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1. |
Record Nr. |
UNINA9910464389703321 |
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Autore |
Giustino Feliciano |
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Titolo |
Materials modelling using density functional theory : properties and predictions / / Feliciano Giustino |
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Pubbl/distr/stampa |
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Oxford, [England] ; ; New York, New York : , : Oxford University Press, , 2014 |
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©2014 |
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ISBN |
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Descrizione fisica |
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1 online resource (303 p.) |
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Disciplina |
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Soggetti |
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Materials - Mathematical models |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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""2.5 Independent electrons approximation""""2.6 Exclusion principle""; ""2.7 Mean-field approximation""; ""2.8 Hartree--Fock equations""; ""2.9 Kohn--Sham equations""; ""3 Density functional theory""; ""3.1 Total energy of the electronic ground state""; ""3.2 Kohn--Sham equations""; ""3.3 The local density approximation""; ""3.4 Self-consistent calculations""; ""3.5 Remit of density functional theory and limitations""; ""4 Equilibrium structures of materials: fundamentals""; ""4.1 The adiabatic approximation""; ""4.2 Atomic forces"" |
""4.3 Calculating atomic forces using classical electrostatics""""4.4 How to find the equilibrium configuration using calculated forces""; ""5 Equilibrium structures of materials: calculations vs. experiment""; ""5.1 Structure of molecules""; ""5.2 Structure of crystals""; ""5.3 Comparison of DFT structures with X-ray crystallography""; ""5.4 Structure of surfaces""; ""5.5 Comparison of DFT surface reconstructions with STM""; ""6 Elastic properties of materials""; ""6.1 Elastic deformations""; ""6.2 Intuitive notions of stress and strain using computer experiments"" |
""6.3 General formalism for the elastic properties of solids""""6.4 Calculating elastic constants using the DFT total energy""; ""6.5 Examples of calculations of elastic constants""; ""6.6 The stress theorem""; ""6.7 DFT predictions for materials under extreme conditions""; ""7 Vibrations of molecules and solids""; ""7.1 Heuristic |
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notion of atomic vibrations""; ""7.2 Formal theory of vibrations for classical nuclei""; ""7.3 Calculations of vibrational eigenmodes and eigenfrequencies""; ""7.4 Vibrations of crystalline solids""; ""8 Phonons, vibrational spectroscopy and thermodynamics"" |
""8.1 Basics of Raman and neutron scattering spectroscopy""""8.2 Going beyond the classical approximation for nuclei""; ""8.3 Vibrons and phonons""; ""8.4 Phonon density of states""; ""8.5 Phonon DOS and pressure--temperature phase diagrams""; ""9 Band structures and photoelectron spectroscopy""; ""9.1 Kohn--Sham energies and wavefunctions""; ""9.2 Calculation of band structures using DFT""; ""9.3 Basics of angle-resolved photoelectron spectroscopy""; ""9.4 Metals, insulators and semiconductors""; ""9.5 The band gap problem""; ""10 Dielectric function and optical spectra"" |
""10.1 The dielectric function of a model solid"" |
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Sommario/riassunto |
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This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrodinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in |
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2. |
Record Nr. |
UNINA9910590091103321 |
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Autore |
Pfanne Martin |
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Titolo |
In-Hand Object Localization and Control: Enabling Dexterous Manipulation with Robotic Hands / / by Martin Pfanne |
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Pubbl/distr/stampa |
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Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 |
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ISBN |
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Edizione |
[1st ed. 2022.] |
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Descrizione fisica |
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1 online resource (213 pages) |
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Collana |
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Springer Tracts in Advanced Robotics, , 1610-742X ; ; 149 |
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Disciplina |
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Soggetti |
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Automatic control |
Robotics |
Automation |
Control, Robotics, Automation |
Control and Systems Theory |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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Introduction -- Related Work -- Grasp Modeling -- Grasp State Estimation -- Impedance-based Object Control -- Conclusion. . |
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Sommario/riassunto |
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This book introduces a novel model-based dexterous manipulation framework, which, thanks to its precision and versatility, significantly advances the capabilities of robotic hands compared to the previous state of the art. This is achieved by combining a novel grasp state estimation algorithm, the first to integrate information from tactile sensing, proprioception and vision, with an impedance-based in-hand object controller, which enables leading manipulation capabilities, including finger gaiting. The developed concept is implemented on one of the most advanced robotic manipulators, the DLR humanoid robot David, and evaluated in a range of challenging real-world manipulation scenarios and tasks. This book greatly benefits researchers in the field of robotics that study robotic hands and dexterous manipulation topics, as well as developers and engineers working on industrial automation applications involving grippers and robotic manipulators. |
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