76 citations
4 papers
First Principles Validation of Energy Barriers in NiAl
Adam Fisher, Julie B. Staunton, Huan Wu +1
Precipitates in Nickel-based superalloys form during heat treatment on a time scale inaccessible to direct molecular dynamics simulation, but could be studied using kinetic Monte C…
Materials data validation and imputation with an artificial neural network
P. C. Verpoort, P. MacDonald, G. J. Conduit
We apply an artificial neural network to model and verify material properties. The neural network algorithm has a unique capability to handle incomplete data sets in both training…
Kinetics of fragmentation and dissociation of two-strand protein filaments: Coarse-grained simulations and experiments
A. Zaccone, I. Terentjev, T. W. Herling +3
While a significant body of investigations have been focused on the process of protein self-assembly, much less is understood about the reverse process of a filament breaking due t…
Fragmentation and depolymerization of non-covalently bonded filaments
A. Zaccone, I. Terentjev, L. DiMichele +1
Protein molecules often self-assemble by means of non-covalent physical bonds to form extended filaments, such as amyloids, F-actin, intermediate filaments, and many others. The ki…