Mechanical Properties Derived From Nanostructuring Materials

Mechanical Properties Derived from Nanostructuring Materials

Nanostructure Control of Materials

Annotation Nanotechnology is an area of science and technology where dimensions and tolerances in the range of 0.1 nm to 100nm play a critical role. Nanotechnology has opened up new worlds of opportunity. It encompasses precision engineering as well as electronics, electromechanical systems and mainstream biomedical applications in areas as diverse as gene therapy, drug delivery and novel drug discovery techniques. Nanostructured materials present exciting opportunities for manipulating structure and properties on the nanometer scale. The ability to engineer novel structures at the molecular level has led to unprecedented opportunities for materials design. This new book provides detailed insights into the synthesis/structure and property relationships of nanostructured materials. A valuable book for materials scientists, mechanical and electronic engineers and medical researchers. CONTENTS Special properties resulting from nanodimensionality; Nanoparticle technologies; Control of molecular assemblies; Functional organic inorganic nanocomposites; Molecular modelling of nanomorphology in polymers; Nanodimensionality and ionic transport; Multi scale simulation of nanionic polymer systems; Nanoengineering in metallic systems; Characterisation of nanometallic systems with NMR; Mechanical behaviour of metallic nanolaminates; Mechanics of nanocomposite structures; Preparation, properties and performance of Nanocrystalline ceramics; Novel properties from nanoceramics; Hydrogen storage in nanostructured materials; Nanofabrication.

Mechanical Properties of Nanostructured Materials

Nowadays, with the improved abilities of computers, molecular modeling has become a powerful technique in computational chemistry with ever-increasing practical interests. At the moment, using effective algorithms along with powerful processors enables us to simulate systems, including thousands of atoms up to several microseconds. However, finding a balance between the computational costs and reliable results still remains a challenge. Two general approaches help us to reveal the behavior of these systems: quantum chemical calculations and molecular mechanics calculations. Quantum mechanics deals with physical phenomena as well as atoms behavior during chemical bonding and falls in the category of modern physics. In this book, two of the most practical quantum mechanics approaches are investigated: density functional theory (DFT) and density-functional tight-binding (DFTB).