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One common feature of new emerging technologies is the fusion of the very small (nano) scale and the large scale engineering. The classical environment provided by single scale theories, as for instance by the classical hydrodynamics, is not anymore satisfactory. The main challenge is to keep the important details while still be able to keep the overall picture and simplicity. It is the thermodynamics that addresses this challenge. Our main reason for writing this book is to explain such general viewpoint of thermodynamics and to illustrate it on a very wide range of examples. Contents Levels of description Hamiltonian mechanics Irreversible evolution Reversible and irreversible evolution Multicomponent systems Contact geometry Appendix: Mathematical aspects
This book collects the slides prepared for the course of Advanced Engineering Thermodynamics (Master of Science in Mechanical Engineering) and those for the course of Multiscale Modelling and Simulation of Molecular and Mesoscopic Dynamics (PhD Program in Energetics), taught in English at Turin Polytechnic. Here, we provide a broad overview on the different topics taught in our classes. Even though not all topics are presented in the same class, students should be able to more easily reconstruct the connections among different phenomena (and scales), build their own mind map and, eventually, find their own way of deepening the subjects they are more interested in. Several engineering applications have been included. This helps in stressing that very different phenomena are described by transport theory and obey the same underlying fundamental laws of engineering thermodynamics. Detailed tutorials are reported, based on open-source codes for the laboratories (Gromacs, Palabos, OpenFoam and Cantera).
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely geometric way by means of semidirect products. This leads to a complex Hamiltonian system with a new Poisson bracket, which can be used in principle with any energy functional. The thermodynamic (irreversible) part is added as gradient dynamics, generated by derivatives of a dissipation potential, which makes the theory part of the GENERIC framework. Subsequently, Dynamic MaxEnt reductions are carried out, which lead to reduced GENERIC models for smaller sets of state variables. Eventually, standard engineering models are recovered as the low-level limits of the detailed theory. The theory is then compared to recent literature.
Treats subjects directly related to nonlinear materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.
While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and atmosphere dynamics. Numerous applications in environmental physics and geophysics had been added.
The utilization of thermodynamic and mobility data plays a major role in phase-field modeling. This work discusses different formulations for the thermodynamic quantities of a grand potential model along with practices to determine parameters from datasets. The framework is used to study solidification of Al-Si-Mg for a variation of composition, diffusivities and surface energy anisotropies. To verify the simulations, they are compared with solidification theories.
This book deals with an important topic in rational continuum physics, thermodynamics.Although slim, it is fairly well self-contained; some basic notions in continuum mechanics, which a well-intentioned reader should but may not be familiar with, are collected in a final appendix. Modern continuum thermodynamics is a field theory devised to handle a large class of processes that typically are neither spatially homogeneous nor sequences of equilibrium states. The most basic chapter addresses the continuum theory of heat conduction, in which the constitutive laws furnish a mathematical characterization of the macroscopic manifestations of those fluctuations in position and velocity of the microscopic matter constituents that statistical thermodynamics considers collectively. In addition to a nonstandard exposition of the conceptual steps leading to the classical heat equation, the crucial assumption that energy and entropy inflows should be proportional is discussed and a hyperbolic version of that prototypical parabolic PDE is presented. Thermomechanics comes next, a slightly more complex paradigmatic example of a field theory where microscopic and macroscopic manifestations of motion become intertwined. Finally, a virtual power format for thermomechanics is proposed, whose formulation requires that temperature is regarded formally as the time derivative of thermal displacement. It is shown that this format permits an alternative formulation of the theory of heat conduction, and a physical interpretation of the notion of thermal displacement is given. It is addressed to mathematical modelers – or mathematical modelers to be – of continuous material bodies, be they mathematicians, physicists, or mathematically versed engineers.