Materials Modelling Using Density Functional Theory

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  • Author : Feliciano Giustino
  • Publisher : Oxford University Press (UK)
  • Pages : 286 pages
  • ISBN : 0199662444
  • Rating : /5 from reviews
CLICK HERE TO GET THIS BOOK >>>Materials Modelling Using Density Functional Theory

Download or Read online Materials Modelling Using Density Functional Theory full in PDF, ePub and kindle. this book written by Feliciano Giustino and published by Oxford University Press (UK) which was released on 06 May 2021 with total page 286 pages. We cannot guarantee that Materials Modelling Using Density Functional Theory book is available in the library, click Get Book button and read full online book in your kindle, tablet, IPAD, PC or mobile whenever and wherever You Like. This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering. As advanced materials are becoming ubiquitous in every aspect of our life, the use of quantum mechanics to understand, predict, and design new materials is experiencing a fast-paced growth in academic and industrial research.Following this trend, atomistic materials modelling is becoming an important component of undergraduate science education, however there is still no book on this subject written primarily for anundergraduate readership. The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using quantum mechanics.

Materials Modelling Using Density Functional Theory

Materials Modelling Using Density Functional Theory
  • Author : Feliciano Giustino
  • Publisher : Oxford University Press (UK)
  • Release : 06 May 2021
GET THIS BOOK Materials Modelling Using Density Functional Theory

This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering. As advanced materials are becoming ubiquitous in every aspect of our life, the use of quantum mechanics to understand, predict, and design new materials is experiencing a fast-paced growth in academic and industrial research.Following this trend, atomistic materials modelling is becoming an important component of undergraduate science

Introduction to Materials Modelling

Introduction to Materials Modelling
  • Author : Zoe Barber
  • Publisher : Maney Pub
  • Release : 06 May 2021
GET THIS BOOK Introduction to Materials Modelling

Introduction to materials modelling describes the use of computer simulation for the prediction and understanding of the structure and properties of materials. It has been based upon the Materials Modelling Masters course given at the Department of Materials Science and Metallurgy, University of Cambridge, UK, which is aimed particularly at graduate students with a background in any of the physical sciences.

Materials Modelling

Materials Modelling
  • Author : English
  • Publisher : CRC Press
  • Release : 26 November 2020
GET THIS BOOK Materials Modelling

In Materials Modelling: From Theory to Technology, a distinguished collection of authors has been assembled to celebrate the 60th birthday of Dr. R. Bullough, FRS and honor his contribution to the subject over the past 40 years. The volume explores subjects that have implications in a wide range of technologies, focusing on how basic research can be applied to real problems in science and engineering. Linking theory and technology, the book progresses from the theoretical background to current and future practical

Fundamentals of Materials Modelling for Metals Processing Technologies

Fundamentals of Materials Modelling for Metals Processing Technologies
  • Author : Jianguo Lin
  • Publisher : World Scientific Publishing Company
  • Release : 24 March 2015
GET THIS BOOK Fundamentals of Materials Modelling for Metals Processing Technologies

This book provides a comprehensive introduction to the unique theory developed over years of research on materials and process modelling and its application in metal forming technologies. It starts with the introduction of fundamental theories on the mechanics of materials, computational mechanics and the formulation of unified constitutive equations. Particular attention is paid to elastic–plastic formulations for cold metal forming and unified elastic–viscoplastic constitutive equations for warm/hot metals processing. Damage in metal forming and numerical techniques to

Material Modelling

Material Modelling
  • Author : André Ferreira Costa Vieira
  • Publisher : Unknown
  • Release : 06 May 2021
GET THIS BOOK Material Modelling

This book endeavors to provide readers with the most up-to-date methodologies used to simulate and predict different features of material behaviors as well as their damage evolution and failure. Much of the information used in this book is from the authors' own research that has been conducted over the last years. This book contains a compilation of new developments in the creation and use of mathematical methodologies able to model material behaviors, including different materials and applications. Some of these

Advanced Materials Modelling for Structures

Advanced Materials Modelling for Structures
  • Author : Holm Altenbach,Serge Kruch
  • Publisher : Springer Science & Business Media
  • Release : 05 February 2013
GET THIS BOOK Advanced Materials Modelling for Structures

This volume presents the major outcome of the IUTAM symposium on “Advanced Materials Modeling for Structures”. It discusses advances in high temperature materials research, and also to provides a discussion the new horizon of this fundamental field of applied mechanics. The topics cover a large domain of research but place a particular emphasis on multiscale approaches at several length scales applied to non linear and heterogeneous materials. Discussions of new approaches are emphasised from various related disciplines, including metal physics,

Sport Materials Modelling and Simulation

Sport Materials  Modelling and Simulation
  • Author : Yan Wen Wu
  • Publisher : Trans Tech Publications Ltd
  • Release : 12 February 2011
GET THIS BOOK Sport Materials Modelling and Simulation

Volume is indexed by Thomson Reuters CPCI-S (WoS). The goal of this special collection, with its more than 153 peer-reviewed papers,.was to provide a forum within which researchers, educators, engineers, and government officials involved in the general areas of Sports Materials, Modeling and Simulation could disseminate their latest research results and exchange views on future research directions to be taken in these fields.

Drying of Polymeric and Solid Materials

Drying of Polymeric and Solid Materials
  • Author : Jean-Maurice Vergnaud
  • Publisher : Springer Science & Business Media
  • Release : 06 December 2012
GET THIS BOOK Drying of Polymeric and Solid Materials

Drying of Polymeric and Solid Materials shows for the first time how the process of drying can be enhanced by combining mathematical and numerical models with experiments. The main advantages of this method are a significant saving of time and money. Numerical modelling can predict the kinetics of drying and the profiles of liquid concentration through the solid. This helps in the selection of optimal operational conditions. The simulation of the process is also crucial in the assessment of diffusity

Data Technology in Materials Modelling

Data Technology in Materials Modelling
  • Author : Martin Thomas Horsch,Silvia Chiacchiera,Welchy Leite Cavalcanti,Björn Schembera
  • Publisher : Springer Nature
  • Release : 12 May 2021
GET THIS BOOK Data Technology in Materials Modelling

This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting

Multiscale Materials Modelling

Multiscale Materials Modelling
  • Author : Z. X. Guo
  • Publisher : Elsevier
  • Release : 31 May 2007
GET THIS BOOK Multiscale Materials Modelling

Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications. The various chapters cover the spectrum of scales in modelling methodologies, including

Multiscale Modeling and Analysis for Materials Simulation

Multiscale Modeling and Analysis for Materials Simulation
  • Author : Weizhu Bao,Qiang Du
  • Publisher : World Scientific
  • Release : 06 May 2021
GET THIS BOOK Multiscale Modeling and Analysis for Materials Simulation

The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and