arXiv subjects

Baptiste Gault

Publications and source records attributed to Baptiste Gault.

162 records · Page 9Linked to original sources

arXiv2018

Atomic-scale investigation of hydrogen distribution in a Ti-Mo alloy

Ingress of hydrogen is often linked to catastrophic failure of Ti-alloys. Here, we quantify the hydrogen distribution in fully \b{eta} and α+\b{eta} Ti-Mo alloys by using atom probe tomography. Hydrogen does not segregate at grain boundaries in the fully \b{eta} sample but segregates at some α/\b{eta} phase boundaries with a composition exceeding 20 at.% in the α+\b{eta} sample. No stable hydrides were observed in either sample. The hydrogen concentration in \b{eta} phases linearly decreases from ~13 at. % to ~4 at. % with increasing Mo-content, which is ascribed to the suppression of hydrogen uptake by Mo addition.

cond-mat.mtrl-sci↗

arXiv2018

On the segregation of Re at dislocations in the γ' phase of Ni-based single crystal superalloys

We report evidence of Re and Mo segregation (up to 2.6 at.% and 1 at.%) along with Cr and Co to the dislocations inside of γ' precipitates in a second generation Ni-based single crystal superalloy, after creep deformation at 750°C under an applied stress of 800 MPa. The observed segregation effects can be rationalized through bridging the solute partitioning behavior across the γ/γ' interface and the pipe diffusion mechanism along the core of the dislocation line. This understanding can provide new insights enabling improved alloy design.

cond-mat.mtrl-sci↗

arXiv2018

Segregation assisted grain boundary precipitation in a model Al-Zn-Mg-Cu alloy

Understanding the composition evolution of grain boundaries and grain boundary precipitation at near-atomic scale in aluminum alloys is crucial to tailor mechanical properties and to increase resistance to corrosion and stress corrosion cracking. Here, we elucidate the sequence of precipitation on grain boundaries in comparison to the bulk in a model Al-Zn-Mg-Cu alloy. We investigate the material from the solution heat treated state (475{\textdegree}C), through the very early stages of aging to the peak aged state at 120{\textdegree}C and further into the overaged regime at 180{\textdegree}C. The process starts with solute enrichment on grain boundaries due to equilibrium segregation accompanied by solute depletion in their vicinity, the formation of Guinier--Preston (GP) zones in the solute-enriched grain boundary regions, and GP zones growth and transformation. The equilibrium segregation of solutes to grain boundaries during aging accelerates this sequence compared to the bulk. Analysis of the ~10 nm wide precipitate-free zones (PFZs) adjacent to the solute-enriched grain boundaries 2 shows that the depletion zones are determined by (i) interface equilibrium segregation; (ii) formation and coarsening of the grain boundary precipitates and (iii) the diffusion range of solutes in the matrix. In addition, we quantify the difference in kinetics between grain boundary and bulk precipitation. The precipitation kinetics, as observed in terms of volume fraction, average radius, and number density, is almost identical next to the depletion zone in the bulk and far inside the bulk grain remote from any grain boundary influence. This observation shows that the region influenced by the grain boundaries does not extend beyond the PFZs.

cond-mat.mtrl-sci↗

arXiv2018

Parameter free quantitative analysis of atom probe data by correlation functions: Application to the precipitation in Al-Zn-Mg-Cu

Atom probe tomography enables precise quantification of the composition of second phase particles from their early stages, leading to improved understanding of the thermodynamic and kinetic mechanisms of phase formation and quantify structure-property relationships. Here we demonstrate how approaches developed for small-angle scattering can be adapted to atom probe tomography. By exploiting nearest-neighbor distributions and radial distribution function, we introduce a parameter free methodology to efficiently extract information such as particle size, composition, volume fraction, number density and inter-particle distance. We demonstrate the strength of this approach in the analysis of a precipitation-hardened model Al-Zn-Mg-Cu high-strength lightweight alloy.

cond-mat.mtrl-sci↗

arXiv2018

The Laplace project: an integrated suite for correlative atom probe tomography and electron microscopy under cryogenic and UHV conditions

We present sample transfer instrumentation and integrated protocols for the preparation and correlative characterization of environmentally-sensitive materials by both atom probe tomography and electron microscopy. Ultra-high vacuum cryogenic suitcases allow specimen transfer between preparation, processing and several imaging platforms without exposure to atmospheric contamination. For expedient transfers, we installed a fast-docking station equipped with a cryogenic pump upon three systems; two atom probes, a scanning electron microscope / Xe-plasma focused ion beam and a N$_2$-atmosphere glovebox. We also installed a plasma FIB with a solid-state cooling stage to reduce beam damage and contamination, through reducing chemical activity and with the cryogenic components as passive cryogenic traps. We demonstrate the efficacy of the new laboratory protocols by the successful preparation and transfer of two highly contamination- and temperature-sensitive samples - water and ice. Analysing pure magnesium atom probe data, we show that surface oxidation can be effectively suppressed using an entirely cryogenic protocol (during specimen preparation and during transfer). Starting with the cryogenically-cooled plasma FIB, we also prepared and transferred frozen ice samples while avoiding significant melting or sublimation, suggesting that we may be able to measure the nanostructure of other normally-liquid or soft materials. Isolated cryogenic protocols within the N$_2$ glove box demonstrate the absence of ice condensation suggesting that environmental control can commence from fabrication until atom probe analysis.

