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Virtual Materials Design
  • Language: en
  • Pages: 197

Virtual Materials Design

None

Cultures of Prediction
  • Language: en
  • Pages: 287

Cultures of Prediction

  • Type: Book
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  • Published: 2024-05-07
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  • Publisher: MIT Press

A probing examination of the dynamic history of predictive methods and values in science and engineering that helps us better understand today’s cultures of prediction. The ability to make reliable predictions based on robust and replicable methods is a defining feature of the scientific endeavor, allowing engineers to determine whether a building will stand up or where a cannonball will strike. Cultures of Prediction, which bridges history and philosophy, uncovers the dynamic history of prediction in science and engineering over four centuries. Ann Johnson and Johannes Lenhard identify four different cultures, or modes, of prediction in the history of science and engineering: rational, em...

Computational Science – ICCS 2008
  • Language: en
  • Pages: 771

Computational Science – ICCS 2008

The three-volume set LNCS 5101-5103 constitutes the refereed proceedings of the 8th International Conference on Computational Science, ICCS 2008, held in Krakow, Poland in June 2008. The 167 revised papers of the main conference track presented together with the abstracts of 7 keynote talks and the 100 revised papers from 14 workshops were carefully reviewed and selected for inclusion in the three volumes. The main conference track was divided into approximately 20 parallel sessions addressing topics such as e-science applications and systems, scheduling and load balancing, software services and tools, new hardware and its applications, computer networks, simulation of complex systems, image...

Interatomic Potential and Structural Stability
  • Language: en
  • Pages: 229

Interatomic Potential and Structural Stability

Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlomethod. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-ordermethod, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability atfinite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations.

Theoretical Surface Science
  • Language: en
  • Pages: 348

Theoretical Surface Science

Progress continues in the theoretical treatment of surfaces and processes on surfaces based on first-principles methods, i.e. without invoking any empirical parameters. In this book, the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented, together with a detailed discussion of surface phenomena. This makes the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science. This second enlarged edition has been carefully revised and updated, a new chapter on surface magnetism is included, and novel developments in theoretical surface science are addressed.

Solid Surfaces, Interfaces and Thin Films
  • Language: en
  • Pages: 586

Solid Surfaces, Interfaces and Thin Films

Solid Surfaces, Interfaces and Thin Films examines both experimental and theoretical aspects of surface, interface and thin film physics. Coverage of magnetic thin films has been expanded, and now includes giant magnetoresistance and the spin-transfer torque mechanism.

Computational Science – ICCS 2008
  • Language: en
  • Pages: 1070

Computational Science – ICCS 2008

None

High Performance Computing in Science and Engineering '19
  • Language: en
  • Pages: 583

High Performance Computing in Science and Engineering '19

This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2019. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.

Atomic Clusters
  • Language: en
  • Pages: 649

Atomic Clusters

  • Type: Book
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  • Published: 2007-05-24
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  • Publisher: Elsevier

Atomic Clusters: From Gas Phase to Deposited brings together a series of chapters, prepared by acknowledged experts in their fields. Both fundamental and practical aspects are addressed of the physics and chemistry of a novel state of matter, namely clusters of small numbers of atoms of nanometre dimensions. This is a field of nanoscience that existed before the word was invented, but has particularly achieved major advances in the recent years.* Contributions from leading experts in solid surfaces research* Cluster science is concerned with the properties of materials on the nano-metre scale* Brings together work on both free (gas-phase) clusters and those deposited on surfaces