261 citations · 2.2k across the 46 of their papers we have counts for
46 papers
Thermodynamics and dynamics of non-compact prismatic dislocation loops simulated using a machine-learning model
Sho Hayakawa, Sergei L. Dudarev, Max Boleininger
We explore how the thermodynamic properties and dynamics of a self-interstitial prismatic dislocation loop are affected by microscopic-scale variations in its geometric configurati…
Review of point defect structures in hexagonal close packed metals and across the Periodic Table
Andrew Ralph Warwick, Pui-Wai Ma, Sergei Lvovich Dudarev
We present a comprehensive ab initio dataset of formation energies and elastic properties of intrinsic point defects across all the transition and rare earth hexagonal close packed…
Atomistic simulations of athermal irradiation creep and swelling of copper and tungsten in the high dose limit
Luca Reali, Max Boleininger, Daniel R. Mason +1
Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initia…
Negative Temperature in Spin Dynamics Simulations
Pui-Wai Ma, Sergei L. Dudarev
A simple and computationally efficient algorithm enables implementing negative temperature values in a spin dynamics simulation. The algorithm uses a Langevin spin dynamics thermos…
Simulated TEM imaging of a heavily irradiated metal
D. R. Mason, M. Boleininger, J. Haley +4
We recast the Howie-Whelan equations for generating simulated transmission electron microscope (TEM) images, replacing the dependence on local atomic displacements with atomic posi…
Fast low-temperature irradiation creep driven by athermal defect dynamics
Alexander Feichtmayer, Max Boleininger, Johann Riesch +7
The occurrence of high stress concentrations in reactor components is a still intractable phenomenon encountered in fusion reactor design. We observe and quantitatively model a non…