Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys

Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys

Author: John A. Moriarty

Publisher: Oxford University Press

Published: 2023-08-15

Total Pages: 593

ISBN-13: 0192555359

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Atomistic computer simulations are often at the heart of modern attempts to predict and understand the physical properties of real materials, including the vast domain of metals and alloys. Historically, highly simplified empirical potentials have been used to provide the interatomic forces needed to perform such simulations, but true predictive power in these materials emanates from fundamental quantum mechanics. In metals and alloys especially, a viable path forward to the vastly larger length and time scales offered by empirical potentials, while retaining the predictive power of quantum mechanics, is to course-grain the underlying electronic structure of the material and systematically derive quantum-based interatomic potentials from first-principles. This book spans the entire process from foundation in fundamental theory, to the development of accurate quantum-based potentials for real materials, to the wide-spread application of the potentials to the atomistic simulation of structural, thermodynamic, defect and mechanical properties of metals and alloys.


Digital Control Systems Implementation Techniques

Digital Control Systems Implementation Techniques

Author:

Publisher: Academic Press

Published: 1995-10-10

Total Pages: 397

ISBN-13: 0080529860

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Praise for Previous Volumes"This book will be a useful reference to control engineers and researchers. The papers contained cover well the recent advances in the field of modern control theory."-IEEE GROUP CORRESPONDANCE"This book will help all those researchers who valiantly try to keep abreast of what is new in the theory and practice of optimal control."-CONTROL


Handbook of Multivariate Experimental Psychology

Handbook of Multivariate Experimental Psychology

Author: John R. Nesselroade

Publisher: Springer Science & Business Media

Published: 2013-11-11

Total Pages: 977

ISBN-13: 1461308933

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When the first edition of this Handbook was fields are likely to be hard reading, but anyone who wants to get in touch with the published in 1966 I scarcely gave thought to a future edition. Its whole purpose was to growing edges will find something to meet his inaugurate a radical new outlook on ex taste. perimental psychology, and if that could be Of course, this book will need teachers. As accomplished it was sufficient reward. In the it supersedes the narrow conceptions of 22 years since we have seen adequate-indeed models and statistics still taught as bivariate staggering-evidence that the growth of a new and ANOV A methods of experiment, in so branch of psychological method in science has many universities, those universities will need become established. The volume of research to expand their faculties with newly trained has grown apace in the journals and has young people. The old vicious circle of opened up new areas and a surprising increase obsoletely trained members turning out new of knowledge in methodology. obsoletely trained members has to be The credit for calling attention to the need recognized and broken. And wherever re for new guidance belongs to many members search deals with integral wholes-in per of the Society of Multivariate Experimental sonalities, processes, and groups-researchers Psychology, but the actual innervation is due will recognize the vast new future that to the skill and endurance of one man, John multivariate methods open up.


Partial Least Squares Structural Equation Modeling (PLS-SEM) Using R

Partial Least Squares Structural Equation Modeling (PLS-SEM) Using R

Author: Joseph F. Hair Jr.

Publisher: Springer Nature

Published: 2021-11-03

Total Pages: 208

ISBN-13: 3030805190

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Partial least squares structural equation modeling (PLS-SEM) has become a standard approach for analyzing complex inter-relationships between observed and latent variables. Researchers appreciate the many advantages of PLS-SEM such as the possibility to estimate very complex models and the method’s flexibility in terms of data requirements and measurement specification. This practical open access guide provides a step-by-step treatment of the major choices in analyzing PLS path models using R, a free software environment for statistical computing, which runs on Windows, macOS, and UNIX computer platforms. Adopting the R software’s SEMinR package, which brings a friendly syntax to creating and estimating structural equation models, each chapter offers a concise overview of relevant topics and metrics, followed by an in-depth description of a case study. Simple instructions give readers the “how-tos” of using SEMinR to obtain solutions and document their results. Rules of thumb in every chapter provide guidance on best practices in the application and interpretation of PLS-SEM.


Applied Stochastic Differential Equations

Applied Stochastic Differential Equations

Author: Simo Särkkä

Publisher: Cambridge University Press

Published: 2019-05-02

Total Pages: 327

ISBN-13: 1316510085

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With this hands-on introduction readers will learn what SDEs are all about and how they should use them in practice.


Applications of Lie Groups to Differential Equations

Applications of Lie Groups to Differential Equations

Author: Peter J. Olver

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 524

ISBN-13: 1468402749

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This book is devoted to explaining a wide range of applications of con tinuous symmetry groups to physically important systems of differential equations. Emphasis is placed on significant applications of group-theoretic methods, organized so that the applied reader can readily learn the basic computational techniques required for genuine physical problems. The first chapter collects together (but does not prove) those aspects of Lie group theory which are of importance to differential equations. Applications covered in the body of the book include calculation of symmetry groups of differential equations, integration of ordinary differential equations, including special techniques for Euler-Lagrange equations or Hamiltonian systems, differential invariants and construction of equations with pre scribed symmetry groups, group-invariant solutions of partial differential equations, dimensional analysis, and the connections between conservation laws and symmetry groups. Generalizations of the basic symmetry group concept, and applications to conservation laws, integrability conditions, completely integrable systems and soliton equations, and bi-Hamiltonian systems are covered in detail. The exposition is reasonably self-contained, and supplemented by numerous examples of direct physical importance, chosen from classical mechanics, fluid mechanics, elasticity and other applied areas.


Flexible Multibody System Dynamics: Theory And Applications

Flexible Multibody System Dynamics: Theory And Applications

Author: Mingjun Xie

Publisher: Routledge

Published: 2017-11-13

Total Pages: 176

ISBN-13: 1351448331

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This volume examines the theoretical and practical needs on the subject of multibody system dynamics with emphasis on flexible systems and engineering applications. lt focuses on developing an all purpose algorithm for the dynamic simulation of flexible tree-like systems making use of matrix representation at all levels. The book covers new theories with engineering applications involved in broad fields which include; civil engineering, aerospace and robotics, as well as general and mechanical engineering. The applications include high temperature conditions, time variant contact conditions, biosystem analysis, vibration minimization and control.