Atomistic nano-scale 3D simulations about effects of Cr percentage on the molecular dynamics parameters of Fe-9–12% Cr alloys at fusion reactor temperature conditions
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T. Korkut
Abstract
9–12% Cr ferritic steel structures at atomic scale were modeled by LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) Molecular Dynamics package with high accuracy. Embedded-Atom Model (EAM) potential parameters were applied for Fe–Fe, Fe–Cr and Cr–Cr atomic interactions. Nuclear reactor temperature conditions were used in the simulations. Heat flux, kinetic energy, potential energy, total energy, pressures, and atomic displacements of Fe–Cr steels including 9%, 10%, 11%, and 12% Cr were given.
Kurzfassung
Ferritische Stahlstrukturen mit 9–12% Cr wurden im atomaren Bereich mit Hilfe des Programmpakets für Molekulardynamik-Simulationen, LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), mit hoher Genauigkeit modelliert. Embedded-Atom-Model (EAM) Parameter wurden auf Fe–Fe, Fe–Cr und Cr–Cr atomare Wechselwirkungen angewendet. Bei den Simulationen wurden Kernreaktor-Temperaturbedingungen angenommen. Wärmestromdichte, kinetische Energie, potentielle Eenergie, Gesamt-Energie, Druck und atomare Verschiebungen von Fe–Cr Stählen einschließlich 9%, 10%, 11%, and 12% Cr werden angegeben.
References
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© 2014, Carl Hanser Verlag, München
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Articles in the same Issue
- Contents/Inhalt
- Contents
- Summaries/Kurzfassungen
- Summaries
- Technical Contributions/Fachbeiträge
- Decomposition analysis of the sodium void reactivity of the Korean sodium-cooled fast reactor
- Flow accelerated corrosion study in feeder pipes
- Analysis of the flow instability among channels of the OTSG in the naval craft NPP
- Experimental investigation of the MSFR molten salt reactor concept
- Investigation of neutronic behavior in a CANDU reactor with different (Am, Th, 235U)O2 fuel matrixes
- Atomistic nano-scale 3D simulations about effects of Cr percentage on the molecular dynamics parameters of Fe-9–12% Cr alloys at fusion reactor temperature conditions
- On an analytical evaluation of the flux and dominant eigenvalue problem for the steady state multi-group multi-layer neutron diffusion equation
- A finite volume approach to the problem of heat transfer in axisymmetric annulus geometry with internal heating element using local analytical solution techniques
- CO2 doped γ-irradiated hydroxyapatite for EPR dosimetry
- An investigation of the effect of the upper beryllium reflector on the moderator temperature coefficient of reactivity of miniature neutron source reactors
