Molecular-dynamics study of self-diffusion: Iridium dimers on iridium surfaces

Correlated Jump-Exchange Processes in the Diffusion of Ag on Ag(110)

“…Silver is modeled by many-body potentials of the kind developed by Rosato, Guillopé, and Legrand (RGL) [14,15] on the basis of the second-moment approximation to the tight-binding model [16]. Those potentials describe correctly relaxations and reconstructions of noble metals [15]; recently, they have been employed in the simulation of adatom and dimer diffusion on fcc transition metal surfaces [17,18]. In particular, it results that RGL potentials predict, in agreement with all known experimental results, whether exchange-mediated diffusion is a favorable process on different flat surfaces of the above metals [17].…”

Molecular Dynamics Simulations of the Coalescence of Iridium Clusters

“…The diffusion of iridium atoms has been studied only by a limited number of groups. − ,,, Wang and Ehrlich used field ion microscopy (FIM) to find that iridium clusters from 18 to 39 atoms diffuse across the Ir(111) surface . Chen and Tsong also found by FIM that the step atoms of the Ir(011) surface diffuse along the steps .…”

“…Chen and Tsong also found by FIM that the step atoms of the Ir(011) surface diffuse along the steps . From a theoretical perspective, Shiang and Tsong used MD to study the diffusion of Ir dimers on Ir surfaces, and Habar et al studied adatoms on Ir(111) …”

“…[5][6][7][8] When placed on surfaces, cluster buildup can be accomplished by diffusion of smaller clusters into larger ones. 19,20,24,26,27 This diffusion can also lead to aggregation and a loss of size-based activity, known as sintering. 40,53 Previous studies on the coalescence of metal nanoparticles have employed molecular dynamics (MD) and Monte Carlo (MC) methods.…”

“…Cluster growth and stability have been studied both experimentally and theoretically. − ,− When placed on surfaces, cluster buildup can be accomplished by diffusion of smaller clusters into larger ones. ,,,, This diffusion can also lead to aggregation and a loss of size-based activity, known as sintering. , Previous studies on the coalescence of metal nanoparticles have employed molecular dynamics (MD) and Monte Carlo (MC) methods. − ,, Hawa et al used MD with a Stillinger−Weber potential to study the coalescence of both equal 36 and unequal 37 sized silicon nanoparticles. Zeng et al studied Au and Cu nanoparticle sintering using MD with an embedded atom potential .…”