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At least 19 records

Multiscale Modeling of Intergranular Fracture in Aluminum: Constitutive Relation For Interface Debonding

Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum-atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum-atomistic interface, and continues its propagation in the atomistic environment. This study is a step towards relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

Yamakov, V.↗

Deformation processes in forging ceramics

The deformation processes involved in the forging of refractory ceramic oxides were investigated. A combination of mechanical testing and forging was utilized to investigate both the flow and fracture processes involved. Deformation studies of very fine grain Al203 revealed an apparent transition in behavior, characterized by a shift in the strain rate sensitivity from 0.5 at low stresses to near unity at higher stresses. The behavior is indicative of a shift in control between two dependent mechanisms, one of which is indicated to be cation limited diffusional creep with significant boundary enhancement. The possible contributions of slip, indicated by crystallographic texture, interface control of the diffusional creep and inhomogeneous boundary sliding are also discussed. Additional experiments indicated an independence of deformation behavior on MgO doping and retained hot pressing impurities, at least for ultrafine grained material, and also an independence of test atmosphere.

Cannon, R. M.↗

Superhard Nanocrystalline Homometallic Stainless Steel on Steel for Seamless Coatings

The objective of this work is to deposit nanocrystalline stainless steel onto steel substrates (homometallic) for enhanced wear and corrosion resistance. Homometallic coatings provide superior adhesion, and it has been shown that ultrafine-grained materials exhibit the increased hardness and decreased permeability desired for protective coatings. Nanocrystals will be produced by controlling nucleation and growth and use of an ion beam during deposition by e-beam evaporation or sputtering. Phase I is depositing 31 6L nanocrystalline stainless steel onto 31 6L stainless steel substrates. These coatings exhibit hardnesses comparable to those normally obtained for ceramic coatings such ZrO2, and possess the superior adhesion of seamless, homometallic coatings. Hardening the surface with a similar material also enhances adhesion, by avoiding problems associated with thermal and lattice mismatch. So far we have deposited nanocrystalline homometallic 316L stainless steel coatings by varying the ions and the current density of the ion beams. For all deposition conditions we have produced smooth, uniform, superhard coatings. All coatings exhibit hardness of at least 200% harder than that of bulk materials. Our measurements indicate that there is a direct relationship between nanohardness and the current density of the ion beam. Stress measurements indicate that stress in the films is increasingly proportional to current density of the ion beam. TEM, XPS, and XRD results indicate that the coated layers consist of FCC structure nanocrystallites with a dimension of about 10 to 20 nm. The Ni and Mo concentration of these coating are lower than those of bulk 316L but the concentration of Cr is higher.

Tobin, Eric J.↗

Atomistic Cohesive Zone Models for Interface Decohesion in Metals

Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship characterizing the load transfer across the plane of a growing edge crack is extracted from atomistic simulations for use within a continuum finite element model. The methodology for the atomistic derivation of a cohesive-zone law is presented. This procedure can be implemented to build cohesive-zone finite element models for simulating fracture in nanocrystalline or ultrafine grained materials.

Yamakov, Vesselin I.↗

High-strength silicon carbides by hot isostatic pressing

Silicon carbide has strong potential for heat engine hardware and other high-temperature applications because of its low density, good strength, high oxidation resistance, and good high-temperature creep resistance. Hot isostatic pressing (HIP) was used for producing alpha and beta silicon carbide (SiC) bodies with near-theoretical density, ultrafine grain size, and high strength at processing temperatures of 1900 to 2000 C. The HIPed materials exhibited ultrafine grain size. Furthermore, no phase transformation from beta to alpha was observed in HIPed beta-SiC. Both materials exhibited very high average flexural strength. It was also shown that alpha-SiC bodies without any sintering aids, when HIPed to high final density, can exhibit very high strength. Fracture toughness K (sub C) values were determined to be 3.6 to 4.0 MPa m (sup 1/2) for HIPed alpha-SiC and 3.7 to 4.1 MPa m (sup 1/2) for HIPed beta-SiC. In the HIPed specimens strength-controlling flaws were typically surface related. In spite of improvements in material properties such as strength and fracture toughness by elimination of the larger strength-limiting flaws and by grain size refinement, HIPing has no effect on the Weibull modulus.

