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Output details

13 - Electrical and Electronic Engineering, Metallurgy and Materials

Imperial College London : B - Metallurgy and Materials

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Article title

Heterogeneous nucleation of solid Al from the melt by TiB(2) and Al(3)Ti: An ab initio molecular dynamics study

Type
D - Journal article
Title of journal
Physical Review B
Article number
ARTN 184203
Volume number
82
Issue number
18
First page of article
-
ISSN of journal
1098-0121
Year of publication
2010
URL
-
Number of additional authors
3
Additional information

This is the first paper to use density functional theory molecular dynamics to study the nucleation of solid aluminium by titanium diboride (the most important refiner). It demonstrated clearly the importance of Ti termination of TiB2, and challenged the established description of nucleation derived from TEM and X-ray data. As well as forming the foundation of a subsequent PhD project, it helped two of the authors become partners in the European project EXOMET (led by ESA, and including 26 industrial and academic partners) to produce novel nano-composites for aerospace and automotive applications.

Interdisciplinary
-
Cross-referral requested
-
Research group
None
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-