Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “grain orientation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Grain boundary velocity and curvature are not correlated in Ni polycrystals

Grain boundary velocity has been believed to be correlated to curvature, and this is an important relationship for modeling how polycrystalline materials coarsen during annealing. We determined the velocities and curvatures of approximately 52,000 grain boundaries in a nickel polycrystal using three-dimensional orientation maps measured by high-energy diffraction microscopy before and after annealing at 800°C. Unexpectedly, the grain boundary velocities and curvatures were uncorrelated. Instead, we found strong correlations between the boundary velocity and the five macroscopic parameters that specify grain boundary crystallography. The sensitivity of the velocity to grain boundary crystallography might be the result of defect-mediated grain boundary migration or the anisotropy of the grain boundary energy. The absence of a correlation between velocity and curvature likely results from the constraints imposed by the grain boundary network and implies the need for a new model for grain boundary migration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Fabric-enriched continuum breakage mechanics (F-CBM )

A fabric-enriched continuum breakage mechanics (F-CBM) framework is developed to examine the relation between elastic and inelastic anisotropy in granular materials subjected to high pressure. For this purpose, emphasis is given to the influence of the anisotropic fabric on the plastic cap regime – that is, a macroscopic signature of the inelasticity of granular materials widely dependent on the particle crushability. Anisotropic behaviour prior to yielding is introduced through a symmetric second-order fabric tensor embedded in the expression of the elastic energy potential. It is shown that, thanks to its energy-based formulation, the F-CBM framework provides a platform to predict the rotation and distortion of the yield cap of granular materials as an outcome of anisotropic strain energy storage prior to grain crushing. Parametric analyses indicate that both the degree of anisotropy and the orientation of the fabric have an impact on the energy release resulting from grain crushing and contribute to the resulting stress–strain behaviour. It is shown that, despite the use of very few parameters, the proposed framework can accurately predict the anisotropic yielding and inelastic stress–strain response solely on the basis of the directional properties inferred from measurements of elastic anisotropy.

Engineering↗
DOE OSTI2025

Understanding grain refinement and intergranular gas bubble evolution in U-10Mo fuel using phase-field modeling

Monolithic U-10Mo fuel undergoes significant microstructural changes in the form of grain refinement and gas bubble formation during burnup, which degrades its mechanical properties. In this talk, I present a phase-field model for microstructure evolution in U-10Mo developed using the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Simulations demonstrate that grain refinement initiates at pre-existing grain boundaries (GBs) to eliminate the lattice distortion energy caused by the accumulation of self-interstitial loops. By employing an equation of state for xenon gas, we simulate the evolution of gas bubbles in the polycrystal microstructure. Large, interconnected bubbles are found to form along the triple junctions. The effects of defect production rate, diffusivities and GB mobility on the microstructure evolution are systematically studied. Homogenization is employed on the microstructures to obtain effective elastic constants and diffusivity as a function of fission density. The simulations provide critical insights on microstructure and property degradation in U-10Mo fuel.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A new efficient grain growth model using a random Gaussian-sampled mode filter

This paper presents the use of a Gaussian neighborhood mode filter for predicting grain growth in a manner similar to the solutions obtained by a Monte Carlo Potts model. This flexible grain growth model can quickly utilize modern, computationally optimized data science strategies on graphics processing units to simulate grain growth up to 100 times faster than the state-of-the-art, publicly available Monte Carlo Potts model. We show that, given the correct neighborhood, the mode filter can replicate normal grain growth in two or three dimensions. In addition, the paper briefly demonstrates the ability to model limited anisotropic in grain boundary energy and mobility. Anisotropic grain boundary energy is modeled by defining a weighted mode filter operation. Anisotropic grain boundary mobility is modeled by scaling and orienting the Gaussian neighborhood in a particular direction.