Dutta, Sunil↗

High-strength silicon carbides by hot isostatic pressing

Silicon carbide has strong potential for heat engine hardware and other high-temperature applications because of its low density, good strength, high oxidation resistance, and good high-temperature creep resistance. Hot isostatic pressing (HIP) was used for producing alpha and beta silicon carbide (SiC) bodies with near-theoretical density, ultrafine grain size, and high strength at processing temperatures of 1900 to 2000 C. The HIPed materials exhibited ultrafine grain size. Furthermore, no phase transformation from beta to alpha was observed in HIPed beta-SiC. Both materials exhibited very high average flexural strength. It was also shown that alpha-SiC bodies without any sintering aids, when HIPed to high final density, can exhibit very high strength. Fracture toughness K (sub C) values were determined to be 3.6 to 4.0 MPa m (sup 1/2) for HIPed alpha-SiC and 3.7 to 4.1 MPa m (sup 1/2) for HIPed beta-SiC. In the HIPed specimens strength-controlling flaws were typically surface related. In spite of improvements in material properties such as strength and fracture toughness by elimination of the larger strength-limiting flaws and by grain size refinement, HIPing has no effect on the Weibull modulus.

Dutta, Sunil↗

Materials Characterization, Prediction, and Control Project: Characterization of 316L Stainless Steel after Solid Phase Processing using Ultrasonic NDE Method

The Pacific Northwest National Laboratory undertook the Materials Characterization, Prediction, and Control Laboratory Directed Research and Development Project to advance understanding of nuclear material processing and enable multifold acceleration in the development and qualification of new material systems produced via advanced manufacturing methods, such as solid phase processing, for use in national security and advanced energy applications (Smith 2021). A motivation of the Materials Characterization, Prediction, and Control Project was to demonstrate ultrasonic testing as a nondestructive evaluation method to complement traditional destructive methods for characterizing material microstructure with emphasis on grain size determination using a method that may have future applications for real-time inline process monitoring. The objective of the work described in this report is to establish the process and an analysis method for measuring grain sizes of polycrystalline metals with ultrafine grains using ultrasonic shear wave backscattering, building on prior studies on coarser-grained material. The work involves five tasks: Measured ultrasonic backscattering experimentally for a series of 316L stainless steel specimens with various grain sizes made by friction stir processing. Calculated ultrasonic backscattering coefficients from experimental data based on a physical measurement model. Measured ground truth grain sizes of the specimens from electron backscatter diffraction grain boundary images using a generalization of the ASTM E112 (ASTM 2021) intercept method. Built a curve of ultrasonic backscattering coefficients versus the ground truth intercept-based grain sizes to determine the correlation between mean grain sizes and ultrasonic measurements. Demonstrated the ability of using the correlation curve to deduce grain sizes with measured ultrasonic backscattering coefficients for a few 316L stainless steel specimens whose grain sizes were unknown beforehand but were targeted to be an extrapolation to larger grain sizes than used to formulate the correlation curves. Experimental procedures and computational algorithms are developed and validated for these tasks. This work establishes an ultrasonic technique for characterizing material microstructure with ultrafine grains that are often resulted by solid-phase processing. The technique is nondestructive, and it has the potential to be used for real time inline process monitoring. This work successfully demonstrates the viability of an ultrasonic nondestructive evaluation method for microstructural characterization of material having ultrafine grain structure (as small as 1?mm) and produced by an advanced manufacturing method. This includes a demonstration of the method to extrapolate to other conditions. While not demonstrated here, the method is expected to be viable for in-line, or near-inline, process monitoring in advanced manufacturing applications with suitable consideration for access of instrumentation to the material being manufactured.

316 L Stainless Steel↗

Ultra-grain refinement creates FCC pure cobalt with high strength and high ductility

Although pure cobalt is generally known to have a hexagonal close-packed (HCP) structure at room temperature, we show that its high-temperature face-centered cubic (FCC) phase can be strongly stabilized through grain refinement, resulting in FCC pure cobalt at room temperature. Ultrafine-grained (UFG) FCC cobalt exhibits a hierarchical microstructure consisting of dense stacking fault (SF) networks in the dominant FCC grains and numerous SFs and thin FCC layers within a few HCP plates. This unique microstructure leads to a high tensile strength exceeding 1 GPa, together with a tensile elongation of over 35%, thereby surpassing the well-known strength–ductility trade-off of pure metals. In-situ synchrotron X-ray diffraction revealed that the UFG FCC cobalt exhibited a markedly enhanced deformation-induced FCC→HCP martensitic transformation, which provided sustained strain hardening through the transformation-induced plasticity (TRIP) effect. Furthermore, ultra-grain refinement dramatically suppressed premature void and crack formation, causing a transition in the fracture mode from brittle to ductile. These findings advance the fundamental understanding of the phase stability and TRIP-assisted deformation in elemental cobalt and offer new guidelines for the microstructure-driven design of high-performance cobalt-based structural alloys.

