Size dependence of vacancy formation energy of metallic nanoparticles

Size dependence of nanostructures: Impact of bond order deficiency

“…16 compares the predictions of the two models. At the lower end of the size limit (K j ¼ 1.5), the particle contracts by 40% associated with 12% reduction of the E B according to Brook's convention [257]. In comparison, the BOLS correlation predicts a 25% bond contraction and 70% lower for the E B of the smallest size.…”

“…Qi and Wang [257] have extended Brook's approach to nanostructures by assuming that the G and the g 0 of a nanosolid remain the bulk values. The key factor influencing the E p of a spherical dot of diameter D is the size-dependent atom size.…”

Plastic Deformation of Single Nanometer-Sized Crystals

“…This is a controversial issue: It has been previously suggested [20] that E f should decrease with system size, as cohesive energy and melting temperature of a small particle drop. However, recent simulations [21] and our estimates [18] indicate that E f can be larger for small particles than in the bulk systems.…”

Thermal Stability: Atomic Cohesive Energy

“…Figure 14.2 compares the predictions of the two models. At the lower end of the size limit (K = 1.5), the particle diameter contracts by 40 % associated with 12 % reduction in the E B according to Brook's convention [11]. In comparison, the BOLS correlation predicts a 25 % bond contraction and 70 % lower of the E B for the smallest size.…”

“…An extension of Brook's approach to nanostructures assumed that the G and the c 0 of a nanosolid remain the bulk values [11]. The key factor influencing the E p of a spherical dot of diameter D is the size-dependent atom size.…”