curves reveal marked changes in fracture modes for the complex alloys as crack extension proceeds. In NbMoTaW, compositional complexity appears to promote dislocation nucleation relative to pure Nb, despite theoretical predictions that the alloy should be relatively more brittle. In Nb45Ta25Ti15Hf15, alloying alters the fracture mode compared to elemental Nb, promoting crack tip blunting and enhancing resistance to crack propagation.

Computational methods↗
DOE OSTI2022

The influence of pearlite fraction on the shock properties of ferrite–pearlite steel microstructures: Insight into the effect of second-phase particles

Here, the goal of this work is to investigate the effect of varying phase fractions on the overall spall strength and damage behavior of a material. Specifically, two plain carbon, ferrite–pearlite steels (1045 and A283) were subjected to spall recovery experiments to investigate the effect of pearlite fraction on spall strength and total damage. The A283 (20% pearlite) alloy exhibited a higher Hugoniot elastic limit and spall strength compared with 1045 (60% pearlite). Discontinuous and continuous yielding behaviors were observed at quasi-static and dynamic rates for A283 and 1045, respectively. The yielding behavior was connected to pearlite fraction and the prevalence of dislocation-emitting, ferrite/cementite interfaces. Postmortem characterization revealed cementite lamellae cracking within pearlite of 1045, suggesting that pearlite reduces spall strength by providing low-energy damage nucleation sites. The rate of damage growth and coalescence was similar between the two alloys; however, 1045 exhibited more continuous cracks than A283, which exhibited a greater prevalence of discrete voids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloy’s behavior differed from that of comparable systems by having fracture toughness over 253 MPa·m 1/2 , which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spall damage mechanisms in laser powder bed fabricated stainless steel 316L

This paper reports on spall damage mechanisms in laser powder bed fusion (LPBF) fabricated stainless steel 316L (SS316L) subjected to uniaxial, strain plate-impact loading and explores failure evolution with increasing impact velocity and peak pressure. Analysis of velocimetry profiles reveals a heterogeneous failure response with several different failure mechanisms activated during impact and resulting spall. The analysis is supported by optical microscopy and electron backscattered diffraction (EBSD) observation of soft recovered impacted samples, which show evidence of localized nano-twinning, twin growth, severe grain rotation, and grain refinement along the spall plane, in addition to pore nucleation, coalescence, and growth. Furthermore, the observed failure mechanisms, including crack formation and propagation along high angle grain boundaries (HAGBs), are not consistently indicative of ductile fracture typical of wrought stainless steel.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Visualizing Lithium Dendrite Formation within Solid-State Electrolytes

Solid-state electrolyte (SSE) is promising for application in allsolid-state lithium metal batteries because of its reliable safety and longevity. The failure of SSE to suppress dendrite formation of Li metal anodes has been conventionally explained by uneven Li deposition at Li/SSE interfaces and its subsequent dendritic growth. While Li deposition within SSE has been recently proposed as another key cause for SSE failure, little is known regarding the Li growth details inside the SSE itself. In this work, we performed in situ microscopic observation of Li deposition inside the SSE and obtained visualized evidence regarding the dynamic process of Li dendrite formation and growth. Here, Li is seen to directly nucleate and propagate within the SSE, leading to its structural cracking. Such behavior should be caused by the presence of P- and S-based crystalline defects in Li 3 PS 4 SSE, which is consistent with the cryo-transmission electron microscopy observations and theoretical calculations. This observation provides important insights into the growth mechanisms of Li dendrites within a working lithium battery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Intergranular fracture of lithium fluoride-22 percent calcium fluoride hypereutectic salt at 800 K

Substantial strain-hardening was noted during the initial stages of deformation in constant-velocity compression tests conducted on as-cast samples of the LiF-22 mol pct CaF2 hypereutectic salt at 800 K. The deformed specimens exhibited extensive grain-boundary cracking and cavitation, suggesting that such cracking, in conjunction with interfacial sliding, is important for cavity nucleation at grain boundaries and at the LiF-CaF2 interfaces. Cavity growth and interlinkage occur through the preferential failure of the weaker LiF phase.

