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Computer Investigation of the Stability & Structure of Si & SiO2 Nanoparticles

Editat de A. Y. Galashev, V. A. Polukhin
en Limba Engleză Paperback – 20 feb 2012
Fast development of nanotechnologies requires a search of new methods of studying the structure and stability of nanomaterials with detailed investigation of their structural units. Computer simulations predict that silicon clusters differ significantly from the bulk crystal lattice and surface. The subject of this book is molecular dynamics simulation of noncrystalline silicon and silicon dioxide clusters with the size of 60 up to 975 atoms. It is carried out to understand features of their structure which define their physicochemical properties. Special attention is given to the examination of stability of continuous and hollow medium-sized silicon clusters.
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Specificații

ISBN-13: 9781613243183
ISBN-10: 1613243189
Pagini: 142
Ilustrații: Illustrations
Dimensiuni: 227 x 150 x 9 mm
Greutate: 0.23 kg
Editura: Nova Science Publishers Inc

Cuprins

Preface; Introduction; Molecular Dynamics Calculations; Physicochemical Properties of Silicon Nanoparticles Containing Atoms; Molecular Dynamics Study of Hydrogenated Silicon Clusters at High Temperatures; Simulation of Noncrystalline Silicon Nanoparticles; Computer Simulation of Tension of Silicon Noncrystalline Nanoparticles; Temperature Dependence of Physical Properties of Silicon Noncrystalline Nanoparticles; Nucleation of Silicon Dioxide Nanoparticle in Closed Domain structure; Computer Investigation of Structure of Porous Nanoparticle Under Uniform Uniform tension; Concluding Remarks; Index.