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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Simulations of in situ x-ray diffraction from uniaxially compressed highly textured polycrystalline targets

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments are becoming increasingly sophisticated, there has been little work on exploiting the textured nature of polycrystalline targets to gain information on sample response. Here, we describe how to generate simulated x-ray diffraction patterns from materials with an arbitrary texture function subject to a general deformation gradient. We will present simulations of Debye-Scherrer x-ray diffraction from highly textured polycrystalline targets that have been subjected to uniaxial compression, as may occur under planar shock conditions. In particular, we study samples with a fibre texture, and find that the azimuthal dependence of the diffraction patterns contains information that, in principle, affords discrimination between a number of similar shock-deformation mechanisms. For certain cases, we compare our method with results obtained by taking the Fourier transform of the atomic positions calculated by classical molecular dynamics simulations. Illustrative results are presented for the shock-induced α–ϵ phase transition in iron, the α–ω transition in titanium and deformation due to twinning in tantalum that is initially preferentially textured along [001] and [011]. The simulations are relevant to experiments that can now be performed using 4th generation light sources, where single-shot x-ray diffraction patterns from crystals compressed via laser-ablation can be obtained on timescales shorter than a phonon period.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Relating Texture and Thermomechanical Processing Variables in Mg–Zn–Ca Alloys

It is well known that the strong basal texture commonly produced in magnesium alloy sheets leads to poor formability at room temperature. A sizable body of work has explored how changing the alloy composition and rolling conditions can yield more desirable textures; however important thermomechanical variables, such as the feed rate during rolling, are often not included in the literature, making it difficult to correlate how changes in processing affect the final crystallographic texture. This work explores the texture evolution and grain refinement in Mg-Zn-Ca alloys during plane strain compression (PSC) using a Gleeble thermomechanical simulator. This instrument allows for precise control and capture of the thermomechanical history of the sample. The texture and grain morphology of the compressed samples were characterized using Electron Backscatter Diffraction (EBSD). The texture results will be used to identify which alloys and processing conditions should be scaled up for future rolling studies.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Texture in thin film silicides and germanides: A review

Silicides and germanides are compounds consisting of a metal and silicon or germanium. In the microelectronics industry, silicides are the material of choice for contacting silicon based devices (over the years, CoSi{sub 2}, C54-TiSi{sub 2}, and NiSi have been adopted), while germanides are considered as a top candidate for contacting future germanium based electronics. Since also strain engineering through the use of Si{sub 1−x}Ge{sub x} in the source/drain/gate regions of MOSFET devices is an important technique for improving device characteristics in modern Si-based microelectronics industry, a profound understanding of the formation of silicide/germanide contacts to silicon and germanium is of utmost importance. The crystallographic texture of these films, which is defined as the statistical distribution of the orientation of the grains in the film, has been the subject of scientific studies since the 1970s. Different types of texture like epitaxy, axiotaxy, fiber, or combinations thereof have been observed in such films. In recent years, it has become increasingly clear that film texture can have a profound influence on the formation and stability of silicide/germanide contacts, as it controls the type and orientation of grain boundaries (affecting diffusion and agglomeration) and the interface energy (affecting nucleation during the solid-state reaction). Furthermore, the texture also has an impact on the electrical characteristics of the contact, as the orientation and size of individual grains influences functional properties such as contact resistance and sheet resistance and will induce local variations in strain and Schottky barrier height. This review aims to give a comprehensive overview of the scientific work that has been published in the field of texture studies on thin film silicide/germanide contacts.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Decoupling of superposed textures in an electrically biased piezoceramic with a 100 preferred orientation

A method leveraging Rietveld full-pattern texture analysis to decouple induced domain texture from a preferred grain orientation is presented in this paper. The proposed method is demonstrated by determining the induced domain texture in a polar polymorph of 100 oriented 0.91Bi 1/2 Na 1/2 TiO 3 -0.07BaTiO 3 -0.02K 0.5 Na 0.5 NbO 3 . Domain textures determined using the present method are compared with results obtained via single peak fitting. Texture determined using single peak fitting estimated more domain alignment than that determined using the Rietveld based method. These results suggest that the combination of grain texture and phase transitions can lead to single peak fitting under or over estimating domain texture. Finally, while demonstrated for a bulk piezoelectric, the proposed method can be applied to quantify domain textures in multi-component systems and thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Relationships Between the Phase Transformation Kinetics, Texture Evolution, and Microstructure Development in a 304L Stainless Steel Under Biaxial Loading Conditions: Synchrotron X-ray and Electron Backscatter Diffraction Studies

The relationships between the martensitic phase transformation kinetics, texture evolution, and the microstructure development in the parent austenite phase were studied for a 304L stainless steel that exhibits the transformation-induced plasticity effect under biaxial loading conditions at ambient temperature. The applied loading paths included: pure torsion, simultaneous biaxial torsion/tension, simultaneous biaxial torsion/compression, and stepwise loading of tension followed by torsion (i.e., first loading by uniaxial tension and then by pure torsion in sequence). Synchrotron X-ray and electron backscatter diffraction techniques were used to measure the evolution of the phase fractions, textures, and microstructures as a function of the applied strains. The influence of loading character and path on the changes in martensitic phase transformation kinetics is discussed in the context of (1) texture-transformation relationship and the preferred transformation of grains belonging to certain texture components over the others, (2) effects of axial strains on shear band evolutions, and (3) volume changes associated with martensitic transformation.

