Nanostructured materials with multiple components and complex structures are the current focus of research and are expected to develop further for material designs in many applications in electrochemical, colloidal, medical, pharmaceutical, and several other fields. This book discusses complex nanostructured systems exemplified by nanoporous silicates, spontaneously formed gels from silica-nanocolloidal solutions, and related systems and examines them using molecular dynamics simulations. Nanoporous materials, nanocolloidal systems, and gels are useful in many applications and can be used in electric devices and storage and for gas, ion, and drug delivery. The book gives an overview of the history, current status, and frontiers of the field. It also discusses the fundamental aspects related to the common behaviors of some of these systems and common analytical methods to treat them.
- Enriched with color figures that represent structures and related properties for an intuitive understanding of underlying physics, especially classifications of substructures of nanostructured materials and related concepts
- Uses the concepts of fractal and multifractal to clarify the existence of common behaviors of systems
- Explains the modeling and simulations of nanoporous systems and colloidal systems and preparations of initial structures
“This comprehensive and clearly written book on molecular dynamics simulations of nanostructured materials fills up the void between nanoionics and related fields, where theoretical arguments at a molecular or atomistic level have been still lacking. It gives a historical perspective of the field and covers fundamentals aspects as well as detailed explanations of analytical methods to treat nanoporous materials, nanocolloids, and gels, which makes it very useful for not only researchers but also graduate students.”~Prof. Carlos Leon Yebra, Universidad Complutense de Madrid, Spain
“Professor Junko Habasaki is one of the pioneers and innovators in molecular dynamics simulations of soft matter, ionic liquids, and glasses. In the past three decades, the results from her research have been highly relevant to experimental findings and have had an impact on theories and models. Many colleagues, including me, have benefitted from collaboration with her in research on the dynamics of structures and ions in various materials. The book that she published together with Prof. Carlos León and me in 2017, entitled Dynamics of Glassy, Crystalline and Liquid Ionic Conductors, Experiments, Theories, Simulations, bears witness to her valuable contribution to the field. In recent years, her research interest has turned to the molecular dynamics of structures and ions in nanomaterials. She recognizes this emerging research area is fertile to explore new physics, and the results have important applications in many disciplines and technologies. Her research efforts have been fruitful and the extensive accomplishments gained over the past years motivated her to collect the results and write this monograph. This unique book has been written for both researchers and newcomers in the field of nanostructured materials and nanoionics. Enriched with Prof. Habasaki’s guidance on applying molecular dynamics simulations to nanostructured systems, the monograph can be used for teaching a graduate course at universities. The contents are of great interest to condensed matter physicists, chemists, materials scientists, and engineers. I congratulate Prof. Habasaki for her contribution to science and a job well done.”~Prof. K. L. Ngai, CNR Istituto Processi Chimico-Fisici, Italy