Anisotropy↗
DOE OSTI2023

Hot Rolling of ZK60 Magnesium Alloy with Isotropic Tensile Properties from Tubing Made by Shear Assisted Processing and Extrusion (ShAPE)

In the present work, we utilized Shear Assisted Processing and Extrusion (ShAPE), a solid-phase processing technique, to extrude hollow tubes of ZK60 Mg alloy. Hot rolling was performed on these as-extruded tubes (after slitting them longitudinally) to thickness reductions of 37%, 68%, and 93% to investigate their viability as rolling feedstock material. EBSD analysis showed the formation of twinned grains in the ShAPE processed material and a gradual re-orientation of the basal texture parallel to the extrusion direction with each rolling step. Moreover, an equiaxed grain size of 5.15 ± 3.39 μm was obtained in the ShAPE extruded material, and the microstructure was retained even after 93% rolling reduction. The rolled sheets also showed excellent tensile strengths and no mechanical anisotropy, a critical characteristic for formability. The unique microstructures developed and their excellent mechanical properties, combined with the ease of scalability of the process, make ShAPE a promising alternative to existing methods for producing rolling feedstock material.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Igneous petrology of the new ureilites Nova 001 and Nullarbor 010

The Nova 001 (= Nuevo Mercurio (b)) and Nullarbor 010 meteorites are ureilites, both of which contain euhedral graphite crystals. The bulk of the meteorites are olivine (Fo79) and pyroxenes (Wo9En73Fs18, Wo3En77Fs20), with a few percent graphite and minor amounts of troilite, Ni-Fe metal, and possibly diamond. The rims of olivine grains are reduced (to Fo91) and contain abundant blebs of Fe metal. Silicate mineral grains are equant, anhedral, up to 2 mm across, and lack obvious preferred orientations. Euhedral graphite crystals (to 1 mm x 0.3 mm) are present at silicate grain boundaries, along boundaries and protruding into the silicates, and entirely within silicate mineral grains. Graphite euhedra are also present as radiating clusters and groups of parallel plates grains embedded in olivine; no other ureilite has comparable graphite textures. Minute lumps within graphite grains are possible diamond, inferred to be a result of shock. Other shock effects are limited to undulatory extinction and fracturing. Both ureilites have been weathered significantly. Considering their similar mineralogies, identical mineral compositions, and identical unusual textures, Nova 001 and Nullarbor 010 are probably paired. Based on olivine compositions, Nova 001 and Nullarbor 010 are in Group 1 (FeO-rich) of Berkley et al. (1980). Silicate mineral compositions are consistent with those of others known ureilites. The presence of euhedral graphite crystals within the silicate minerals is consistent with an igneous origin, and suggests that large proportions of silicate magma were present locally and crystallized in situ.

Triman, Allan H.↗
DOE OSTI2020

Dislocation density in fine grain-size spark-plasma sintered aluminum measured using high brightness synchrotron radiation

In this study, three-dimensional orientation mapping of samples of aluminum prepared by spark plasma sintering (SPS) with average grain sizes of 5 μm and 1 μm has been carried out using high-brightness synchrotron radiation, from which the geometrically necessary dislocation (GND) density has been determined. The low average measured GND density values confirm that the SPS process can be used to produce samples containing grains with dislocation density similar to that of fully recrystallized coarse-grained samples. Values of GND density are also compared to those obtained from electron back-scatter diffraction studies on the same material, highlighting the significantly higher angular resolution of the synchrotron data. For the 5 μm grain-size sample the measured GND density can account for a large fraction of the previously observed positive Hall-Petch deviation of this material. For the 1 μm grain-size sample, however, the GND-based strengthening contribution is much smaller than the reported positive Hall-Petch deviation, such that the additional strength may be reliably associated with dislocation source-limited strengthening.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Power conversion in SnS photocathodes made by electrochemical growth is limited by recombination at (002) buried facets

