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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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Advanced Materials for Sustainable Energy and Engineering : Selected Proceedings of the 2023 International Conference on Advanced Materials for Sustainable Energy and Engineering (ICAMSEE) / / edited by El Mehdi Elkhattabi, Mourad Boutahir, Konstantinos Termentzidis, Kohji Nakamura, Abdelhai Rahmani
| Advanced Materials for Sustainable Energy and Engineering : Selected Proceedings of the 2023 International Conference on Advanced Materials for Sustainable Energy and Engineering (ICAMSEE) / / edited by El Mehdi Elkhattabi, Mourad Boutahir, Konstantinos Termentzidis, Kohji Nakamura, Abdelhai Rahmani |
| Autore | Elkhattabi El Mehdi |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (554 pages) |
| Disciplina | 620.1 |
| Altri autori (Persone) |
BoutahirMourad
TermentzidisKonstantinos NakamuraKohji RahmaniAbdelhai |
| Collana | Springer Proceedings in Energy |
| Soggetto topico |
Materials
Catalysis Force and energy Photovoltaic power generation Sustainability Nanotechnology Materials science - Data processing Materials for Energy and Catalysis Photovoltaics Computational Materials Science |
| ISBN |
9783031570223
9783031570216 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Contents -- Ensemble Learning Method for Forecasting HVAC System Demand -- 1 Introduction -- 2 Literature Review -- 3 Methodology -- 3.1 Ensemble Learning Methods [2] -- 3.2 Case Study and Data Set Information -- 4 Results and Discussion -- 5 Conclusion -- References -- RBDO Approach for Site-to-Wind Turbine Generator Pairing -- 1 Introduction -- 2 Literature Review -- 3 Methodology Review -- 3.1 RBDO Approach -- 4 Problem Formulation -- 4.1 Wind Turbine Performance -- 4.2 Cost Function of the Wind Power Generation -- 5 Conclusion and Future Work -- References -- Investigation Performance of Shell-and-Tube Heat Exchangers in an Energy Storage System: Thermo-Mechanic Load -- 1 Introduction -- 2 Method and Material -- 3 Result and Discussion -- 4 Conclusion -- References -- Numerical Thermal Analysis of Shell-and-Tube Thermal Energy Storage Under the Constraint of High Cycle Temperatures -- 1 Introduction -- 2 Numerical Model -- 3 Result and Discussion |
| Record Nr. | UNINA-9910869159703321 |
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Elkhattabi El Mehdi
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Materials Modelling for Mechanical, Medical and Biological Applications / / edited by Holm Altenbach, Victor A. Eremeyev, Alexander Galybin, Andrey Vasiliev
| Advanced Materials Modelling for Mechanical, Medical and Biological Applications / / edited by Holm Altenbach, Victor A. Eremeyev, Alexander Galybin, Andrey Vasiliev |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (475 pages) |
| Disciplina | 620.11 |
| Collana | Advanced Structured Materials |
| Soggetto topico |
Materials science - Data processing
Biomedical engineering Computational Materials Science Biomedical Engineering and Bioengineering |
| ISBN | 3-030-81705-9 |
| Classificazione | VUT |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Estimate of Elastic Properties of Biological Tissues Using a Finite Element Methodology -- 2. An Efficient Method for Describing Plane Strain Bending of Viscoplastic Sheets at Large Strains -- 3. Using a Radio Interferometer for Measurement of the Dynamic Poisson's ratio of Wood -- 4. An Application of Thermal Analogy in Active Control Problems -- 5. Pneumo-dynamic Experimental Setup for Studying the Behavior of Structural Materials at Strain Rates of the Order of 100 1/s. |
| Record Nr. | UNINA-9910523751703321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Corrosion Modelling / / edited by Reza Javaherdashti
| Advances in Corrosion Modelling / / edited by Reza Javaherdashti |
| Autore | Javaherdashti Reza |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (239 pages) |
| Disciplina | 620.16 |
| Collana | Engineering Materials |
| Soggetto topico |
Metals
Corrosion and anti-corrosives Materials science - Data processing Materials Catalysis Force and energy Artificial intelligence Metals and Alloys Corrosion Computational Materials Science Materials for Energy and Catalysis Artificial Intelligence |
| ISBN |
9783031603587
9783031603570 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1 Introduction -- 2 Basics of corrosion -- 3 Simulation of Cathodic Protection of Buried Steel Pipeline under coating disbondments -- 4 Numerical Modelling of CP Systems for Marine Offshore Structures -- 5 Advances in Use of Internal Corrosion Predictive Modelling on Buried Oil & Gas Pipelines. |
| Record Nr. | UNINA-9910878045003321 |
