Mechanics is defined as a branch of physics that focuses on motion and the reaction of physical systems to internal and external forces. This highly acclaimed series provides survey articles on the present state and future direction of research in important branches of applied solid and fluid mechanics.

Advances in Heat Transfer fills the information gap between regularly scheduled journals and university level textbooks by providing in-depth review articles over a broader scope than in journals or texts. The articles, which serve as a broad review for experts in the field, will also be of great interest to non-specialists who need to keep up-to- date with the results of the latest research. It is essential reading for all mechanical, chemical and industrial engineers working in the field of heat transfer, graduate schools or industry. - Provides an overview of review articles on topics of current interest - Bridges the gap between academic researchers and practitioners in industry - A long-running and prestigious series

This is a graduate level textbook in nanoscale heat transfer and energy conversion that can also be used as a reference for researchers in the developing field of nanoengineering. It provides a comprehensive overview of microscale heat transfer, focusing on thermal energy storage and transport. Chen broadens the readership by incorporating results from related disciplines, from the point of view of thermal energy storage and transport, and presents related topics on the transport of electrons, phonons, photons, and molecules. This book is part of the MIT-Pappalardo Series in Mechanical Engineering.

Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures

Both ab-initio and classical molecular dynamics (MD) were used to study the thermal energy transport phenomena across nano-scale material interfaces. Thermal equilibration in semiconductor ultra-thin layered superlattices was simulated by ab-initio MD with density functional theory (OFT). Equilibrium MD (EMD) and Non-equilibrium MD (NEMD) simulations were performed on Au-SAM (self-assembly monolayer)-Au junctions with alkanedithiols being the SAM molecules. The in-plane thermal conductivities were calculated using EMD with Green-Kubo method. The out-of-plane thermal conductances were calculated in both EMD and NEMD simulations. Au substrate thickness effect, temperature effect, simulated normal pressure effect, molecular chain length effect, molecule coverage effect and molecule-substrate bonding strength effect on thermal conductivity/conductance were studied. Vibration density of states (VDOS) was calculated, and the mechanism of thermal energy transport across the material junctions was analyzed. The calculated thermal conductance at high temperatures agrees well with available experimental data. The temperature dependence of thermal conductance has a similar trend to experimental observations. SAM molecular coverage was found to be important on the interfacial thermal conductance. Analysis of the junction response to a heat pulse showed that the Au-SAM interface resistance was much larger than the substrate and SAM resistances. The results showed that the Au-SAM interface resistance dominated thermal energy transport across the junction The DFT ab-initio method was used to study the bondings of thiols on As-terminated GaAs (001) surfaces. As-S interactions were simulated by the Morse potential, and the parameters were fitted to an energy hypersurface obtained from DFT calculations. NEMD simulations were then performed on GaAs-SAM-GaAs junctions to study thermal energy transport across thiol-GaAs interfaces. NEMD simulations were also carried out to study thermal energy transport across different graphene-polymer interfaces. The results of this study will be useful for the current molecular electronics industry in which thermal dissipation is a critical problem to be resolved. It is concluded that the interfacial resistance is the barrier for thermal transport across molecule-solid junctions. As a result, methods to facilitate thermal transport across the interfaces, such as depositing denser SAM, forming stronger molecule-solid bonds, choosing materials with better vibration coupling, are to be considered in the emerging technology of the manufacturing of molecular electronics.

Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.