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The fundamentals of astrochemistry in the gas phase are relatively well established, in contrast to the special relevance attributed to processes involving interstellar dust grains - the solid component of matter diffused among the stars. This book presents the state of the art in relation to the ways grains interact with gases, the catalytic role played by dust that allows key molecular species (H2 as well as many complex, possibly prebiotic species) to be formed on its surface - which cannot be obtained efficiently by any other mechanisms, and the interaction between solids (dust grains, icy mantles, cometary nuclei, satellites of the giant planets and minor bodies in the Solar system) in space and energetic agents such as UV photons and fast particles. The presence and importance of PAH, which may represent the smallest component of the grains, is considered in relation to possible astrobiological pathways and the ever-present mystery of the ubiquitous presence of Diffuse Interstellar Bands and their carriers.

Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. - Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation - Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems - Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. - Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs - Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites - Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems

Polymer and cell dynamics play an important role in processes like tumor growth, metastasis, embryogenesis, immune reactions and regeneration. Based on an international workshop on numerical simulations of polymer and cell dynamics in Bad Honnef (Germany) in 2000, this volume provides an overview of the relevant mathematical and numerical methods, their applications and limits. Polymer and Cell Dynamics will be of interest to scientists and advanced undergraduates.

Microfabrication and precision engineering is an increasingly important area relating to metallic, polymers, ceramics, composites, biomaterials and complex materials. Micro-electro-mechanical-systems (MEMS) emphasize miniaturization in both electronic and mechanical components. Microsystem products may be classified by application, and have been applied to a variety of fields, including medical, automotive, aerospace and alternative energy. Microsystems technology refers to the products as well as the fabrication technologies used in production. With detailed information on modelling of micro and nano-scale cutting, as well as innovative machining strategies involved in microelectrochemical applications, microchannel fabrication, as well as underwater pulsed Laser beam cutting, among other techniques, Microfabrication and Precision Engineering is a valuable reference for students, researchers and professionals in the microfabrication and precision engineering fields. - Contains contributions by top industry experts - Includes the latest techniques and strategies - Special emphasis given to state-of-the art research and development in microfabrication and precision engineering