dc.contributor.advisor | Akola, Jaakko | |
dc.contributor.advisor | Holmestad, Randi | |
dc.contributor.author | Kleiven, David | |
dc.date.accessioned | 2022-03-01T07:05:40Z | |
dc.date.available | 2022-03-01T07:05:40Z | |
dc.date.issued | 2022 | |
dc.identifier.isbn | 978-82-326-6631-7 | |
dc.identifier.issn | 2703-8084 | |
dc.identifier.uri | https://hdl.handle.net/11250/2981899 | |
dc.description.abstract | Numerical modelling is becoming an increasingly important tool when developing new materials. However, material properties depend on physical phenomena spanning across a wide range of length and time scales. Therefore, it is not viable to incorporate all the essential effects into a single model. Hence, interconnected models operating on different length scales are needed. This doctoral work describes the development of such multi-scale models. Special attention is given to the Cluster Expansion (CE). CE is a modelling technique that connects electronic structure energetics to thermodynamics. The CE technique is applied to materials that are of interest to the aluminium industry. The thesis consists of a collection of the following articles "Atomistic simulations of early-stage clusters in AlMg alloys", "CLEASE: a versatile and user-friendly implementation of cluster expansion method", "Precipitate formation in aluminium alloys: Multi-scale modelling approach", "Training sets based on uncertainty estimates in the cluster-expansion method" and "Phase transformation pathway of Sn anode in magnesium batteries". | en_US |
dc.language.iso | eng | en_US |
dc.publisher | NTNU | en_US |
dc.relation.ispartofseries | Doctoral theses at NTNU;2022:37 | |
dc.title | Multi-scale Modelling of Precipitation in Alloys | en_US |
dc.type | Doctoral thesis | en_US |
dc.subject.nsi | VDP::Mathematics and natural science: 400::Physics: 430 | en_US |
dc.description.localcode | Fulltext is not available | en_US |