Utt, Daniel Thomas (2017)
Atomistic Simulation of Grain Boundary Effects in a high Entrophy Alloy.
Technische Universität Darmstadt
Masterarbeit, Bibliographie
Kurzbeschreibung (Abstract)
The following master thesis deals with atomistic simulations of grain boundaries (GBs)in a CuNiCoFe HEA, focusing on Cu segregation and mechanical properties under tensile load. The alloy will be described by an embedded-atom method (EAM) poten-tial; Monte Carlo (MC) molecular statics (MS), and molecular dynamics (MD) methods will used.
First we will investigate the mechanical and thermodynamic features described by the interatomic potential. We will compare characteristic values like lattice constants, elastic constants, and stacking fault energies to literature references and investigate the enthalpy of mixing for the different binary subsystems. The influence of the configurational entropy onto the phase stability of the HEA will be studied under the assumption of ideal Cu demixing.
The thermodynamics of Cu segregation will be studied on a Σ = 11(332) bicrystal. The mechanical properties of this bicrystal will be studied under tensile loading. The yield strength of a Cu, Ni, a perfectly random HEA, and a chemically equilibrated HEA sample will be compared. Cu, Ni, random CuNiCoFe, and a chemically equilibrated HEA nano crystal will be subjected to tensile straining. Their yield strength and grain growth tendencies will be investigated.
| Typ des Eintrags: | Masterarbeit |
|---|---|
| Erschienen: | 2017 |
| Autor(en): | Utt, Daniel Thomas |
| Art des Eintrags: | Bibliographie |
| Titel: | Atomistic Simulation of Grain Boundary Effects in a high Entrophy Alloy |
| Sprache: | Englisch |
| Referenten: | Albe, Prof. Dr. Karsten ; Durst, Prof. Dr. Karsten |
| Publikationsjahr: | 23 September 2017 |
| Ort: | Darmstadt |
| Kurzbeschreibung (Abstract): | The following master thesis deals with atomistic simulations of grain boundaries (GBs)in a CuNiCoFe HEA, focusing on Cu segregation and mechanical properties under tensile load. The alloy will be described by an embedded-atom method (EAM) poten-tial; Monte Carlo (MC) molecular statics (MS), and molecular dynamics (MD) methods will used. First we will investigate the mechanical and thermodynamic features described by the interatomic potential. We will compare characteristic values like lattice constants, elastic constants, and stacking fault energies to literature references and investigate the enthalpy of mixing for the different binary subsystems. The influence of the configurational entropy onto the phase stability of the HEA will be studied under the assumption of ideal Cu demixing. The thermodynamics of Cu segregation will be studied on a Σ = 11(332) bicrystal. The mechanical properties of this bicrystal will be studied under tensile loading. The yield strength of a Cu, Ni, a perfectly random HEA, and a chemically equilibrated HEA sample will be compared. Cu, Ni, random CuNiCoFe, and a chemically equilibrated HEA nano crystal will be subjected to tensile straining. Their yield strength and grain growth tendencies will be investigated. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 03 Nov 2017 12:29 |
| Letzte Änderung: | 03 Nov 2017 12:29 |
| PPN: | |
| Referenten: | Albe, Prof. Dr. Karsten ; Durst, Prof. Dr. Karsten |
| Export: | |
| Suche nach Titel in: | TUfind oder in Google |
 |
Frage zum Eintrag |
Optionen (nur für Redakteure)
 |
Redaktionelle Details anzeigen |
Drucken
Impressum