473 citations · 703 across the 15 of their papers we have counts for
15 papers
Scaling Kinetic Monte-Carlo Simulations of Grain Growth with Combined Convolutional and Graph Neural Networks
Zhihui Tian, Ethan Suwandi, Tomas Oppelstrup +3
Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain b…
Dynamic Density Functional Theory of Multicomponent Cellular Membranes
Liam G. Stanton, Tomas Oppelstrup, Timothy S. Carpenter +4
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within t…
Nucleation of Grain Boundary Phases
Ian S. Winter, Robert E. Rudd, Tomas Oppelstrup +1
We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defe…
Metal hardening in atomistic detail
Luis A. Zepeda-Ruiz, Alexander Stukowski, Tomas Oppelstrup +4
Through millennia humans exploited the natural property of metals to get stronger or hardened when mechanically deformed. Ultimately rooted in the motion of dislocations, mechanism…
Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects
Timofey Frolov, Qiang Zhu, Tomas Oppelstrup +2
We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of gra…
Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media
C. Chen, S. Aubry, T. Oppelstrup +2
In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-…