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Javaherdashti Reza
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Design of Battery Materials / / edited by Dorian A. H. Hanaor
| Computational Design of Battery Materials / / edited by Dorian A. H. Hanaor |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (589 pages) |
| Disciplina | 621.312424 |
| Collana | Topics in Applied Physics |
| Soggetto topico |
Materials
Catalysis Force and energy Materials science - Data processing Electric batteries Machine learning Condensed matter Chemistry, Physical and theoretical Materials for Energy and Catalysis Computational Materials Science Batteries Machine Learning Two-dimensional Materials Theoretical Chemistry |
| ISBN |
9783031473036
9783031473029 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Battery materials: Bringing it all together for tomorrow’s energy storage needs -- Atomistic Simulations of Battery Materials and Processes -- Ab Initio Interfacial Electrochemistry Applied to Understanding, Tuning and Designing Battery Chemistry -- Electrolyte-Electrode Interfaces: A Review of Computer Simulations -- Many-particle Na-ion dynamics in NaMPO4 olivine phosphates (M=Mn, Fe) -- Crystal Structure Prediction for Battery Materials -- Nanoscale Modelling of Substitutional Disorder in Battery Materials -- Machine learning methods for the design of battery manufacturing processes -- Machine learning methods for the design of battery manufacturing processes -- Applications of Ab Initio Molecular Dynamics for Modeling Batteries -- Forming a Chemically-Guided Basis for Cathode Materials with Reduced Biological Impact using Combined Density Functional Theory and Thermodynamics Modeling -- Oxygen Redox in Battery Cathodes: A Brief Overview -- Theoretical Investigation of Layered Anode Materials -- Design of Improved Cathode Materials by Intermixing Transition Metals in Sodium-Iron Sulphate and Sodium Manganate for Sodium-Ion Batteries -- Sodium Intercalation into Graphite and Graphene Complexes towards Advanced Sodium-Ion Battery Anode Materials -- Combining molecular simulations with modern experiments to design ionic liquid-based battery electrolytes -- Design of battery materials via defects and doping -- Role of Adsorption Energy in the Design of Battery Materials: A DFT Perspective. |
| Record Nr. | UNINA-9910872195703321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Modelling in Industry 4.0 : A Sustainable Resource Management Perspective / / edited by Irfan Ali, Prasenjit Chatterjee, Ali Akbar Shaikh, Neha Gupta, Ali AlArjani
| Computational Modelling in Industry 4.0 : A Sustainable Resource Management Perspective / / edited by Irfan Ali, Prasenjit Chatterjee, Ali Akbar Shaikh, Neha Gupta, Ali AlArjani |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (374 pages) |
| Disciplina | 658.4038028563 |
| Collana | Engineering Series |
| Soggetto topico |
Industrial engineering
Production engineering Materials science - Data processing Industrial and Production Engineering Process Engineering Computational Materials Science |
| ISBN |
981-16-7722-0
981-16-7723-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Fundamental Aspects of Computational Methods in Industry 4.0 -- A Note on the Impact of sustainable industrial value creation under Industry 4.0 -- New Challenges of Industry 4.0 in sustainable manufacturing management -- Multicriteria Decision Making Approach in Sustainable MSW Management Systems -- Sustainable Decision-Making in Material selection in the Construction Industry under Industry 4.0. |
| Record Nr. | UNINA-9910743234503321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Thermo-kinetics of Rigid Polyurethane Foams : Theory and Applications / / by Arnold A. Lubguban, Arnold C. Alguno, Roberto M. Malaluan, Gerard G. Dumancas
| Computational Thermo-kinetics of Rigid Polyurethane Foams : Theory and Applications / / by Arnold A. Lubguban, Arnold C. Alguno, Roberto M. Malaluan, Gerard G. Dumancas |
| Autore | Lubguban Arnold A |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (165 pages) |
| Disciplina | 530.10285 |
| Altri autori (Persone) |
AlgunoArnold C
MalaluanRoberto M DumancasGerard G |
| Collana | SpringerBriefs in Applied Sciences and Technology |
| Soggetto topico |
Mathematical physics
Computer simulation Materials science - Data processing Artificial intelligence Quantum computers Computational Physics and Simulations Computational Materials Science Artificial Intelligence Quantum Computing |
| ISBN |
9789819620777
9819620775 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | -- Foundations of Computational Thermokinetics in RPUF. -- Modeling Techniques. -- Key Factors in Computational Modeling of RPUF. -- Implications and Future Outcomes. |
| Record Nr. | UNINA-9910983089403321 |
