Rieth M. Nano-Engineering in Science and Technology: An Introduction to the World of Nano-Design

World Scientific Publishing Co. Pte. Ltd., 2003. 163 p. — ISBN10: 9812380744.This important book provides a vivid introduction to the procedures, techniques, problems and difficulties of computational nano-engineering and design. The reader is given step by step the scientific background information, for an easy reconstruction of the explanations.The focus is laid on the molecular dynamics method, which is well suited for explaining the topic to the reader with just a basic knowledge of physics. Results and conclusions of detailed nano-engineering studies are presented in an instructive style. In summary, the book puts readers immediately in a position to take their first steps in the field of computational nano-engineering and design.Interatomic Potentials
Quantum Mechanical Treatment of the Many-Particle Problem
PotentialEnergySurface
PairPotentialApproximation
Advantages and Limitations of the Pair Potential Approximation
PhenomenologicalPotentials
BuckinghamPotentials
MorsePotentials
Lennard{JonesPotentials
Barker Potentials for Krypton and Xenon
PseudoPotentials
Schommers Potential for Aluminium
Many-BodyPotentials
Molecular Dynamics
Models for Molecular Dynamics Calculations
InitialValues
Isothermal Equilibration
Boundaries
Nano-Design and Nano-Construction
Visualization Techniques
SolutionoftheEquationsofMotion
Verlet Algorithms
Nordsieck/Gear Predictor-Corrector
Assessment of the Integration Algorithms
OtherMethods
NormalizedQuantities
E cientForceFieldComputation
ForceDerivation
ListMethod
Cell Algorithms
SPSMProcedure
Discussion
Implementation
Characterization of Nano-Systems
Thermal Stability
Basic Material Properties
WearattheNanometerLevel
Mean Values and Correlation Functions
EnsembleTheory
Pair Correlation Function
Mean-SquareDisplacement
Velocity Auto-Correlation Function
Generalized Phonon Density of States
StructureFactor
Additional Remarks
Nano-Engineering | Studies and Conclusions
FunctionalNanostructures
Nano-Machines
Nano-Clusters
StructuralExaminations
Dynamics of the Al500 States
Influence of the Initial Conditions
Influence of the Initial Temperature
Influence of the Crystalline Structure
Influence of the Outer Shape and Cluster Size
Influence of the Interaction Potential (Material)
Conclusions
Stimulated Nano-Cluster Transformations
AnalogyConsiderations
The Bifurcation Phenomenon at the Nanometer Scale
AnalogiestoBiology
FinalConsiderations