Handbook of Materials Modeling

Handbook of Materials Modeling
Author: Sidney Yip
Publisher: Springer Science & Business Media
Total Pages: 2903
Release: 2007-11-17
Genre: Science
ISBN: 1402032862

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

IBM Systems Journal

IBM Systems Journal
Author: International Business Machines Corporation
Publisher:
Total Pages: 1044
Release: 2001
Genre: Computers
ISBN:

The Structure and Properties of Water

The Structure and Properties of Water
Author: D Eisenberg
Publisher: Oxford University Press, USA
Total Pages: 315
Release: 2005-10-20
Genre: Science
ISBN: 0198570260

The authors have correlated many experimental observations and theoretical discussions from the scientific literature on water. Topics covered include the water molecule and forces between water molecules; the thermodynamic properties of steam; the structures of the ices; the thermodynamic, electrical, spectroscopic, and transport properties of the ices and of liquid water; hydrogen bonding in ice and water; and models for liquid water. The main emphasis of the book is on relatingthe properties of ice and water to their structures. Some background material in physical chemistry has been included in order to ensure that the material is accessible to readers in fields such as biology, biochemistry, and geology, as well as to chemists and physicists.

Nanoscale Energy Transport and Conversion

Nanoscale Energy Transport and Conversion
Author: Gang Chen
Publisher: Oxford University Press
Total Pages: 570
Release: 2005-03-03
Genre: Science
ISBN: 9780199774685

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.

Fundamentals of Inhomogeneous Fluids

Fundamentals of Inhomogeneous Fluids
Author: Douglas Henderson
Publisher: CRC Press
Total Pages: 624
Release: 2021-12-17
Genre: Science
ISBN: 1000148041

A monograph examining recent progress in the field of inhomogeneous fluids, focusing on the theoretical - as well as experimental - techniques used. It presents the comprehensive theory of first-order phase transitions, including melting, and contains numerous figures, tables and display equations.;The contributors treat such subjects as: exact sum rules for inhomogenous fluids, explaining density functional and integral equation methods; exact solutions for two-dimensional homogeneous and inhomogeneous plasmas; current advances in the theory of interfacial electrochemistry; wetting experiments and the theory of wetting; freezing, with an emphasis on quantum systems and homogeneous nucleation in liquid-vapour and solid-liquid transitions; self-organizing liquids as well as kinetic phenomena in inhomogeneous fluids, using a modified Enskog theory.;Featuring over 1000 bibliographic citations, this volume is aimed at physical, surface, colloid and surfactant chemists; also physicists, electrochemists and graduate-level students in these disciplines.

Atmospheric Multiphase Chemistry

Atmospheric Multiphase Chemistry
Author: Hajime Akimoto
Publisher: John Wiley & Sons
Total Pages: 539
Release: 2020-06-02
Genre: Science
ISBN: 1119422426

An important guide that highlights the multiphase chemical processes for students and professionals who want to learn more about aerosol chemistry Atmospheric Multiphase Reaction Chemistry provides the information and knowledge of multiphase chemical processes and offers a review of the fundamentals on gas-liquid equilibrium, gas phase reactions, bulk aqueous phase reactions, and gas-particle interface reactions related to formation of secondary aerosols. The authors—noted experts on the topic—also describe new particle formation, and cloud condensation nuclei activity. In addition, the text includes descriptions of field observations on secondary aerosols and PM2.5. Atmospheric aerosols play a critical role in air quality and climate change. There is growing evidence that the multiphase reactions involving heterogeneous reactions on the air-particle interface and the reactions in the bulk liquid phase of wet aerosol and cloud/fog droplets are important processes forming secondary aerosols in addition to gas-phase oxidation reactions to form low-volatile compounds. Comprehensive in scope, the book offers an understanding of the topic by providing a historical overview of secondary aerosols, the fundamentals of multiphase reactions, gas-phase reactions of volatile organic compounds, aqueous phase and air-particle interface reactions of organic compound. This important text: Provides knowledge on multiphase chemical processes for graduate students and research scientists Includes fundamentals on gas-liquid equilibrium, gas phase reactions, bulk aqueous phase reactions, and gas-particle interface reactions related to formation of secondary aerosols Covers in detail reaction chemistry of secondary organic aerosols Written for students and research scientists in atmospheric chemistry and aerosol science of environmental engineering, Atmospheric Multiphase Reaction Chemistry offers an essential guide to the fundamentals of multiphase chemical processes.