Computational Approaches to Energy Materials PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Computational Approaches to Energy Materials PDF full book. Access full book title Computational Approaches to Energy Materials by Richard Catlow. Download full books in PDF and EPUB format.
Author: Richard Catlow
Publisher: John Wiley & Sons
ISBN: 1118551443
Category : Science
Languages : en
Pages : 423
Get Book
Book Description
The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.
Author: Richard Catlow
Publisher: John Wiley & Sons
ISBN: 1118551443
Category : Science
Languages : en
Pages : 423
Get Book
Book Description
The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.
Author:
Publisher:
ISBN: 9781605112404
Category :
Languages : en
Pages :
Get Book
Book Description
Author: Datta, Shubhabrata
Publisher: IGI Global
ISBN: 1522502912
Category : Technology & Engineering
Languages : en
Pages : 492
Get Book
Book Description
The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling techniques, the probable application and performance of these materials can be easily evaluated. Computational Approaches to Materials Design: Theoretical and Practical Aspects brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Highlighting optimization tools and soft computing methods, this publication is a comprehensive collection for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in the field of materials engineering.
Author: Shubhabrata Datta
Publisher: Engineering Science Reference
ISBN: 9781522502906
Category : Materials
Languages : en
Pages : 0
Get Book
Book Description
Brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Thois volume highlights optimization tools and soft computing methods, and is ideal for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in materials engineering.
Author: Nir Goldman
Publisher: Springer
ISBN: 3030056007
Category : Science
Languages : en
Pages : 293
Get Book
Book Description
This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Author: C. A. Brebbia
Publisher: WIT Press
ISBN: 1845640802
Category : Technology & Engineering
Languages : en
Pages : 465
Get Book
Book Description
Until recently, engineering materials could be characterized successfully using relatively simple testing procedures. As materials technology advances, interest is growing in materials possessing complex meso-, micro- and nano-structures, which to a large extent determine their physical properties and behaviour. The purposes of materials modelling are many: optimization, investigation of failure, simulation of production processes, to name but a few. Modelling and characterisation are closely intertwined, increasingly so as the complexity of the material increases. Characterisation, in essence, is the connection between the abstract material model and the real-world behaviour of the material in question. Characterisation of complex materials therefore may require a combination of experimental techniques and computation. This book publishes papers presented at the Third International Conference on Computational Methods and Experiments in Material Characterisation.Topics covered include: Composites; Ceramics; Alloys; Cements and Cement Based Materials; Biomaterials; Thin Films and Coatings; Advanced Materials; Imaging Analysis; Thermal Analysis; New Methods; Surface Chemistry, Nano Indentation; Continuum Methods; Particle Models; Damage Mechanics; Innovative Techniques; Stochastic Methods.
Author: C. A. Brebbia
Publisher: WIT Press
ISBN: 1845640314
Category : Technology & Engineering
Languages : en
Pages : 369
Get Book
Book Description
Bringing together the work of practitioners in many fields of engineering, materials and computational science, this book includes most of the papers presented at the Second International Conference on Material Characterisation. Compiled with the central aim of encouraging interaction between experimentalists and modelers, the contributions featured are divided under the following sections: MICROSTRUCTURES ? Composites; Alloys; Ceramics; Cements; Foams; Suspensions; Biomaterials; Thin Films; Coatings. EXPERIMENTAL METHODS - Optical Imaging; SEM, TEM; X-Ray Microtomography; Ultrasonic Techniques; NMR/MRI; Micro/Nano Indentation; Thermal Analysis; Surface Chemistry. COMPUTATIONAL METHODS - Continuum Methods (FEM, FV, BEM); Particle Models (MD, DPD, Lattice-Boltzmann); Montecarlo Methods; Cellular Automata; Hybrid Multiscale Methods; and Damage Mechanics.
Author: Wolfhard Janke
Publisher: Springer Science & Business Media
ISBN: 3540740252
Category : Science
Languages : en
Pages : 411
Get Book
Book Description
This collection of lectures and tutorial reviews focuses on the common computational approaches in use to unravel the static and dynamical behaviour of complex physical systems at the interface of physics, chemistry and biology. Prominent consideration is given to rugged free-energy landscapes. The authors aim to provide a common basis and technical language for the (computational) technology transfer between the fields and systems considered.
Author: Maria Fyta
Publisher: Morgan & Claypool Publishers
ISBN: 168174418X
Category : Computers
Languages : en
Pages : 130
Get Book
Book Description
Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.
Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
ISBN: 0309449758
Category : Technology & Engineering
Languages : en
Pages : 149
Get Book
Book Description
Additive manufacturing (AM) methods have great potential for promoting transformative research in many fields across the vast spectrum of engineering and materials science. AM is one of the leading forms of advanced manufacturing which enables direct computer-aided design (CAD) to part production without part-specific tooling. In October 2015 the National Academies of Sciences, Engineering, and Medicine convened a workshop of experts from diverse communities to examine predictive theoretical and computational approaches for various AM technologies. While experimental workshops in AM have been held in the past, this workshop uniquely focused on theoretical and computational approaches and involved areas such as simulation-based engineering and science, integrated computational materials engineering, mechanics, materials science, manufacturing processes, and other specialized areas. This publication summarizes the presentations and discussions from the workshop.