Metastability↗

Carbon petrology in cometary dust

Chondritic porous (CP) interplanetary dust particles (IDP's) are collected in the Earth's stratosphere. There exists an extensive database on major and minor element chemistry, stable isotopes, noble gas abundances and mineralogy of many CP IDP's, as well as infrared and Raman spectroscopic properties. For details on the mineralogy, chemistry and physical properties of IDP's, I refer to the reviews by Mackinnon and Rietmeijer (1987), Bradley et al. (1988) and Sandford (1987). Texture, mineralogy (Mackinnon and Rietmeijer, 1987) and chemistry (Schramm et al., 1989; Flynn and Sutton, 1991) support the notion that CP IDP's are a unique group of ultrafine-grained extraterrestiral materials that are distinct from any known meteorite class. Their fluffy, or porous, morphology suggests that CP IDP's probably endured minimal alteration by protoplanetary processes since their formation. It is generally accepted that CP IDP's are solid debris from short-period comets. The evidence is mostly circumstantial but this notion gained significant support based on the comet Halley dust data (Brownlee, 1990). In this paper, I will accept that CP IDP's are indeed cometary dust. The C/Si ratio in CP IDP's is 3.3 times higher than in CI carbonaceous chondrites (Schramm et al. 1989). The intraparticle carbon distribution is heteorogeneous (Rietmeijer and McKay, 1986). Carbon occurs both in oxidized and reduced forms. Analytical electron microscope (AEM) and Raman spectroscopic analyses have shown the presence of several carbon forms in CP IDP's but the data are scattered in the literature. Carbons in cometary CP IDP's are among the most pristine Solar System carbons available for laboratory study. Similar to a recently developed petrological model for the diversity of layer silicates in CP IDP's (Zolensky, 1991) that is useful to constrain in situ aqueous alteration in comets (Rietmeijer and Mackinnon, 1987a), I here present the first effort to develop a petrological concept of carbons in CP IDP's. This concept is useful to constrain comet evolution. I also present the philosophical constraint facing Earth Scientists in studies of protoplanets that require a new approach to cometary dust studies.

Rietmeijer, Frans J. M.↗

Microstructurally informed synchrotron x-ray analysis revealing helium defect transitions in ultrafine grained tungsten

The formation of insoluble gaseous defects in materials due to nuclear transmutation or ion implantation involves the diffusion of impurity atoms to form atomic defect clusters that coalesce into bubbles or cavities and ultimately degrade the material properties. Transmission electron microscopy (TEM) is limited in its ability to resolve sub-nanometer gas clusters whereas X-ray diffraction (XRD) provides information pertaining to local atomic changes. Here, in this study, helium (He) implanted ultrafine grained tungsten is explored through a multimodal defect characterization campaign combining TEM-informed Small Angle X-ray Scattering (SAXS) analysis, XRD lattice parameter measurements, and nanoscale He cluster quantification from a region of reciprocal space accessible via Wide Angle X-ray Scattering (WAXS). Moderate elevated temperature implantations are shown to produce high concentrations of sub-nanoscale He clusters and small, homogeneously distributed cavities, which collectively are linked to lattice expansion and further substantiated through complementary atomistic simulations. Increased implantation temperatures encourage the diffusion of these defects to the grain boundaries (GBs), leading to lattice relaxation and the growth of large GB cavities manifesting as bimodal size distributions in the SAXS analysis. Overall, our results demonstrate the utility of multimodal synchrotron X-ray analysis in bridging the gap between microscale He cavity quantification and atomic-scale defect analysis.

36 MATERIALS SCIENCE↗

Ultrafine-grained mineralogy and matrix chemistry of olivine-rich chondritic interplanetary dust particles

Olivine-rich chondritic interplanetary dust particles (IDPs) are an important subset of fluffy chondritic IDPs collected in the earth's stratosphere. Particles in this subset are characterized by a matrix of nonporous, ultrafine-grained granular units. Euhedral single crystals, crystals fragments, and platey single crystals occur dispersed in the matrix. Analytical electron microscopy of granular units reveals predominant magnesium-rich olivines and FeNi-sulfides embedded in amorphous carbonaceous matrix material. The variable ratio of ultrafine-grained minerals vs. carbonaceous matrix material in granular units support variable C/Si ratios, and some fraction of sulfur is associated with carbonaceous matrix material. The high Mg/(Mg+Fe) ratios in granular units is similar to this distribution in P/Comet Halley dust. The chondritic composition of fine-grained, polycrystalline IDPs gradually breaks down into nonchondritic, and ultimately, single mineral compositions as a function of decreased particle mass. The relationship between particle mass and composition in the matrix of olivine-rich chondritic IDPs is comparable with the relationship inferred for P/Comet Halley dust.

