First-Principles Approaches to Metals, Alloys, and Metallic Compounds

Dublin Core

Title

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

Subject

Mining and Metallurgy --- Chemistry (General)

Description

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

Creator

Richard Dronskowski (Ed.)

Source

https://www.mdpi.com/books/pdfview/book/873

Publisher

MDPI - Multidisciplinary Digital Publishing Institute

Date

2018

Contributor

Baihaqi

Rights

Creative Commons

Format

PDF

Language

English

Type

Textbooks

Files

Citation

Richard Dronskowski (Ed.), “First-Principles Approaches to Metals, Alloys, and Metallic Compounds
,” Open Educational Resource (OER) - USK Library, accessed May 28, 2024, http://uilis.usk.ac.id/oer/items/show/3453.

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