Particle Size Effects of Ion Crystallites

Abstract

The cohesive energy of cubes (NaC1) (4 5 N 5 500) is optimized, changing the uniformly assumed size-dependent nearest-neighbour ion pair distance, by means of summation of pair potentials. Formulae of particle size effects of energy-dependent quantitiescompressibility, surface energy, surface tension, pressure, and chemical potentialare derived analytically. Despite of the longrange order of the Coulomb interaction of ions, all the investigated size effects are dominated by the topology of the particles.Die Kohesionsenergie von Wiirfeln (NaCI)N (4 5 N 5 500) wird als Summe von Paar-Potentialen durch Anderung eines teilchengrofienabhingigen, innerhalb eines Wiirfels uniformen, kiirzesten Ionen-Paarabstands optimiert. Darauf aufbauend werden analytische Formeln fur die Size-Effekte energieabhangiger GroRen -KompressibilitLt, Oberflachenenergie, Oberflichenspannung, Druck und chemisches Potentialabgeleitet. Die untersuchten Effekte werden trotz der weitreichenden Coulomb-Wechselwirkungen der Ionen hauptsichlich von den Topologien der Teilchen bestimmt.

Point-defect thermodynamics and size effects

“…in the mass action conMore precisely, if surface and bulk energies are stants K) and in the conductivities (i.e. in both K and superimposed as a(L)N2/3 + /3(L)N, a and 63 are u) if L s< t. quite insensitive with thickness as the plot of E/N 21 3 In cases in which the Debye-length is significant, vs. N'13 shows [52]. The situation seems to be we will then have to face two mesoscopic regimes as similar in noble metals: The melting temperature indicated in Fig.…”