arXiv subjects

Michael P. Moody

Publications and source records attributed to Michael P. Moody.

14 recordsLinked to original sources

arXiv2026

Corrosion Evolution of T91 Steel in Static Lead-Bismuth Eutectic Under an Oxidising Environment

Understanding corrosion in liquid metal-cooled nuclear systems is essential in order be able to control it. While much literature exists detailing corrosion rates and mechanisms of structural materials in liquid metals, much still remains to be discovered in new regimes of temperature, chemistry, and impurity content. We focus on a less-studied set of conditions, specifically to investigate how liquid lead-bismuth eutectic (LBE) corrodes ferritic/martensitic steels under high-temperature oxidizing conditions. We find that the evolution of corrosion is determined by the formation of protection layer on the surface. The area without effective protection layer experiences oxidation along martensite grain boundaries, transitioning from intergranular attack to broader area corrosion as it progresses. The area a stable, coherent oxide scale will slow the corrosion process and then is oxidized along pre-austenite grain boundaries. Both chromium and oxygen diffusion play vital roles in this process. Most surprisingly, a layer of iron enriched body-centred cubic phase forms on the surface of LBE-corroded T91, contradicting previous studies, which reported only oxide-based surface layers.

cond-mat.mtrl-sci↗

arXiv2019

Reflections on the analysis of interfaces and grain boundaries by atom probe tomography

Interfaces play critical roles in materials, and are usually both structurally and compositionally complex microstructural features. The precise characterization of their nature in three-dimensions at the atomic-scale is one of the grand challenges for microscopy and microanalysis, as this information is crucial to establish structure-property relationships. Atom probe tomography is well-suited to analyzing the chemistry of interfaces at the nanoscale. However, optimizing such microanalysis of interfaces requires great care in the implementation across all aspects of the technique, from specimen preparation to data analysis and ultimately the interpretation this information. This article provides critical perspectives on key aspects pertaining to spatial resolution limits and the issues with compositional analysis that can limit the quantification of interface measurements. Here, we use the example of grain boundaries in steels, however the results are applicable for the characterization of grain boundaries and transformation interfaces in a very wide range of industrially relevant engineering materials.

cond-mat.mtrl-sci↗

arXiv2019

The Kinetics of Primary Alpha Plate Growth in Titanium Alloys

The kinetics of primary alpha-Ti colony/Widmanstatten plate growth from the beta are examined, comparing model to experiment. The plate growth velocity depends sensitively both on the diffusivity D(T) of the rate-limiting species and on the supersaturation around the growing plate. These result in a maxima in growth velocity around 40 K below the transus, once sufficient supersaturation is available to drive plate growth. In Ti-6246, the plate growth velocity was found to be around 0.32 um min-1 at 850 oC, which was in good agreement with the model prediction of 0.36 um min-1 . The solute field around the growing plates, and the plate thickness, was found to be quite variable, due to the intergrowth of plates and soft impingement. This solute field was found to extend to up to 30 nm, and the interface concentration in the beta was found to be around 6.4 at.% Mo. It was found that increasing O content will have minimal effect on the plate lengths expected during continuous cooling; in contrast, Mo approximately doubles the plate lengths obtained for every 2 wt.% Mo reduction. Alloys using V as the beta stabiliser instead of Mo are expected to have much faster plate growth kinetics at nominally equivalent V contents. These findings will provide a useful tool for the integrated design of alloys and process routes to achieve tailored microstructures.

cond-mat.mtrl-sci↗

arXiv2019

DF-Fit : A robust algorithm for detection of crystallographic information in Atom Probe Tomography data

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution functions, as per existing algorithms, but eliminates an unnecessary parameter as compared to current methods. By examining traditional distribution functions in an automated fashion in real space, rather than using Fourier transform approaches, we utilise an error metric based upon the expected value for a spatially random distribution for detecting crystallography. We show cases where the metric is able to successfully obtain orientation information, and show that it can function with high levels of additive and displacive background noise. We additionally compare this metric to Fourier transform methods, showing fewer artefacts when examining simulated datasets. An extension of the approach is used to aid the automatic detection of high-quality data regions within an entire dataset, albeit with a large increase in computational cost. This extension is demonstrated on acquired Aluminium and Tungsten APT datasets, and shown to be able to discern regions of the data which have relatively improved spatial data quality. Finally, this program has been made available for use in other laboratories undertaking their own analyses.

cond-mat.mtrl-sci↗

arXiv2019

A gas-phase reaction cell for modern Atom Probe systems

In this work, we demonstrate a new system for the examination of gas interactions with surfaces via Atom Probe Tomography. This system provides the capability to examine the surface and subsurface interactions of gases with a wide range of specimens, as well as a selection of input gas types. This system has been primarily developed to aid the investigation of hydrogen interactions with metallurgical samples, to better understand the phenomenon of hydrogen embrittlement. In its current form, it is able to operate at pressures from 10^-6 to 1000 mbar (abs), can operate using a variety of gasses, and is equipped with heating and cryogenic quenching capabilities. We use this system to examine the interaction of hydrogen with Pd, as well as the interaction of water vapour and oxygen in Mg samples.

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↗

arXiv2018

Extending Continuum Models for Atom Probe Simulation

This work describes extensions to existing level-set algorithms developed for application within the field of Atom Probe Tomography (APT). We present a new simulation tool for the simulation of 3D tomographic volumes, using advanced level set methods. By combining narrow-band, B-Tree and particle-tracing approaches from level-set methods, we demonstrate a practical tool for simulating shape changes to APT samples under applied electrostatic fields, in three dimensions. This work builds upon our previous studies by allowing for non-axially symmetric solutions, with minimal loss in computational speed, whilst retaining numerical accuracy.

physics.comp-ph↗

arXiv2017

Atom Probe Analysis of Ex Situ Gas-Charged Stable Hydrides

In this work, we report on the atom probe tomography analysis of two metallic hydrides formed by pressurized charging using an ex situ hydrogen charging cell, in the pressure range of 200-500 kPa (2-5 bar). Specifically we report on the deuterium charging of Pd/Rh and V systems. Using this ex situ system, we demonstrate the successful loading and subsequent atom probe analysis of deuterium within a Pd/Rh alloy, and demonstrate that deuterium is likely present within the oxide-metal interface of a native oxide formed on vanadium. Through these experiments, we demonstrate the feasibility of ex situ hydrogen analysis for hydrides via atom probe tomography, and thus a practical route to three-dimensional imaging of hydrogen in hydrides at the atomic scale.

cond-mat.mtrl-sci↗

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

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

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

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

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↗