Herzenbergite α-SnS is a promising p-type semiconductor for photovoltaic and solar fuel applications, but current devices are plagued by substantial photovoltage losses. Here we use vibrating Kelvin probe surface photovoltage for the first time to study the recombination losses in microcrystalline SnS photoelectrodes. α-SnS films of varied crystal orientation, size, and shape are obtained by electrochemical growth from aqueous tin( II ) chloride and sodium thiosulfate solutions near room temperature. After application of a CdS passivation layer, the films function as photocathodes for the methylviologen reduction reaction. Photoelectrochemical and surface photovoltage measurements reveal that the performance of these devices is sensitively controlled by mainly the SnS crystal orientation and to a lesser extent by the grain size. For example, the highest charge recombination rates of 8.97 × 10 14 s −1 cm −2 and lowest photocurrent (0.73 mA cm −2 ) and lowest photovoltage (0.12 V) occur for SnS films containing 500 nm crystals with irregular shapes and SnS lattices tilted away from the (001) orientation. On the other hand, the best performance (1.62 mA cm −2 , 0.16 V, 3.32 × 10 12 s −1 cm −2 ) is seen for 1100 nm fully (001) oriented SnS nanoplates. Furthermore, these findings agree with improved charge carrier mobility in the 001 direction and they also show that charge recombination in SnS films occurs mainly at dangling Sn–S bonds at buried (002) facets. Such buried interfaces need to be suppressed for optimized solar energy conversion with SnS.

Najaf, Zainab [University of California, Davis, CA↗
DOE OSTI2020

In Situ Micro-Pillar Compression to Examine Radiation-Induced Hardening Mechanisms of FeCrAl Alloys

Here, the effects of 5 MeV Fe 2+ ion irradiation at 300°C on the microstructure evolution and deformation behavior of a FeCrAl C26M alloy are presented. It has been found that dislocation loop density increases an order of magnitude from 1 dpa to 16 dpa irradiations, whereas, the dislocation loop size saturates with increasing damage. Micropillars, 600 nm in diameter and 1.3 µm in height, were fabricated and compressed inside grains with <001>, <011> and <111> crystallographic orientations, respectively. {112} <111> has been identified as the primary slip system in both unirradiated and irradiated alloy. The increase in yield stress after irradiation is observed with measurable variation along <001> and <011> vs. along <111>. By applying the Orowan dispersed barrier model, the increase of yield stress is found mainly due to the slip resistance of radiation generated defect loops. Detailed transmission electron microscopy (TEM) studies were performed to quantify the Burgers vector and the distribution of irradiation induced dislocations at elevated strains. It is revealed that localized shear instability is caused by avalanche slip events of ½<111> dislocations gliding out of tested pillars. Simultaneously, a large number of sessile/immobile <100> dislocations formed in the vicinity of slip band, leading to the hardening at elevated strains.

36 MATERIALS SCIENCE↗
DOE OSTI2020

On the elastic anisotropy of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O compound

Herein, we study the elastic properties of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O using experimental and first principles techniques. Our measurements of the indentation modulus on grains with a wide range of crystallographic orientations of the entropy-stabilized oxide revealed a high degree of elastic isotropy at ambient conditions. First principles calculations predict mild elastic anisotropy for the paramagnetic structure, which decreases when the system is considered to be non-magnetic. When the antiferromagnetic state of CoO, CuO, and NiO is accounted for in the calculations, a slight increase in elastic anisotropy is observed, suggesting a coupling between magnetic ordering and the orientation dependent elastic properties. Furthermore, an examination of the local structure reveals that the isotropy is favored through local ionic distortions of Cu and Zn—due to their tendencies to form tenorite and wurtzite phases. The relationships between the elastic properties of the multicomponent oxide and those of its constituent binary oxides are reviewed. These insights open up new avenues for controlling isotropy for technological applications through tuning composition and structure in the entropy-stabilized oxide or the high-entropy compounds in general.

