Carbon Nanothreads Materials

This book describes carbon nanothreads with complete and comprehensive knowledge covering theories, numerical methods, and properties comparisons with other carbon—based nanomaterials. For one thing, the main theoretical aspects in this book include: First—Principle Calculation, Density Functional Theory, Classical Molecular Dynamics Simulation, Non—equilibrium Molecular Dynamics Simulation, and Coarse Grained Simulation. For another thing, the main research contents include: Fundamental Me...