33 citations · 98 across the 12 of their papers we have counts for
4 papers · 1 filter
Three-dimensional nucleation and growth of deformation twins in magnesium
Sangwon Lee, Michael Pilipchuk, Can Yildirim +9
At two-thirds the weight of aluminum, magnesium alloys have the potential to significantly reduce the fuel consumption of transportation vehicles. These advancements depend on our…
First principles study of electron transport through diarythylene transition metal dichalcogenide molecular switch
A. Ramazani, F. Shayeganfar, V. Sundararaghavan +1
Computational methods are fast becoming an integral part of nanoelectronics design process. With increasing computational power, electron transport simulation methods such as Non-e…
Understanding defect structures in metal additive manufacturing via molecular dynamics
Gurmeet Singh, Anthony M. Waas, Veera Sundararaghavan
Additive manufacturing of a single crystalline metallic column is studied using molecular dynamics simulations. In the model, a melt pool is incrementally added and cooled to a tar…
Modeling Self-Healing Behavior of Vitrimers using Molecular Dynamics with Dynamic Cross-Linking Capability
Gurmeet Singh, Veera Sundararaghavan
Vitrimers are a special class of polymers that undergo dynamic cross-linking under thermal stimuli. Their ability to exchange covalent bonds can be harnessed to mitigate damage in…