14 citations · 20 across the 4 of their papers we have counts for
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Atomistic Simulations of H-Cu Vacancy Cosegregation and H Diffusion in Cu Grain Boundary
Vasileios Fotopoulos, Alexander L. Shluger
Hydrogen embrittlement remains a critical challenge in structural and electronic applications of copper (Cu) but its mechanism is still not fully understood. In this study, we comb…
First principles study on the segregation of metallic solutes and non-metallic impurities in Cu grain boundary
Vasileios Fotopoulos, Jack Strand, Manuel Petersmann +1
Metallic dopants have the potential to increase the mechanical strength of polycrystalline metals. These elements are expected to aggregate in regions of lower coordination, such a…
Modeling the effects of varying Ti concentration on the mechanical properties of Cu-Ti alloys
Vasileios Fotopoulos, Corey S. O'Hern, Mark D. Shattuck +1
The mechanical properties of Cu-Ti alloys have been characterized extensively through experimental studies. However, a detailed understanding of why the strength of Cu increases af…
Simulation of mechanical effects of hydrogen in bicrystalline Cu using DFT and bond order potentials
Vasileios Fotopoulos, Alexander L. Shluger
Hydrogen embrittlement is a prime cause of several degradation effects in metals. Since grain boundaries (GBs) act efficiently as sinks for hydrogen atoms, H is thought to segregat…