Entropy↗
DOE OSTI2020

In Situ Characterization of the Effect of Twin-Microstructure Interactions on {$1 0 \bar{1} 2$} Tension and {$1 0\bar {1} 1$} Contraction Twin Nucleation, Growth and Damage in Magnesium

Through in situ electron backscatter diffraction (EBSD) experiments, this paper uncovers dominant damage mechanisms in traditional magnesium alloys exhibiting deformation twinning. The findings emphasize the level of deleterious strain incompatibility induced by twin interaction with other deformation modes and microstructural defects. A double fiber obtained by plane-strain extrusion as a starting texture of AM30 magnesium alloy offered the opportunity to track deformation by EBSD in neighboring grains where some undergo profuse {$1 0\bar {1} 2$} twinning and others do not. For a tensile loading applied along extrusion transverse (ET) direction, those experiencing profuse twinning reveal a major effect of grain boundaries on non-Schmid behavior affecting twin variant selection and growth. Similarly, a neighboring grain, with its $\langle$c$\rangle$-axis oriented nearly perpendicular to tensile loading, showed an abnormally early nucleation of {$1 0\bar {1} 1$} contraction twins (2% strain) while the same {$1 0\bar {1} 1$} twin mode triggering under $\langle$c$\rangle$-axis uniaxial compression have higher value of critical resolved shear stress exceeding the values for pyramidal $\langle$c + a$\rangle$ dislocations. The difference in nucleation behavior of contraction vs. compression {$1 0\bar {1} 1$} twins is attributed to the hydrostatic stresses that promote the required atomic shuffles at the core of twinning disconnections.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Polycrystal thermo-elasticity revisited: theory and applications

The self-consistent (SC) theory is the most commonly used mean-field homogenization method to estimate the mechanical response behavior of polycrystals based on the knowledge of the properties and orientation distribution of constituent single-crystal grains. The original elastic SC method can be extended to thermo-elasticity by adding a stress-free strain to an elastic constitutive relation that expresses stress as a linear function of strain. With the addition of this independent term, the problem remains linear. Although the thermo-elastic self-consistent (TESC) model has important theoretical implications for the development of self-consistent homogenization of non-linear polycrystals, in this paper, we focus on TESC applications to actual thermo-elastic problems involving non-cubic (i.e. thermally anisotropic) materials. To achieve this aim, here we provide a thorough description of the TESC theory, which is followed by illustrative examples involving cooling of polycrystalline non-cubic metals. The TESC model allows studying the effect of crystallographic texture and single-crystal elastic and thermal anisotropy on the effective thermo-elastic response of the aggregate and on the internal stresses that develop at the local level.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Investigation of smooth specimen scc test procedures; variations in environment, specimen size, stressing frame, and stress state

The variables studied in the stress-corrosion cracking performance of high strength aluminum alloys were: (1) corrosiveness of the environment, (2) specimen size and stiffness of the stressing system, (3) interpretation of transgranular cracking, and (4) interaction of the state of stress and specimen orientation in a product with an anisotropic grain structure. It was shown that the probability of failure and time to fracture for a specimen loaded in direct tension are influenced by corrosion pattern, the stressing assembly stiffness, and the notch tensile strength of the alloy. Results demonstrate that the combination of a normal tension stress and a shear stress acting on the plane of maximum susceptibility in a product with a highly directional grain cause the greatest tendency for stress-corrosion cracking.

Lifka, B. W.↗
NASA NTRS2004

CuInS2 Films Deposited by Aerosol-Assisted Chemical Vapor Deposition Using Ternary Single-Source Precursors

Polycrystalline CuInS2 films were deposited by aerosol-assisted chemical vapor deposition using both solid and liquid ternary single-source precursors (SSPs) prepared in-house. Films with either (112) or (204/220) preferred orientation were obtained, and compositional analysis showed that (112)-oriented films contained more copper than (204/220)-oriented films. Using X-ray diffraction, the signature of chalcopyrite structure was often confirmed for (112)-oriented films. The preferred orientation of the film is likely related to the decomposition and reaction kinetics associated with the molecular structure of the precursors at the substrate. Interestingly, the (204/220)-oriented films were always accompanied by a secondary phase, which was identified as an unknown In-rich compound from the results of post-growth annealing, etching experiments, and Raman spectroscopic data. By increasing Cu to In ratio in the film, (112)-oriented films were obtained with a maximum grain size of about 0.5 micrometers, and their X-ray diffractions did not show any observable signature of the In secondary phase. Electrical and optical properties of all the films grown were characterized. They all showed p-type conduction with an electrical resistivity between 0.1 omega cm and 30 omega cm, and an optical band gap of 1.46eV +/- 0.02, as deposited. The material properties of deposited films revealed this methodology of using SSPs for fabricating chalcopyrite-based solar cells to be highly promising.