cond-mat.mtrl-sci↗

arXiv2018

Characterizing solute hydrogen and hydrides in pure and alloyed titanium at the atomic scale

Ti has a high affinity for hydrogen and is a typical hydride formers. Ti-hydride are brittle phases which probably cause premature failure of Ti-alloys. Here, we used atom probe tomography and electron microscopy to investigate the hydrogen distribution in a set of specimens of commercially pure Ti, model and commercial Ti-alloys. Although likely partly introduced during specimen preparation with the focused-ion beam, we show formation of Ti-hydrides along α grain boundaries and α/\b{eta} phase boundaries in commercial pure Ti and α+\b{eta} binary model alloys. No hydrides are observed in the α phase in alloys with Al addition or quenched-in Mo supersaturation.

cond-mat.mtrl-sci↗

arXiv2017

Advanced data mining in field ion microscopy

Field ion microscopy (FIM) allows to image individual surface atoms by exploiting the effect of an intense electric field. Widespread use of atomic resolution imaging by FIM has been hampered by a lack of efficient image processing/data extraction tools. Recent advances in imaging and data mining techniques have renewed the interest in using FIM in conjunction with automated detection of atoms and lattice defects for materials characterization. After a brief overview of existing routines, we review the use of machine learning (ML) approaches for data extraction with the aim to catalyze new data-driven insights into high electrical field physics. Apart from exploring various supervised and unsupervised ML algorithms in this context, we also employ advanced image processing routines for data extraction from large sets of FIM images. The outcomes and limitations of such routines are discussed, and we conclude with the possible application of energy minimization schemes to the extracted point clouds as a way of improving the spatial resolution of FIM.

physics.app-ph↗

arXiv2017

A nexus between 3D atomistic data hybrids derived from atom probe microscopy and computational materials science: a new analysis of solute clustering in Al-alloys

Solute clusters affect the physical properties of alloys. Knowledge of the atomic structure of solute clusters is a prerequisite for material optimisation. In this study, solute clusters in a rapid-hardening Al-Cu-Mg alloy were characterised by a combination of atom probe tomography and density functional theory, making use of a hybrid data type that combines lattice rectification and data completion to directly input experimental data into atomistic simulations. The clusters input to the atomistic simulations are thus observed experimentally, reducing the number of possible configurations. Our results show that spheroidal, compact clusters are more energetically favourable and more abundant.

cond-mat.mtrl-sci↗

arXiv2016

Reflections on the projection of ions in atom probe tomography

There are two main projections used to transform, and reconstruct, field ion micrographs or atom probe tomography data into atomic coordinates at the specimen surface and, subsequently, in three-dimensions. In this article, we present a perspective on the strength of the azimuthal equidistant projection in comparison to the more widely used and well-established point-projection(or pseudo-stereographic projection), which underpins data reconstruction in most software packages currently in use across the community. After an overview of the reconstruction methodology, we demonstrate that the azimuthal equidistant is more robust with regards to errors on the parameters used to perform the reconstruction and is therefore more likely to yield more accurate tomographic reconstructions.

physics.ins-det↗

arXiv2016

Behavior of molecules and molecular ions near a field emitter

The cold emission of particles from surfaces under intense electric fields is a process which underpins a variety of applications including atom probe tomography (APT), an analytical microscopy technique with near-atomic spatial resolution. Increasingly relying on fast laser pulsing to trigger the emission, APT experiments often incorporate the detection of molecular ions emitted from the specimen, in particular from covalently or ionically bonded materials. Notably, it has been proposed that neutral molecules can also be emitted during this process. However, this remains a contentious issue. To investigate the validity of this hypothesis, a careful review of the literature is combined with the development of new methods to treat experimental APT data, the modelling of ion trajectories, and the application of density-functional theory (DFT) simulations to derive molecular ion energetics. It is shown that the direct thermal emission of neutral molecules is extremely unlikely. However, neutrals can still be formed in the course of an APT experiment by dissociation of metastable molecular ions.

physics.ins-det↗

arXiv2015

Microstructural evolution during ageing of Al-Cu-Li-x alloys

In this study atom probe tomography was used to investigate the microstructure of AA2198 (Al-1.35Cu-3.55Li-0.29Mg-0.08Ag) over a range of ageing conditions to examine the evolution of phases in the alloy, in particular aiming to reveal the nucleation mechanism of the strengthening T1 phase, which has been under debate for decades. T1 precursor phases were observed from early ageing, a significant number of which were connected to solute-enriched dislocations. Ag and Mg segregation to T1 interfaces was convincingly observed when the plates were oriented perpendicular to the probing direction, which is the condition under which the spatial resolution of the atom probe data is highest.

