Theoretical Study of Lattice Constant Dependence on the Grain Size in Some Nanocrystallites
The influence of grain size on the lattice constant in some nanocrystallites was studied by computing the interactive cohesive energy of the nanocrystallites. The relationships of the lattice constant with the grain size in NaCl, CsCl structure ionic crystallites, FCC, BCC structure metal crystallites and FCC, BCC, SCC structure molecular crystallites was studied respectively. The results are in good agreement with the above experimental ones qualitatively.
Sihai Jiao, Zhengyi Jiang and Jinglong Bu
Y. H. Zhu "Theoretical Study of Lattice Constant Dependence on the Grain Size in Some Nanocrystallites", Advanced Materials Research, Vols. 146-147, pp. 631-634, 2011