3 citations · 5 across the 7 of their papers we have counts for
4 papers · 1 filter
A generalized and adaptable tensor-contraction-based cluster expansion formalism for multicomponent solids
Jacob Jeffries, Bochuan Sun, Enrique Martinez
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-co…
Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate
Jacob Jeffries, Himanshu Singh, Romain Perriot +3
In this work, we develop an atomistic, graph-based kinetic Monte Carlo (KMC) simulation routine to predict crystal morphology. Within this routine, we encode the state of the super…
Thermal gradient effect on hydrogen transport in tungsten
Sanad Alturk, Jacob Jeffries, Muhammed Kose +1
One key challenge for efficiency and safety in fusion devices is the retention of tritium (T) in plasma-facing components. Tritium retention generates radioactive concerns and decr…
Diffusion in a -dimensional rough potential
Jacob Jeffries, Emilio Mendoza Reyes, Fadi Abdeljawad +2
The prediction of diffusion in solids is necessary to understand the microstructure evolution in materials out of equilibrium. Although one can reasonably predict diffusive transpo…