29 citations · 63 across the 7 of their papers we have counts for
6 papers · 1 filter
Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems
Massimiliano Lupo Pasini, Pei Zhang, Samuel Temple Reeve +1
We introduce a multi-tasking graph convolutional neural network, HydraGNN, to simultaneously predict both global and atomic physical properties and demonstrate with ferromagnetic m…
Online simulation powered learning modules for materials science
Samuel Temple Reeve, David M. Guzman, Lorena Alzate-Vargas +3
Simulation tools are playing an increasingly important role in materials science and engineering and beyond their well established importance in research and development, these too…
Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures
Samuel Temple Reeve, Karthik Guda Vishnu, Alexis Belessiotis-Richards +1
Molecular dynamics simulations show that coherent precipitates can significantly affect the properties of martensitic transformations in NiAl alloys. The precipitates…
Ferroelectricity in free standing perovskite-based nanodots: A density functional theory study
Karthik Guda Vishnu, Samuel Temple Reeve, Alejandro Strachan
We use density functional theory to investigate the possibility of polar and multiferroic states in free-standing, perovskite-based nanodots at their limit of miniaturization: sing…
Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering
Saaketh Desai, Samuel Temple Reeve, Karthik Guda Vishnu +1
We explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free e…
Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields
Samuel Temple Reeve, Karthik Guda Vishnu, Alejandro Strachan
While most phase transformations, e.g. ferroelectric or ferromagnetic, can be first or second order depending on external applied fields, martensitic transformations in metallic al…