cond-mat.mtrl-sci↗

arXiv2015

Atom probe microscopy investigation of Mg site occupancy within δ precipitates in an Al Mg Li alloy

The composition and site occupancy of Mg within ordered δ precipitates in a model Al Mg Li alloy have been characterized by atom probe microscopy and first-principles simulations. The concentration in the precipitates is found to be almost the same as that of the matrix, however, we show evidence that Mg partitions to the sites normally occupied by Li in the L12 structure. Density functional calculations demonstrate that this partition is energetically favorable, in agreement with experimental results.

cond-mat.mtrl-sci↗

arXiv2015

Some aspects of the field evaporation behaviour of GaSb

In-depth analysis of pulsed laser atom probe tomography (APT) data on the field evaporation of the III V semiconductor material GaSb reveals strong variations in charge states, relative abundances of different cluster ions, multiplicity of detector events and spatial correlation of evaporation events, as a function of the effective electric field at the specimen surface. These variations are discussed in comparison with the behaviour of two different metallic specimen materials, an Al-6XXX series alloy and pure W, studied under closely related experimental conditions in the same atom probe instrument. It is proposed that the complex behaviour of GaSb originates from a combination of spatially correlated evaporation events and the subsequent field induced dissociation of cluster ions, the latter contributing to inaccuracies in the overall atom probe composition determination for this material.

physics.atm-clus↗

arXiv2015

Estimation of the reconstruction parameters for Atom Probe Tomography

The application of wide field-of-view detection systems to atom probe experiments emphasizes the importance of careful parameter selection in the tomographic reconstruction of the analysed volume, as the sensitivity to errors rises steeply with increases in analysis dimensions. In this paper, a self-consistent method is presented for the systematic determination of the main reconstruction parameters. In the proposed approach, the compression factor and the field factor are determined using geometrical projections from the desorption images. A 3D Fourier transform is then applied to a series of reconstructions and, comparing to the known material crystallography, the efficiency of the detector is estimated. The final results demonstrate a significant improvement in the accuracy of the reconstructed volumes.

physics.ins-det↗

arXiv2015

Spatial resolution in atom probe tomography

This article addresses gaps in definitions and a lack of standard measurement techniques to assess the spatial resolution in atom probe tomography. This resolution is known to be anisotropic, being better in the depth than laterally. Generally the presence of atomic planes in the tomographic reconstruction is considered as being a sufficient proof of the quality of the spatial resolution of the instrument. Based on advanced spatial distribution maps, an analysis methodology that interrogates the local neighborhood of the atoms within the tomographic reconstruction, it is shown how both the in-depth and the lateral resolution can be quantified. The influences of the crystallography and the temperature are investigated, and models are proposed to explain the observed results. We demonstrate that the absolute value of resolution is specimenspecific.

physics.ins-det↗

arXiv2015

Atom Probe Tomography Spatial Reconstruction: Status and Directions

In this review we present an overview of the current atom probe tomography spatial data reconstruction paradigm, and explore some of potential routes to improve the current methodology in order to yield a more accurate representation of nanoscale microstructure. Many of these potential improvement methods are directly tied to extensive application of advanced numerical methods, which are also very briefly reviewed. We have described effects resulting from the application of the standard model and then introduced several potential improvements, first in the far field, and, second, in the near field. The issues encountered in both cases are quite different but ultimately they combine to determine the spatial resolution of the technique.

cond-mat.mtrl-sci↗

arXiv2015

Impact of directional walk on atom probe microanalysis

In the atom probe microanalysis of steels, inconsistencies in the measured compositions of solutes (C, N) have often been reported, as well as their appearance as molecular ions. Here we propose that these issues might arise from surface migration of solute atoms over the specimen surface. Surface migration of solutes is evidenced by field-ion microscopy observations, and its consequences on atom probe microanalysis are detailed for a wide range of solute (P, Si, Mn, B, C, N). It is proposed that directional walk driven by field gradients over the specimen surface and thermally activated is the prominent effect.

cond-mat.mtrl-sci↗

arXiv2015

Dynamic reconstruction for atom probe tomography

Progress in the reconstruction for atom probe tomography has been limited since the first implementation of the protocol proposed by Bas et al. in 1995. This approach, and those subsequently developed, assume that the geometric parameters used to build the three-dimensional atom map are constant over the course of an analysis. Here, we test this assumption within the analyses of low-alloyed materials. By building upon methods recently proposed to measure the tomographic reconstruction parameters, we demonstrate that this assumption can introduce significant limitations in the accuracy of the analysis. Moreover, we propose a strategy to alleviate this problem through the implementation of a new reconstruction algorithm that dynamically accommodates variations in the tomographic reconstruction parameters.

cond-mat.mtrl-sci↗