Model of nanostructure

Jokanovic, V. Janackovic, D. J. Spasic, R Uskokovic, D. 1999. Modeling of nanostructural design of ultrafine mullite powder particles obtained by ultrasonic spray pyrolysis. Nanostruct. Mater. 12 349-352. 

In a given work computer simulations devoted to study of nanostructure of abovementioned cryogenic amorphous phases of ice, mechanisms of their transformations, and properties to accumulate methane and hydrogen was realized within the theoretical concepts thermo field dynamics [5] and quantum-field chemistry [6-9]. We developed two models of nanostructures corresponding to HDA-ice and LDA-ice, respectively. Some computations of energetic barriers locking molecules CH4 and H2 inside of amorphous ice were fulfilled. 

Jokanovic, V., Jokanovic, B., Nedeljkovic, J., and Milosevic, O., Modeling of nanostructured hollow Ti02 spheres obtained by ultrasonic spray pyrolysis. Surface Colloid A, 249, Hill 3, 2004. 

Since the materials properties are directly related with the dimensionality of materials, particularly at the nanoscale, it would be better to classify the methods of modeling of nanostructures with respect to the dimensionality, such as zero-dimensional (OD), one-dimensional (ID), two-dimensional (2D), and three-dimensional (3D) materials. At the nanoscale the first three dimensionalities (OD, ID, 2D) are commonly used, but the 3D materials are usually considered as macroscopic systems therefore those materials are not the subject of this chapter. 

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