Rietmeijer, F. J. M.↗

Abnormal grain growth in ultrafine grained Ni under high-cycle loading

Abnormal grain growth can occur in polycrystalline materials with only a fraction of grains growing drastically to consume other grains. We report abnormal grain growth in ultrafine grained metal in a rarely explored high-cycle loading regime at ambient temperature. Abnormal grain growth is observed in electroplated Ni microbeams with average initial grain sizes less than 640 nm under a large number of loading cycles (up to 109) with low strain amplitudes (< 0.3%). Such abnormal grain growth occurs predominantly in the family of grains whose <100> orientation is along the tensile/compressive loading direction. Micromechanics analysis suggests that the elastic anisotropy of grains dictates the thermodynamic driving force of abnormal grain growth, such that the lowest strain energy density of the <100> oriented grain family dominates grain growth. This work unveils a unique type of abnormal grain growth that may be harnessed to tailor grain microstructures in materials.

36 MATERIALS SCIENCE↗

Grain boundary softening from stress assisted helium cavity coalescence in ultrafine-grained tungsten

The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured metals containing a high density of interfacial sinks, preferential cavity formation in the grain boundaries instead produces softening that is often attributed to enhanced interfacial plasticity. Here, employing two grades of ultrafine-grained tungsten, we explore this effect using targeted implantation studies to map cavity evolution as a function of the irradiation conditions and quantify its impact on the mechanical response through nanoindentation. Softening is reported at implantation temperatures above the threshold for preferential grain boundary cavity formation but at a sufficiently low fluence prior to the growth of intragranular cavities. Collective changes in the mean cavity size, density, and morphology beneath a residual impression on an implanted surface indicate that cavity coalescence accompanied the reduction in hardness. Complementary atomistic simulations demonstrate that, in tungsten grain structures exhibiting softening, grain boundary bubble coalescence is driven by stress concentrations that further act to localize strain in the grain boundaries through cooperative deformation processes involving local atomic shuffling and sliding, dislocation emission, and even the nucleation of unstable twinning events.

36 MATERIALS SCIENCE↗

Nature and origin of matrix in the unique type 3 chondrite, Kakangari

The characteristics of the matrix of the Kakangari type-3 chondrite were investigated using high-resolution TEM and AEM. It was found that the textural and mineralogical characteristics of the fine-grained matrix of Kakangari are different from those of the other chondrite groups. Unlike the matrix phases present in the CV3 and CO3 chondrites, the matrix mineralogy of Kakangari contains clear information regarding its possible origin and thermal history. Data obtained are most consistent with an origin of Kakangari by annealing, without melting at high temperature (possibly during a chondrule-forming thermal event), of clusters or aggregates of ultrafine-grained amorphous or crystalline phases. The precursor materials were most likely to have been a mixture of nebula and presolar dust. Chondrules in Kakangari were probably formed from identical precursors to the matrix, but reached temperatures sufficiently high to produce melting.

Brearley, Adrian J.↗

Excellent high cyclic fatigue properties of a novel ultrafine-grained medium entropy alloy

Fatigue is a major cause of failure and requires dedicated investigation to validate the integrity of potential structural materials. As high and medium entropy alloys (HEAs and MEAs) are garnering significant attention from scientific communities, it is important to test the structural integrity of these novel alloys in cyclic loading environment. This study analyzed both monotonic and cyclic loading properties of a novel medium entropy alloy (MEA) CoCr 1.3 Ni in the ultrafine-grained (UFG) and fine grain (FG) conditions. The UFG MEA performs better than the FG MEA during cyclic loading. Microstructural evolution after cyclic loading via electron back-scattered diffraction shows microstructural stability of both FG and UFG microstructures. Transmission electron microscopy suggests formation of stacking faults and fine-scale HCP transformation during cyclic loading.

36 MATERIALS SCIENCE↗

Stable, Ductile and Strong Ultrafine HT-9 Steels via Large Strain Machining

Beyond the current commercial materials, refining the grain size is among the proposed strategies to manufacture resilient materials for industrial applications demanding high resistance to severe environments. Here, large strain machining (LSM) was used to manufacture nanostructured HT-9 steel with enhanced thermal stability, mechanical properties, and ductility. Nanocrystalline HT-9 steels with different aspect rations are achieved. In-situ transmission electron microscopy annealing experiments demonstrated that the nanocrystalline grains have excellent thermal stability up to 700 °C with no additional elemental segregation on the grain boundaries other than the initial carbides, attributing the thermal stability of the LSM materials to the low dislocation densities and strains in the final microstructure. Nano-indentation and micro-tensile testing performed on the LSM material pre- and post-annealing demonstrated the possibility of tuning the material’s strength and ductility. The results expound on the possibility of manufacturing controlled nanocrystalline materials via a scalable and cost-effective method, albeit with additional fundamental understanding of the resultant morphology dependence on the LSM conditions.

36 MATERIALS SCIENCE↗