FEMS EUROMAT 2023
Lecture
05.09.2023
A combined molecular dynamics and dislocation dynamics simulation of dislocation mobility, dislocation density, and the stress-strain relationship in FeCrNi alloys
TK

Thaneshwor Kaloni (Ph.D.)

Canadian Nuclear Laboratories

Kaloni, T. (Speaker)¹; Prudil, A.¹; Spearot, D.²; Torres, E.³
¹Canadian Nuclear Lab, Chalk River (Canada); ²University of Florida, Gainesville (United States); ³Canadian Nuclear Laboratories, Chalk River (Canada)
Vorschau
20 Min. Untertitel (CC)

Molecular dynamics (MD) simulations of Fe40Cr25Ni35 and Fe50Cr20Ni30 alloys were performed at room temperature, with applied shear stresses ranging from 100 to 500 MPa, to evaluate the dislocation mobility, Poisson ratio, and shear modulus. The average velocity of the dislocation was used to obtain the linear drag coefficient and the dislocation mobility. These parameters were then applied as input parameters in dislocation dynamics (DD) simulations to assess the evolution of dislocation density as a function of time and applied stress, as well as the stress-strain relationship. Our results further demonstrate the benefit of coupling MD-DD simulations as a bottom-up approach to assess material mechanical properties at a large scale under a wide range of temperature, stress and strain conditions.


Abstract

Abstract

Erwerben Sie einen Zugang, um dieses Dokument anzusehen.

Ähnliche Beiträge

© 2025