Mark Fedorov Jan S. Wróbel Andrew J. London Krzysztof J. Kurzydłowski Chu-Chun Fu Tonči Tadić Sergei L. Dudarev Duc Nguyen-Manh
Using exchange Monte Carlo (MC) simulations based on an ab initio-parameterized Cluster Expansion (CE) model, we explore the phase stability of low-Cr Fe-Cr alloys as a function of vacancy (Vac), carbon, and nitrogen interstitial impurity content. To parameterise the CE model, we perform density functional theory calculations for more than 1600 …
Preprint PublishedBin Zhu Nathanael Leung Winfried Kockelmann Saurabh Kabra Andrew J. London Michael Gorley Mark J. Whiting Yiqiang Wang Tan Sui
Eurofer97 steel is a primary structural material for the plasma facing-components of future fusion reactors. Laser welding is a promising technique that can overcome the challenges of remote handling and maintenance. However, the interaction of the induced residual stress distribution with the heterogeneous microstructure may degrade the mechanical…
Preprint PurchasePhillip Gopon James O. Douglas Frederick Meisenkothen Jaspreet Singh Andrew J. London Michael P. Moody
Using a combination of simulated data and pyrite isotopic reference materials, we have refined a methodology to obtain quantitative δ34S measurements from atom probe tomography (APT) datasets. This study builds on previous attempts to characterize relative 34S/32S ratios in gold containing pyrite using APT. We have also improved our understand…
PreprintMarkus Kuhbach Andrew J. London Jing Wang Daniel K. Schreiber FranciscaMendez-Martin Iman Ghamarian Huma Bilal Anna Ceguerra
Atom probe tomography and related methods probe the 3D architecture of a material. Which software tools microscopists use and how these tools are connected into work flows makes a substantial contribution to the accuracy and precision of a materials characterization experiment. Typically, the tools of a specific community adapt results and methods …
PreprintSuchandrima Das Daniel R. Mason Peter M. Derlet Sergei L. Dudarev Andrew London Hongbing Yu Nicholas Phillips David Yang Kenichiro Mizohata Ruqing Xu Felix Hofmann
Combining spatially resolved X-ray Laue diffraction with atomic-scale simulations, we observe how ion-irradiated tungsten undergoes a series of non-linear structural transformations with increasing irradiation exposure. Nanoscale defect-induced deformations accumulating above 0.02 displacements per atom (dpa) lead to highly fluctuating strains at ~…
Preprint PublishedDaniel R. Mason Andrew J. London
We present a morphological analysis of atom probe data of nanoscale microstructural features, using methods developed by the astrophysics community to describe the shape of superclusters of galaxies. We describe second-phase regions using Minkowski functionals, representing the regions’ volume, surface area, mean curvature and Euler characteristi…
Preprint PublishedChris Hardie Andrew J. London Joven J. H. Lim Rob Bamber Tonci Tadic Marin Vuksic Stjepko Fazinic
The effects of radiation damage on materials are strongly dependant on temperature, making it arguably the most significant parameter of concern in nuclear engineering. Owing to the challenges and expense of irradiating and testing materials, material property data is often limited to few irradiation conditions and material variants. A new techniqu…
Preprint Published