'Materials modelling' describes the use of computer simulation for the prediction and understanding of the structure and properties of materials. The book covers a wide range of techniques, from the atomistic and quantum scale up to the continuum level, and introduces their applications in metals, ceramics, polymers and alloys. It has been based upon the Masters course in 'Materials Modelling' 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.
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Computational Materials Science has grown rapidly over the last decade and the subject has been embraced by industry with remarkable enthusiasm, resulting in close collaborations and long term partnerships between industry and academic research laboratories. There are now numerous examples of profitable commercial products resulting from the application of this type of research.
However, this success hides a difficulty: the output of skilled staff from Universities consists of PhD students and post-doctoral research workers who are often of outstanding quality, but are specialists in particular areas of the subject of modelling. In contrast, most technological problems have enormous complexity, covering many fields of expertise.
This book is based on a course at Cambridge University, with the purpose of providing a broad training within the field of materials and process modelling. A knowledge of the variety of techniques covered in this book should equip the reader to begin applying the methods and communicate confidently with those in industry and academia alike.
The book describes techniques which deal with atomic length scales as well as those of interest to engineers, and in a manner which is independent of material type. It should be readable by anyone in the sciences or related subjects, and is suitable for undergraduates as well as research students.
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