Complex Loading↗
DOE OSTI2017

A quasi-in-situ EBSD observation of the transformation from rolling texture to recrystallization texture in V-4Cr-4Ti alloy

Recrystallization texture evolution of rolled V-4Cr-4Ti alloy has been investigated by quasi-in-situ EBSD (electron back-scattering diffraction) method. Concurrently, the precipitates were characterized by SEM (Scanning Electron Microscopy). It was found that both the initial rolling textures and the distribution of the precipitates affected the formation of the recrystallization texture. It was revealed that the texture transformations of (558) 〈110〉 + (665) 〈110〉 to (334) 〈483〉 + (665) 〈1 1 2.4〉 were possibly attributed to the selective drag induced by the sparsely dispersed Ti-rich precipitates. While the densely distributed Ti-rich precipitates were responsible for the randomized recrystallization texture. Finally, when the precipitates were absent, the orientation changes from (112) 〈110〉 and (558) 〈110〉 to (111) 〈112〉 and (001) <110> to (001) <520> were observed. - Highlights: • Micro recrystallization texture evolution in V-4Cr-4Ti alloys is reported for the first time. • The volume fraction of Ti-rich precipitates has significant effect on the recrystallization texture evolution. • The dissolution of the Ti-rich precipitates above 1100 °C induces the strengthening of (111) <112> texture.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Interrupted in situ EBSD study of texture evolution and mechanism of surface grains in electroformed Ni after annealing with an initially duplex <100> + <111> fiber texture during uniaxial tensile deformation

Highlights: • The texture evolution of the electroformed Ni was investigated by using an interrupted in situ electron backscattered diffraction. • The initial <100> fiber component evolved into the metastable cube component with a weaker copper component. • Only a few grains of the initial <111> fiber component evolved into the copper orientation. - Abstract: The texture evolution process and mechanism of surface grains in electroformed Ni after annealing with an initially duplex <100> + <111> fiber texture during uniaxial tensile deformation were investigated by using interrupted in situ electron backscattered diffraction. The results showed that the initially duplex <100> + <111> fiber texture evolved into the metastable Cube orientation with a weak Cu orientation during the uniaxial tensile deformation. The volume fractions of <100> and <111> fiber texture decreased from 54.0% to 29.3% and 16.6% to 6.6%, respectively. The volume of the Cube orientation remained almost stable at 12%, whereas that of the Cu orientation increased from 1% to 2.9%. A simulation of the final preferred orientation based on the Taylor model was a cubic texture, which qualitatively agreed well with the experimental result. The simulated results indicated that the formed Cube and Cu textures evolved from the initial <100> and <111> fiber textures, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Strength and texture of Pt compressed to 63 GPa

Angle- and energy-dispersive X-ray diffraction experiments in a radial geometry were performed in the diamond anvil cell on polycrystalline platinum samples at pressures up to 63 GPa. Observed yield strength and texture depend on grain size. For samples with 70–300-nm particle size, the yield strength is 5–6 GPa at ∼60 GPa. Coarse-grained (∼2-μm particles) Pt has a much lower yield strength of 1–1.5 GPa at ∼60 GPa. Face-centered cubic metals Pt and Au have lower strength to shear modulus ratio than body-centered cubic or hexagonal close-packed metals. While a 300-nm particle sample exhibits the 〈110〉 texture expected of face-centered-cubic metals under compression, smaller and larger particles show a weak mixed 〈110〉 and 〈100〉 texture under compression. Differences in texture development may also occur due to deviations from uniaxial stress under compression in the diamond anvil cell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Efficient rolling texture predictions and texture-sensitive properties of α-uranium foils

Here, finite element (FE) analysis was used to simulate the strain history of an α-uranium foil during cold-rolling, with the sheet modeled as an isotropic elastoplastic continuum. The resulting strain history was then used as input for a viscoplastic self-consistent (VPSC) polycrystal plasticity model to simulate crystallographic texture evolution. Mid-plane textures predicted via the combined FE→VPSC approach show alignment of the (010) poles along the rolling direction (RD), and the (001) poles along the normal direction (ND) with a symmetric splitting along RD. The surface texture is similar to that of the mid-plane, but with a shear-induced asymmetry that favors one of the RD split features of the (001) pole figure. Both the mid-plane and surface textures predicted by the FE→VPSC approach agree with published experimental results for cold-rolled α-uranium plates, as well as predictions made by a more computationally intensive full-field crystal plasticity based finite element model. α-uranium foils produced by cold-rolling must typically undergo a final recrystallization anneal to restore ductility prior to their final application, resulting in significant texture evolution from the cold-rolled plate deformation texture. Using the texture measured from a foil in the final recrystallized state, coefficients of the thermal expansion and elastic stiffness tensors were calculated using a thermo-elastic self-consistent model, and the anisotropic yield loci and flow curves along the RD, TD, and ND were predicted using the VPSC code.