Raj, Subramanium V.↗
DOE OSTI2020

Low-temperature failure mechanism of [001] niobium micropillars under uniaxial tension

The plasticity of body-centered cubic (bcc) metals is dependent of temperature as well as sample dimension at the micrometer scale, but the effects of cryogenic temperature on the plasticity and the related failure process in micron-sized bcc metals have not been studied under uniaxial tension. In this work, we utilized in situ cryogenic micro-tensile tests, transmission electron microscopy, and dislocation dynamic simulations to examine the plasticity and failure processes of [001]-oriented bcc niobium micropillars. Our study reveals that a strong suppression of cross-slip at low temperatures prevents dislocation multiplication and leads to a dislocation starvation state, at which no mobile dislocation exists due to the rapid annihilation of dislocations at free surfaces. New dislocations are then nucleated until stress concentration at a slip step creates a micro-crack, the propagation of which leads to catastrophic failure. As a result, this unique failure process results from the combined effects of sample dimension and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of a novel starch-based temperature rise inhibitor on cement hydration and microstructure development: The second peak study

Temperature rise inhibitor (TRI) modifies the exothermic process of cement hydration at early age and mitigates the buildup of cumulative heat, which sheds new light on solving the thermal cracking issue. After the main hydration peak, a broader “second peak” appears and brings the cumulative heat back to normal level within 7 days (for additions less than 0.15%). This study shows that the “second peak” can be attributed, almost exclusively, to C{sub 3}S hydration while triggered by C{sub 3}A hydration. In a pure C{sub 3}S system, the heat flow is depressed by TRI during the main hydration peak but never recovers after. In a monophase system composed of C{sub 3}S, C{sub 3}A and gypsum or a real cement paste, the ongoing precipitation of ettringite helps to pump out TRI polymer from the pore solution and eliminate the restriction on C-S-H nucleation. Afterwards, the precipitation of C-S-H accelerates again to form the “second peak”.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Real-Time Observation of Nanoscale Kink Band Mediated Plasticity in Ion-Irradiated Graphite: An In Situ TEM Study

Graphite IG-110 is a synthetic polycrystalline material used as a neutron moderator in reactors. Graphite is inherently brittle and is known to exhibit a further increase in brittleness due to radiation damage at room temperature. To understand the irradiation effects on pre-existing defects and their overall influence on external load, micropillar compression tests were performed using in situ nanoindentation in the Transmission Electron Microscopy (TEM) for both pristine and ion-irradiated samples. While pristine specimens showed brittle and subsequent catastrophic failure, the 2.8 MeV Au2+ ion (fluence of 4.378 × 1014 cm−2) irradiated specimens sustained extensive plasticity at room temperature without failure. In situ TEM characterization showed nucleation of nanoscale kink band structures at numerous sites, where the localized plasticity appeared to close the defects and cracks while allowing large average strain. We propose that compressive mechanical stress due to dimensional change during ion irradiation transforms buckled basal layers in graphite into kink bands. The externally applied load during the micropillar tests proliferates the nucleation and motion of kink bands to accommodate the large plastic strain. The inherent non-uniformity of graphite microstructure promotes such strain localization, making kink bands the predominant mechanism behind unprecedented toughness in an otherwise brittle material.

36 MATERIALS SCIENCE↗
NASA NTRS1977

The effect of microstructure and strength on the fracture toughness of an 18 Ni, 300 grade maraging steel

Fractography and metallographic sectioning were used to investigate the influence of microstructure and strength on the fracture toughness (KIc) and fracture mechanism of an 18 Ni, 300 grade maraging steel. Increased yield strength from 1442 to 2070 MN/m squared through precipitation hardening results in a KIc loss from 143 to 55 MN/m superscript 3/2. Ti (C,N) Ti2S, and TiC inclusions in sizes from 1 to 8, 1 to 15, and 0.1 to 2 microns respectively serve as sites for void nucleation and lead to fracture by the dimpled rupture process in all strength levels considered. TiC nucleated dimples occupy more than half the fracture in all conditions. Void nucleation rate and resultant number of dimples per unit area of fracture increase with increasing yield strength. Average dimple size decreases with increasing strength and/or overaging which follows from the decreasing amount of stable void growth measured by sectioning tensile specimens. Void growth is assisted by crack branching along a path of TiC inclusions. Coalescence occurs in the highest strength materials by a combination of TiC void nucleation and premature separation at strengthening precipitates.

Psioda, J. A.↗