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This paper is written as a reaction to the discussion by Aaronson et al. on our conclusion that the activation energy for ferrite nucleation during the austenite decomposition in medium carbon steel is two orders of magnitude smaller than predicted from the pillbox model of Lange et al. [Metall. Trans. A 19A (1988) 427].

We introduce the binary superposed phase retrieval problem that aims at reconstructing multiple 0/1-valued functions with nonoverlapping bounded supports from moduli of superpositions of several displaced copies of their individual Fourier transforms. We discuss an application in coherent diffraction imaging of crystalline objects, propose two algorithms, and evaluate their performance by means of simulations

A discrete tomography algorithm is presented for the reconstruction of grain maps based on X-ray diffraction data. This is the first algorithm for this task, inherently exploiting the discrete structure of grain maps. Gibbs potentials serve to characterize the statistics of the local morphology of the grain boundaries. A Monte Carlo based algorithm is applied as a restoration method for improving the quality of grain maps produced by a classical (non-discrete) tomography algorithm (ART). The quality of the restored maps is demonstrated and quantified by simulation studies. The robustness of the algorithm with respect to the choice of Gibbs potentials is investigated.

The so-called 3DXRD microscope, implemented at the European Synchrotron Radiation Facility in Grenoble, France, utilizes the principle of X-ray diffraction for mapping the crystalline grains within hard materials such as metals or ceramics. Present algorithms, using continuous models, roughly reconstruct the image from diffraction data, but they are often unable to assign unambiguous values to all pixels. We present an approach that resolves these ambiguous pixels by using a Monte Carlo technique that exploits the discrete nature of the problem and utilizes proven methods of discrete tomography. Based on simulations we show that most ambiguities can be successfully resolved.

A high-resolution, multidetector neutron powder diffractometer has been constructed and used for online studies of the oxidation kinetics in ceramic powders of oxygen-deficient YBa/sub 2/Cu/sub 3/O/sub 7-x/ (YBACUO). The structural phase transition between ordered orthorhombic and disordered tetragonal phase has been studied in pure oxygen and under vacuum. A continuous transition at 655 degrees C is observed in a pure oxygen atmosphere under equilibrium conditions, whereas an irreversible transition is observed at 470 degrees C under vacuum. Reduced YBACUO corresponding to x approximately=1.0 has been obtained by evacuation at 705 degrees C and has been shown to be stable in air. The oxidation processes of reduced YBACUO in a pure oxygen atmosphere have been studied using a semidynamical stepwise increase in temperature and under isothermal conditions. The results show that the in-diffusion under oxidation of reduced YBACUO is more easily accomplished than the corresponding out-diffusion process under reduction. From the structural data it is concluded that oxidation takes place in a mixed-phase medium of coexisting tetragonal and orthorhombic phases. >

International audience; Experimental investigations in STO ceramics revealed a grain growth anomaly, that pre- sumably originates in the interface anisotropy of these materials. However, the influence of anisotropic grain boundary (GB) properties on grain growth behaviour is to a large extent unknown. The present paper presents 3D grain growth simulations as a possible approach to understand the influence of anisotropic GB properties on the collective behaviour of the GBs in a polycrystal during grain growth. Possibilities to compare 3D growth simulations with experimental 2D sections are discussed and a first reconstructed x-ray diffraction contrast tomography image of a SrTiOspecimen is presented.

International audience; The growth of a single grain during recrystallisation into a mildly deformed {001}100 oriented single crystal has been monitored by synchrotron radiation using the topotomo technique. The formation and migration of individual facets is analysed using a new method which measures distances between grain boundary segments at different time steps along parallel lines normal to the facet plane. One facet is shown to move with a constant rate, while it remains planar and keeps the same boundary plane orientation. The formation of another facet, which is analysed in detail, reveals that first a planar boundary with a different orientation forms before it changes its boundary plane orientation into that of the final facet. It is argued that the local microstructural configuration in front of moving grain boundaries has a considerable influence on the kinetics of individual boundary segments and facets.

International audience; So far, 3D X-ray diffraction microscopy (3DXRD) and X-ray diffraction contrast tomography (DCT) experiments have typically been performed in forward scattering geometry, the detector intercepting diffraction cones up to limited opening angles below 30°. The extension of the current synchrotron–based methodology towards 3D orientation mapping of deformed microstructures with down to (sub-)micrometer spatial resolution will require a reduction of the pixel and hence sample size by one order of magnitude. This in turn relaxes the need for high energy beams and opens interesting possibilities for new acquisition geometries, taking advantage of improved spatial resolution and strain sensitivity at high diffraction angles. First results obtained in this acquisition geometry will be discussed and a comparison to polychromatic micro-diffraction experiments is drawn.

International audience; Large scale finite element simulations of the elastoviscoplastic behaviour of polycrystalline aggregates have become a standard technique to study the stress-strain heterogeneities that develop in grains during deformation. For a long time, comparison between continuum crystal plasticity and experimental field measurements was confined to the observation of surface behaviour. As for example the study of the development of intense deformation bands at the free surface of a polycrystal. Recent 3D experimental techniques open new perspectives in computational crystal plasticity. After reviewing how to define a representative volume element for polycrystal properties and showing that actual 3D computations, including grain shapes and orientations, are really needed to accurately determine the stress and strains distributions, two examples of applications of large scale simulations are described in this paper. First the simulation of 3D coherent X-ray diffraction in a polycrystalline gold sample is detailed. Based on the real geometry of the grains and their columnar nature, a 3D avatar is reconstructed. FE computations are then carried out to evaluate the effect of mechanical and thermal strain of the diffraction pattern resolved in the reciprocal space by complex FFT. Qualitative comparison with the experimental diffraction patterns shows that such computations can help understand the true nature of strain heterogeneities within the material. The second example of application deals with short fatigue crack propagation in polycrystals. One fundamental problem caused by short fatigue cracks is that despite decades of research, so far no reliable prediction of the crack propagation rates, comparable to the well-known Paris law in the long crack regime, could be established. This ``anomalous'' behaviour of short cracks is commonly attributed to factors like their complex three dimensional shapes and the influence of the local crystallographic environment affecting their propagation behaviour via a combination of physical mechanisms. Crystal plasticity computations based on the real grain shapes and orientations obtained thanks to diffraction contrast tomography are carried out using an ideal crack shape. The stress concentration at the crack tip is analysed with respect to possible crack growth directions.