4 papers
Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization
Louis E. S. Hoffenberg, Alexander Khrabry, Yuri Barsukov +2
In this work, the melting phase transitions of nanoclusters with atoms are investigated using classical many-body molecular dynamics simulations. For…
Gibbs free energies of Fe clusters can be approximated by Tolman correction to accurately model cluster nucleation and growth
Alexander Khrabry, Louis E. S. Hoffenberg, Igor D. Kaganovich +2
Accurate Gibbs free energies of Fe clusters are required for predictive modeling of Fe cluster growth during condensation of a cooling vapor. We present a straightforward method of…
Methods for color center preserving hydrogen-termination of diamond
Daniel J. McCloskey, Daniel Roberts, Lila V. H. Rodgers +6
Chemical functionalization of diamond surfaces by hydrogen is an important method for controlling the charge state of near-surface fluorescent color centers, an essential process i…
Quantum Chemistry Model of Surface Reactions and Kinetic Model of Diamond Growth: Effects of CH3 Radicals and C2H2 Molecules at Low-Temperatures CVD
Yuri Barsukov, Igor D. Kaganovich, Mikhail Mokrov +1
The objective of this study is to explore conditions that facilitate a significant reduction in substrate temperature during diamond growth. The typical temperature for this proces…