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Lubguban Arnold A
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Control Theory in Rheology : An Introduction to Practical Applications / / by Tommi Borg
| Control Theory in Rheology : An Introduction to Practical Applications / / by Tommi Borg |
| Autore | Borg Tommi |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XIII, 225 p. 123 illus., 59 illus. in color.) |
| Disciplina | 531.1134 |
| Soggetto topico |
Rheology
Mathematical physics Fluid mechanics Automatic control Materials science - Data processing Mathematical Methods in Physics Engineering Fluid Dynamics Control and Systems Theory Computational Materials Science |
| ISBN | 3-031-88248-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1.Theoretical and Practical Rheology -- 2.The Principle of Control Theory (CT) -- 3.Basics of distribution Functions -- 4.Steady Shear Viscosity -- 5.Complex Viscosit -- 6.Relaxation Modulus -- 7.Converting RED function to MWD -- 8.From MWD to RED and back again -- 9.From measured viscosity data to MWD -- 10.Start-up and transient flow effects -- 11.Elongational viscosity -- 12.Temperature and viscoelastic relations -- 13.Computation Cases -- 14.Overview of the Unified Model -- 15.Hemorheological method for analyses -- 16.Comparison With other known models. |
| Record Nr. | UNINA-9911003694303321 |
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Borg Tommi
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications / / edited by Eric Cancès, Gero Friesecke
| Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications / / edited by Eric Cancès, Gero Friesecke |
| Autore | Cancès Eric |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (595 pages) |
| Disciplina |
510
541.28 |
| Altri autori (Persone) | FrieseckeGero |
| Collana | Mathematics and Molecular Modeling |
| Soggetto topico |
Mathematics
Condensed matter Atoms Molecules Quantum chemistry Electronics - Materials Materials science - Data processing Condensed Matter Physics Atomic, Molecular and Chemical Physics Quantum Chemistry Electronic Materials Computational Materials Science |
| ISBN |
9783031223402
3031223403 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1. Review of approximations for the exchange-correlation energy in density-functional theory -- Chapter 2. On connecting density functional approximations to theory -- Chapter 3. Universal functionals in density functional theory -- Chapter 4. The strong-interaction limit of density functional theory -- Chapter 5. Moreau–Yosida regularization in DFT -- Chapter 6. Thermodynamic limits of electronic systems -- Chapter 7. Numerical methods for Kohn–Sham models: discretization, algorithms, and error analysis -- Chapter 8. Recent progress in evaluating the Kohn–Sham map -- Chapter 9. Augmented plane wave methods for full-potential calculations -- Chapter 10. Finite Element Methods for Density Functional Theory -- Chapter 11. Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations -- Chapter 12. Accurate approximations of density functional theory for large systems with applications to defects in crystalline solids -- Glossary -- Notation. |
| Record Nr. | UNINA-9910735774803321 |
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Cancès Eric
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electronic, Magnetic, and Thermoelectric Properties of Spinel Ferrite Systems : A Monte Carlo Study, Mean-Field Theory, High-Temperature Series Expansions, and Ab-Initio Calculations / / by Rachid Masrour
| Electronic, Magnetic, and Thermoelectric Properties of Spinel Ferrite Systems : A Monte Carlo Study, Mean-Field Theory, High-Temperature Series Expansions, and Ab-Initio Calculations / / by Rachid Masrour |
| Autore | Masrour Rachid |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (xiv, 128 pages) : illustrations |
| Disciplina | 620.1697 |
| Collana | SpringerBriefs in Materials |
| Soggetto topico |
Magnetism
Metals Materials science - Data processing Thermoelectric materials Mathematical physics Computer simulation Metals and Alloys Computational Materials Science Thermoelectrics Computational Physics and Simulations |
| ISBN |
9783031406133
3031406133 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Exchange interactions types in magnetic materials -- Computational methods: Ab Initio calculations and Monte Carlo simulations -- Thermoelectric and spin-lattice coupling in a MnCr2S4 ferrimagnetic spinel -- Magnetic properties of LiMn1.5Ni0.5O4 spinel: Ab initio calculations and Monte Carlo simulation. |
| Record Nr. | UNINA-9910746286403321 |
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Masrour Rachid
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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