36 MATERIALS SCIENCE↗
DOE OSTI2015

In situ analysis of texture development from sinusoidal stress at high pressure and temperature

Here, we present a new experimental protocol to investigate the relationship between texture, plastic strain, and the mechanisms of plastic deformation at high pressure and temperature. The method utilizes synchrotron X-ray radiation as the probing tool, coupled with a large-volume high pressure deformation device (D-DIA). The intensity of X-ray diffraction peaks within the spectrum of the sample is used for sampling texture development in situ. The unique feature of this study is given by the sinusoidal variation of the intensity when a sinusoidal strain is applied to the sample. For a sample of magnesium oxide at elevated pressure and temperature, we demonstrate observations that are consistent with elasto-plastic models for texture development and for diffraction-peak measurements of apparent stress. The sinusoidal strain magnitude was 3%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Diffraction Methods for Qualitative and Quantitative Texture Analysis of Ferroelectric Ceramics

Crystallographic textures are pervasive in ferroelectrics and underpin the functional properties of devices utilizing these materials because many macroscopic properties (e.g., piezoelectricity) require a non-random distribution of dipoles. Inducing a preferred grain texture has become a viable route to improve these functional properties. X-ray and neutron diffraction have become valuable tools to probe crystallographic textures. This paper presents an overview of qualitative and quantitative methods for assessing crystallographic textures in electroceramics (domain and grain textures) and discusses their strengths and weaknesses.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Investigation into Texture and Structure of MA2-1PCh Magnesium Alloy after Equal Channel Angular Extrusion and Annealing by Quantitative X-Ray Texture Analysis and Electron Backscatter Diffraction

This article discusses application of quantitative X-ray texture analysis (QTXA) based on measurement of direct pole figures and electron backscatter diffraction (EBSD) aimed at study of peculiarities of formation of texture and structure of MA2-1pch magnesium alloy after equal channel angular extrusion (ECAE) and subsequent annealing. Shear bands with the width of 60 μm oriented at 45°–50° to the extrusion direction are revealed, where an inclined scattered basis texture is detected, and outside of these bands, a prismatic texture. As a consequence, basic sliding is activated in the shear bands, which is confirmed by the distribution of Schmid factors. The influence of texture and orientation of shear bands on anisotropy of strength mechanical properties of alloy is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Texture Development and Stress–Strain Partitioning in Periclase + Halite Aggregates

Multiphase materials are widely applied in engineering due to desirable mechanical properties and are of interest to geoscience as rocks are multiphase. High-pressure mechanical behavior is important for understanding the deep Earth where rocks deform at extreme pressure and temperature. In order to systematically study the underlying physics of multiphase deformation at high pressure, we perform diamond anvil cell deformation experiments on MgO + NaCl aggregates with varying phase proportions. Lattice strain and texture evolution are recorded using in-situ synchrotron x-ray diffraction and are modeled using two-phase elasto-viscoplastic self-consistent (EVPSC) simulations to deduce stress, strain, and deformation mechanisms in individual phases and the aggregate. Texture development of MgO and NaCl are affected by phase proportions. In NaCl, a (100) compression texture is observed when small amounts of MgO are present. In contrast, when deformed as a single phase or when large amounts of MgO are present, NaCl develops a (110) texture. Stress and strain evolution in MgO and NaCl also show different trends with varying phase proportions. Based on the results from this study, we construct a general scheme of stress evolution as a function of phase proportion for individual phases and the aggregate.

Lin, Feng↗
DOE OSTI2024

Temperature-Dependent Mechanical Anisotropy in Textured Zircaloy Cladding

This work evaluates deformation activity in textured zircaloy-4 cladding with the aim of elucidating the mechanisms that govern mechanical behavior across a temperature range anticipated in reactor service. In particular, the dependence of mechanical anisotropy on temperature and stress state (ratio of applied stresses) is examined via uniaxial and biaxial tensile experiments at room temperature and 400 °C. The mechanical behavior was interpreted based on micro-texture and dominant slip system activity. Thermal activation of basal systems is found as a key mechanism affecting mechanical behavior across the temperature range. The biaxial stress states produce resolved shear stresses contrasting to uniaxial stress states. As a result, mechanical testing and implications for reactor pellet-cladding mechanical interaction stress conditions are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111)

We studied the solid-phase reaction between a thin Ni film and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situ X-ray diffraction and in situ Rutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Texture analysis of AGR program matrix materials

We report the fuel form for high-temperature gas-cooled reactors consists of tristructural isotropic (TRISO) particles embedded in a matrix of graphite flake and carbonized resin. The process of overcoating particles prior to compacting yields a circumferential orientation of the graphite flake surrounding the TRISO particles, which is modified to varied extents when overcoated particles are pressed into the final fuel form. As graphite is highly anisotropic, the texture may impact the properties and performance of the fuel. Ellipsometry was used to measure the texture of the matrix for fueled compacts and unfueled “matrix-only” samples. Results indicated local texture related to the spherical particles in compacts associated with overcoating versus a more linear layered structure in “matrix-only” samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