Computational Materials Science

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. Valuable reference book, but also helpful as a supplement to courses Computer programs available to supplement examples Presents several new methods of computational materials science and clearly summarizes previous methods and results

Produk Detail:

  • Author : A.M. Ovrutsky
  • Publisher : Elsevier
  • Pages : 388 pages
  • ISBN : 0124202071
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKComputational Materials Science

Computational Materials Science

Computational Materials Science
  • Author : A.M. Ovrutsky,A. S Prokhoda,M.S. Rasshchupkyna
  • Publisher : Elsevier
  • Release : 19 November 2013
GET THIS BOOKComputational Materials Science

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes,

Computational Materials Science

Computational Materials Science
  • Author : June Gunn Lee
  • Publisher : CRC Press
  • Release : 25 November 2016
GET THIS BOOKComputational Materials Science

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2

Introduction to Computational Materials Science

Introduction to Computational Materials Science
  • Author : Richard LeSar
  • Publisher : Cambridge University Press
  • Release : 28 March 2013
GET THIS BOOKIntroduction to Computational Materials Science

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible

Computational Materials Science

Computational Materials Science
  • Author : Dierk Raabe
  • Publisher : Wiley-VCH
  • Release : 27 October 1998
GET THIS BOOKComputational Materials Science

Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.

Computational Materials Engineering

Computational Materials Engineering
  • Author : Koenraad George Frans Janssens,Dierk Raabe,Ernest Kozeschnik,Mark A Miodownik,Britta Nestler
  • Publisher : Academic Press
  • Release : 26 July 2010
GET THIS BOOKComputational Materials Engineering

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to

Computational Materials Science

Computational Materials Science
  • Author : Kaoru Ohno,Keivan Esfarjani,Yoshiyuki Kawazoe
  • Publisher : Springer
  • Release : 14 April 2018
GET THIS BOOKComputational Materials Science

This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half

Topics in Computational Materials Science

Topics in Computational Materials Science
  • Author : Ching-yao Fong
  • Publisher : World Scientific
  • Release : 24 May 1998
GET THIS BOOKTopics in Computational Materials Science

This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.

Computational Materials Science

Computational Materials Science
  • Author : Wofram Hergert,Arthur Ernst,Markus Däne
  • Publisher : Springer Science & Business Media
  • Release : 29 April 2004
GET THIS BOOKComputational Materials Science

Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in

Computational Technologies in Materials Science

Computational Technologies in Materials Science
  • Author : Shubham Tayal,Parveen Singla,Ashutosh Nandi,J. Paulo Davim
  • Publisher : CRC Press
  • Release : 06 October 2021
GET THIS BOOKComputational Technologies in Materials Science

Advanced materials are essential for economic security and human well-being, with applications in industries aimed at addressing challenges in clean energy, national security, and human welfare. Yet, it can take years to move a material to the market after its initial discovery. Computational techniques have accelerated the exploration and development of materials, offering the chance to move new materials to the market quickly. Computational Technologies in Materials Science addresses topics related to AI, machine learning, deep learning, and cloud computing

Computational Materials Discovery

Computational Materials Discovery
  • Author : Artem Oganov,Gabriele Saleh,Alexander Kvashnin
  • Publisher : Royal Society of Chemistry
  • Release : 30 October 2018
GET THIS BOOKComputational Materials Discovery

New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Materials Discovery provides a comprehensive review of this field covering different computational methodologies as well as specific applications of materials design. The book starts by illustrating how and why first-principle calculations have gained importance in the process of materials discovery. The

Computational Materials Engineering

Computational Materials Engineering
  • Author : Maciej Pietrzyk,Lukasz Madej,Lukasz Rauch,Danuta Szeliga
  • Publisher : Butterworth-Heinemann
  • Release : 14 July 2015
GET THIS BOOKComputational Materials Engineering

Computational Materials Engineering: Achieving High Accuracy and Efficiency in Metals Processing Simulations describes the most common computer modeling and simulation techniques used in metals processing, from so-called "fast" models to more advanced multiscale models, also evaluating possible methods for improving computational accuracy and efficiency. Beginning with a discussion of conventional fast models like internal variable models for flow stress and microstructure evolution, the book moves on to advanced multiscale models, such as the CAFÉ method, which give insights into the

Integrated Computational Materials Engineering

Integrated Computational Materials Engineering
  • Author : National Research Council,Division on Engineering and Physical Sciences,National Materials Advisory Board,Committee on Integrated Computational Materials Engineering
  • Publisher : National Academies Press
  • Release : 24 October 2008
GET THIS BOOKIntegrated Computational Materials Engineering

Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. Developing ICME is a grand challenge that could provide significant economic benefit. To help develop a strategy for development of this new technology area, DOE and DoD asked the NRC to explore its benefits and promises, including the benefits of a comprehensive ICME capability; to establish a strategy for development and maintenance of an ICME infrastructure, and to make recommendations about

Integrated Computational Materials Engineering (ICME) for Metals

Integrated Computational Materials Engineering (ICME) for Metals
  • Author : Mark F. Horstemeyer
  • Publisher : John Wiley & Sons
  • Release : 07 June 2012
GET THIS BOOKIntegrated Computational Materials Engineering (ICME) for Metals

State-of-the-technology tools for designing, optimizing, and manufacturing new materials Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products. Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with

Parallel Algorithms in Computational Science and Engineering

Parallel Algorithms in Computational Science and Engineering
  • Author : Ananth Grama,Ahmed H. Sameh
  • Publisher : Springer Nature
  • Release : 06 July 2020
GET THIS BOOKParallel Algorithms in Computational Science and Engineering

This contributed volume highlights two areas of fundamental interest in high-performance computing: core algorithms for important kernels and computationally demanding applications. The first few chapters explore algorithms, numerical techniques, and their parallel formulations for a variety of kernels that arise in applications. The rest of the volume focuses on state-of-the-art applications from diverse domains. By structuring the volume around these two areas, it presents a comprehensive view of the application landscape for high-performance computing, while also enabling readers to develop