• Corpus ID: 245704380

Interatomic machine learning potentials for aluminium: application to solidification phenomena

@inproceedings{Jakse2022InteratomicML,
  title={Interatomic machine learning potentials for aluminium: application to solidification phenomena},
  author={No{\"e}l Jakse and Johannes Sandberg and Leon F Granz and Anthony Saliou and Philippe Jarry and Emilie Devijver and Thomas Voigtmann and J{\"u}rgen Horbach and Andreas Meyer},
  year={2022}
}
In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and the liquid states. Taking into account rare nucleation events or structural relaxation under deep undercooling conditions requires much larger length scales and longer time scales than those achievable by ab initio molecular dynamics (AIMD). This problem is… 

Figures and Tables from this paper

References

SHOWING 1-10 OF 26 REFERENCES

Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics simulations utilizing the second nearest neighbor modified embedded atom method potentials. The

Numerical calculation of the rate of crystal nucleation in a Lennard‐Jones system at moderate undercooling

We report a computer‐simulation study of the rate of homogeneous crystal nucleation and the structure of crystal nuclei in a Lennard‐Jones system at moderate undercooling. The height of the

Nucleation in condensed matter : applications in materials and biology

Should All Crystals Be bcc? Landau Theory of Solidification and Crystal Nucleation

Very general symmetry considerations uniquely favor a bcc crystal structure near the melting line. This agrees with observations that almost all metals on the left-hand side of the periodic table are

Bonding And Structure Of Molecules And Solids

The bonding and structure of molecules and solids is universally compatible with any devices to read and is available in the authors' book collection an online access to it is set as public so you can get it instantly.

The Elements of Statistical Learning: Data Mining, Inference, and Prediction

This book is a valuable resource, both for the statistician needing an introduction to machine learning and related Ž elds and for the computer scientist wishing to learn more about statistics, and statisticians will especially appreciate that it is written in their own language.

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations that combines object-oriented C++ with Python scripts.

From Hamiltonians to Phase Diagrams

The ab-initio calculation of phase diagrams for metals and alloys using electronic and thermodynamic perturbation theories is discussed.

Philosophical Magazine

THE Philosophical Magazine is now within two years of celebrating the hundred and fiftieth anniversary of its first publication. The outlook of physical science has changed in the intervening years

“A and B”:

Direct fabrication of large micropatterned single crystals. p1205 21 Feb 2003. (news): Academy plucks best biophysicists from a sea of mediocrity. p994 14 Feb 2003.