A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Properties of fusion-relevant liquid Li-Sn alloys: An ab initio molecular-dynamics study
Plasma-facing conditions in a fusion reactor present challenges of erosion and brittleness for solid materials; a liquid metal alternative potentially could provide a self-healing and replenishing first wall. Among the most promising candidates, Li-Sn alloys have desirable characteristics derived from both of their elemental constituents. However, their deployment has been limited due to a lack of experimental data for many properties at the concentration ratios of interest (Li30Sn70 and Li20Sn80). Here, we present ab initio molecular-dynamics studies of this alloy at both concentration ratios and evaluate relevant properties, including static structure factors and diffusion coefficients of bulk alloys, as well as density profiles and surface segregation of the liquid Li30Sn70 film.
Properties of fusion-relevant liquid Li-Sn alloys: An ab initio molecular-dynamics study
Plasma-facing conditions in a fusion reactor present challenges of erosion and brittleness for solid materials; a liquid metal alternative potentially could provide a self-healing and replenishing first wall. Among the most promising candidates, Li-Sn alloys have desirable characteristics derived from both of their elemental constituents. However, their deployment has been limited due to a lack of experimental data for many properties at the concentration ratios of interest (Li30Sn70 and Li20Sn80). Here, we present ab initio molecular-dynamics studies of this alloy at both concentration ratios and evaluate relevant properties, including static structure factors and diffusion coefficients of bulk alloys, as well as density profiles and surface segregation of the liquid Li30Sn70 film.
Properties of fusion-relevant liquid Li-Sn alloys: An ab initio molecular-dynamics study
Beatriz G. del Rio (author) / Emily K. de Jong (author) / Emily A. Carter (author)
2019
Article (Journal)
Electronic Resource
Unknown
Metadata by DOAJ is licensed under CC BY-SA 1.0
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
| DOAJ | 2021
Kinetic and thermodynamic properties of liquid zinc: An ab initio molecular dynamics study
| British Library Online Contents | 2018
Kinetic and thermodynamic properties of liquid zinc: An ab initio molecular dynamics study
| British Library Online Contents | 2018
Kinetic and thermodynamic properties of liquid zinc: An ab initio molecular dynamics study
| British Library Online Contents | 2018
| British Library Online Contents | 1994