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Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono
| Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono |
| Autore | Maezono Ryo |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (285 pages) |
| Disciplina | 780 |
| Soggetto topico |
Density functionals
Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Materials Chemistry Computer simulation Density Functional Theory Electronic Structure Calculations Computational Materials Science Computational Design Of Materials |
| ISBN | 9789819909193 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories. . |
| Record Nr. | UNINA-9910726296303321 |
Maezono Ryo
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials / / by Rachid Masrour
| Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials / / by Rachid Masrour |
| Autore | Masrour Rachid |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (128 pages) |
| Disciplina | 620.198 |
| Collana | SpringerBriefs in Materials |
| Soggetto topico |
Perovskite (Mineral)
Materials science - Data processing Materials - Analysis Density functionals Mathematical physics Computer simulation Perovskites Computational Materials Science Materials Characterization Technique Density Functional Theory Computational Physics and Simulations |
| ISBN | 3-031-48967-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Calculation methods: Monte Carlo Simulation and Ab Initio Calculations -- Magnetocaloric Effect, Electronic and Magnetic Properties in Manganite Perovskites -- Study of Magnetocaloric Effect, Electronic and Magnetic Properties of Ferrite Perovskites -- Magnetic and Magnetocaloric, Electronic, Magneto-optical, and Thermoelectric Properties of Perovskite Chromites -- Magnetic Properties and Magnetocaloric in Double Perovskite Oxides -- Magnetocaloric and Magnetic Properties of Bilayer Manganite -- Magnetocaloric Properties of Surface Effects in Perovskites Ferromagnetic Thin Films -- Effect of Magnetic Field on the Magnetocaloric and Magnetic Properties of Orthoferrites Perovskite. |
| Record Nr. | UNINA-9910767522103321 |
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Masrour Rachid
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modelling Atomic Arrangements in Multicomponent Alloys : A Perturbative, First-Principles-Based Approach / / by Christopher D. Woodgate
| Modelling Atomic Arrangements in Multicomponent Alloys : A Perturbative, First-Principles-Based Approach / / by Christopher D. Woodgate |
| Autore | Woodgate Christopher D |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (217 pages) |
| Disciplina | 530.10285 |
| Collana | Springer Series in Materials Science |
| Soggetto topico |
Mathematical physics
Computer simulation Materials science - Data processing Metals Molecular dynamics Density functionals Computational Physics and Simulations Computational Materials Science Metals and Alloys Molecular Dynamics Density Functional Theory |
| ISBN | 3-031-62021-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Statistical Physics of Multicomponent Alloys -- Electronic Structure Ab Initio -- Atomic Short-Range Order and Phase Stability of the Refractory High-Entropy Alloys -- Multiphase Behaviour in the Ti𝒙NbMoTaW and Ti𝒙VNbMoTaW High-Entropy Alloys -- Phase Stability of the Cantor-Wu Medium- and High-Entropy Alloys -- A Cautionary Tale: Treatment of the Magnetic State in the Cantor-Wu Alloys -- Compositional Order and Subsequent Magnetostriction in Fe1−𝒙Ga𝒙 (Galfenol) -- Summary, Conclusions, and Outlook. |
| Record Nr. | UNINA-9910879597603321 |
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Woodgate Christopher D
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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