Richard dronskowski (15 Ergebnisse)

Zustand: New. In English.

PAP. Zustand: New. New Book. Shipped from UK. Established seller since 2000.

Zustand: New. In English.

Taschenbuch. Zustand: Neu. Neuware - Current fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineering perspective, there is a need for structural materials that are suitable for mechanical and civil engineering as well as energy production and conversion. While different microstructural features influence the macroscopic behaviour, quantum-mechanical simulation may enormously accelerate and guide the entire development process since atomistic modelling allows for the generation of structural models and the calculation of enthalpies and other free energies as a function of pressure and temperature. Among other things, this volume covers high-manganese steels, some of which have come to light within Collaborative Research Centre 761 ('Steel ab initio'). In particular, it deals with short-range ordering from experiment and theory, also highlighting carbide-like precipitates, and it bridges the gap between atomistic and continuum levels, in particular for hydrogen embrittlement. Molecular dynamics simulates crack propagation, and first-principles theory helps in growing better intermetallic thin films and predicts structural and elastic properties. Eventually, multiscale modelling of hydrogen transport is provided, and the chemical reasons for H-trapping ?-carbides are highlighted. First-principles theory has acquired a powerful role in the fundamental and applied research of metals, alloys, and metallic compounds.…

Kartoniert / Broschiert. Zustand: New. KlappentextrnrnCurrent fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineeri.

Paperback. Zustand: Brand New. 186 pages. 9.45x6.69x0.51 inches. In Stock.

Zustand: New.

Zustand: New. Richard Dronskowski is Distinguished Professor at RWTH Aachen University, Germany, where he holds the Chair of Solid-State and Quantum Chemistry, and he is also Distinguished Research Professor at the Hoffmann Institute of Advanced Materials in Shenzhen..

Taschenbuch. Zustand: Neu. Neuware - Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training.…

Zustand: Usado.

Taschenbuch. Zustand: Neu. Chemical Bonding | From Plane Waves via Atomic Orbitals | Richard Dronskowski | Taschenbuch | De Gruyter Textbook | XIV | Englisch | 2023 | Walter de Gruyter | EAN 9783111166537 | Verantwortliche Person für die EU: Walter de Gruyter GmbH, De Gruyter GmbH, Genthiner Str. 13, 10785 Berlin, productsafety[at]degruyterbrill[dot]com | Anbieter: preigu. …

Taschenbuch. Zustand: Neu. Neuware -Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materialsWalter de Gruyter, Genthiner Straße 13, 10785 Berlin 172 pp. Englisch.…

Zustand: New. 2023. Paperback. . . . . . Books ship from the US and Ireland.

Zustand: Good. Your purchase helps support Sri Lankan Children's Charity 'The Rainbow Centre'. Ex-library, so some stamps and wear, but in good overall condition. Our donations to The Rainbow Centre have helped provide an education and a safe haven to hundreds of children who live in appalling conditions.…

Zustand: New. pp. 3000.