Influence of H-Content on Thermo-Mechanical Properties of NiAl Alloys
| Autor: | Tahir Cagin, Uğur Aslan |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Nial Materials science Mechanical Engineering 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Mechanics of Materials 0103 physical sciences General Materials Science Composite material 0210 nano-technology computer Thermo mechanical computer.programming_language |
| Zdroj: | Materials Science Forum. 915:224-228 |
| ISSN: | 1662-9752 |
| DOI: | 10.4028/www.scientific.net/msf.915.224 |
| Popis: | The effect of Hydrogen on thermo-mechanical properties and performance of metals and alloys are of critical importance. In recent years, the relevance of H-metal interactions has been broadened into functional metallic compounds and alloys as they find use in energy and medical applications. Here, we aim to assess the influence of H-content on thermal, physical, chemical, and mechanical properties on Nickel-Aluminum alloys using Molecular Dynamics (MD) and Density Functional Theory (DFT) methods. We report studies on Ni3Al, Al3Ni, AlNi with H-content ranging from 1% to 10% at elevated temperatures for different structures such as B1, B2, L10, A4 and random and ordered in L12 to establish enthalpy-temperature-concentration, volume-temperature concentration, volume-pressure-concentration relationships. From these relationships we derive thermodynamic and mechanical properties such as thermal expansion, bulk modulus and Young modulus. |
| Databáze: | OpenAIRE |
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