Jin, Michael H.-C.↗
DOE OSTI2023

Sensitivity of Dislocation-GB interactions to simulation setups in atomistic models

Dislocation-grain boundary (GB) interactions play an integral role in strengthening of crystalline materials, and are dependent on external loading conditions and atomic arrangements at the grain boundary. While molecular dynamics (MD) simulations can provide critical insights into relationships between these parameters and the exact interaction, the outcomes are sensitive to the computational setup. Here, in this work, we explore the effect of computational setup (system size, GB orientation and boundary conditions) on stress-controlled dislocation-grain boundary (DGB) reactions using MD simulations for a well-studied copper symmetric $\langle$1 1 2$\rangle$ tilt boundary. The study demonstrates that the DGB reactions (pinning, absorption, transmission, etc.) are sensitive to the system size and the orientation of the GB to the applied stress. Additionally, the current work shows that there is a critical system size for the dislocation-grain boundary reaction stresses to converge, one which was found to be much larger than the setups in comparable MD studies. This was attributed to the specific stress states and the influence of surfaces, fixed or free, as these computational setups are modified. Finally, a stress-controlled setup with minimal model artifacts is examined, and the effect of coupled Schmid and non-Schmid stress components on the dislocation-GB reactions are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomic motifs govern the decoration of grain boundaries by interstitial solutes

Abstract Grain boundaries, the two-dimensional defects between differently oriented crystals, tend to preferentially attract solutes for segregation. Solute segregation has a significant effect on the mechanical and transport properties of materials. At the atomic level, however, the interplay of structure and composition of grain boundaries remains elusive, especially with respect to light interstitial solutes like B and C. Here, we use Fe alloyed with B and C to exploit the strong interdependence of interface structure and chemistry via charge-density imaging and atom probe tomography methods. Direct imaging and quantifying of light interstitial solutes at grain boundaries provide insight into decoration tendencies governed by atomic motifs. We find that even a change in the inclination of the grain boundary plane with identical misorientation impacts grain boundary composition and atomic arrangement. Thus, it is the smallest structural hierarchical level, the atomic motifs, that controls the most important chemical properties of the grain boundaries. This insight not only closes a missing link between the structure and chemical composition of such defects but also enables the targeted design and passivation of the chemical state of grain boundaries to free them from their role as entry gates for corrosion, hydrogen embrittlement, or mechanical failure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Using multimodal X-ray computed tomography to advance 3D petrography: A non-destructive investigation of olivine inside a carbonaceous chondrite

Rocks form in three dimensions through time and studying them provides information from inside dynamic systems we cannot otherwise observe. Yet how we typically access the interior of the rocks themselves to gain that information may limit our understanding and influence how we reconstruct the processes that formed them. Here, we demonstrate combined non-destructive 3D X-ray imaging techniques that produce quantitative densitometric and crystallographic maps of entire individual grains inside a rock. Olivine grains throughout a sample of the carbonaceous chondrite Northwest Africa (NWA) 11346 were each characterized by size, shape, composition, zoning intensity, and crystallographic orientation. The addition of 3D crystallographic mapping to calibrated 3D densitometric analysis—used to calculate chemical composition—demonstrates a fully non-destructive petrographic method and provides unique insight. For instance, in our case, using crystallographic data to delineate individual grains and then measuring the 3D size, shape, and composition of each distinguishes variably reset relict grains from those later crystallized after a melting event. Intersection in a 2D slice could not have led to this interpretation because the integration of three-dimensional size, rounding, composition, location, and crystallographic orientation measured from each grain forms the key patterns. Multimodal laboratory X-ray imaging has strong potential to advance 3D petrography.

36 MATERIALS SCIENCE↗