Author: Publisher:
ISBN: 9789174150254
Category :
Languages : en
Pages : 40
Book Description
Atomistic Computer Simulations of the Melting Process and High Pressure Conditions
Author: Atomistic Computer Simulations
Author: Veronika BrázdováPublisher: John Wiley & Sons
ISBN: 3527671838
Category : Science
Languages : en
Pages : 291
Book Description
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Atomistic Simulation of Materials
Author: David J. SrolovitzPublisher: Springer Science & Business Media
ISBN: 1468457039
Category : Technology & Engineering
Languages : en
Pages : 454
Book Description
This book contains proceedings of an international symposium on Atomistic th Simulation of Materials: Beyond Pair Potentials which was held in Chicago from the 25 th to 30 of September 1988, in conjunction with the ASM World Materials Congress. This symposium was financially supported by the Energy Conversion and Utilization Technology Program of the U. S Department of Energy and by the Air Force Office of Scientific Research. A total of fifty four talks were presented of which twenty one were invited. Atomistic simulations are now common in materials research. Such simulations are currently used to determine the structural and thermodynamic properties of crystalline solids, glasses and liquids. They are of particular importance in studies of crystal defects, interfaces and surfaces since their structures and behavior playa dominant role in most materials properties. The utility of atomistic simulations lies in their ability to provide information on those length scales where continuum theory breaks down and instead complex many body problems have to be solved to understand atomic level structures and processes.
JJAP Letters
Author: Handbook of the Physicochemical Properties of the Elements
Author: Gregory V. SamsonovPublisher: Springer Science & Business Media
ISBN: 1468460668
Category : Science
Languages : en
Pages : 953
Book Description
The American edition of this handbook contains concise informa tion on the basic physical properties of the elements and on their chem ical characteristics. In general, the data selected for inclusion in the handbook are those which either agree well with calculated data (in those cases where calculations could be carried out) or satisfy various correlations, particularly those based on concepts of the distribution of valence electrons of isolated atoms in the formation of a condensed state, as electrons localized at atomic ions in the form of energetically stable configurations, and as nonlocalized electrons. The Russian edition was published in the USSR in 1965, and new or previously omitted data have been added to all the sections of the present edition. In addition, the authors have considered it necessary to include a series of new sections. Thus, a new table has been included, "Electronic Configurations and Ground States of Free Atoms and Their Ions," since, in the ionization of some atoms (particularly for transition metals), the electrons are not always abstracted from the outer shell, and, consequently, calculation of the ground state (electron energy level) using the usual vector model does not give a direct result. The ground states are obtained experimentally and the table contains the corresponding data on the configurations and states of triply-ionized atoms (which is usually sufficient).
Energy Research Abstracts
Author: Introduction to Lattice Dynamics
Author: Martin T. DovePublisher: Cambridge University Press
ISBN: 0521392934
Category : Science
Languages : en
Pages : 288
Book Description
The vibrations of atoms inside crystals - lattice dynamics - is basic to many fields of study in the solid-state and mineral sciences. This book provides a self-contained text that introduces the subject from a basic level and then takes the reader through applications of the theory.
Water in Biological and Chemical Processes
Author: Biman BagchiPublisher: Cambridge University Press
ISBN: 1107037298
Category : Medical
Languages : en
Pages : 383
Book Description
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Nonequilibrium Molecular Dynamics
Author: Billy D. ToddPublisher: Cambridge University Press
ISBN: 0521190096
Category : Science
Languages : en
Pages : 371
Book Description
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Springer Handbook of Nanotechnology
Author: Bharat BhushanPublisher: Springer Science & Business Media
ISBN: 3642025250
Category : Technology & Engineering
Languages : en
Pages : 1968
Book Description
Since 2004 and with the 2nd edition in 2006, the Springer Handbook of Nanotechnology has established itself as the definitive reference in the nanoscience and nanotechnology area. It integrates the knowledge from nanofabrication, nanodevices, nanomechanics, Nanotribology, materials science, and reliability engineering in just one volume. Beside the presentation of nanostructures, micro/nanofabrication, and micro/nanodevices, special emphasis is on scanning probe microscopy, nanotribology and nanomechanics, molecularly thick films, industrial applications and microdevice reliability, and on social aspects. In its 3rd edition, the book grew from 8 to 9 parts now including a part with chapters on biomimetics. More information is added to such fields as bionanotechnology, nanorobotics, and (bio)MEMS/NEMS, bio/nanotribology and bio/nanomechanics. The book is organized by an experienced editor with a universal knowledge and written by an international team of over 150 distinguished experts. It addresses mechanical and electrical engineers, materials scientists, physicists and chemists who work either in the nano area or in a field that is or will be influenced by this new key technology.