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Molecular dynamics simulations of phase formation and stability in the Al(Ni) system under irradiation

Publications associées (32)

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Ion implantation in Ni-Ti shape memory alloy thin films

The present thesis focuses on the effect of 5 MeV Ni ion irradiation on the microstructure and the thermomechanical behavior in prestrained (ε∼4%) martensitic Ti-rich NiTi thin films. At this ion energy, damage is limited to a depth of approximately 2 µm ( ...

EPFL2005

SIA activity during irradiation of nanocrystalline Ni

Helena Van Swygenhoven

Cascade damage simulations in a 12 nm nanocrystalline Ni sample are presented. Sinks present in the sample such as grain boundaries and vacancy defects influence the movement of self-interstitial atoms (SIAs). Two temporal mechanisms of SIA activity during ...

2003

Computer simulation of displacement cascades in nanocrystalline Ni

Helena Van Swygenhoven

Large-scale molecular dynamics of cascade production of the primary damage state are performed in fcc nanocrystalline Ni of average grain diameters of 5 and 12 nm. Primary knock-on atom kinetic energies of 5-30 keV are simulated. During the thermal spike p ...

2002

The damage accumulation in Cu and W is investigated using a multiscale modeling approach. The efficiency for defect production of displacement cascades is calculated using molecular dynamics (MD). The simulation uses the recoil spectra from spallation reac ...

2001

Nickel-aluminium intermetallics constitute interesting systems for the study of irradiation-induced phase transformations (order → disorder, amorphization) and production of defects. Irradiation of ordered intermetallics may induce disorder or amorphizatio ...

EPFL2000

Defect production and damage evolution in Al: a molecular dynamics and Monte Carlo computer simulation

Predicting microstructure evolution of metals under irradiation requires an in depth understanding of the production and properties of point defects and their clusters. Although, analytical descriptions based on the production bias model have recently been ...

1999

Annealing Kinetics of Single Displacement Cascades in Ni: An Atomic Scale Computer Simulation Study

In order to describe the long term evolution of the defects produced by a displacement cascade, Molecular dynamics (MD) and Kinetic Monte Carlo (KMC) methods are employed. Using an empirical Ni interatomic potential in MD, the damage resulting from primary ...

1999

Stability of Al0.75Ni0.25 amorphous zones induced by Ni ion implantation into pure aluminium

Aïcha Hessler-Wyser

Implantation of Ni ions into pure aluminium shows the formation of amorphous zones (AZ). Measurements by energy dispersive spectrometry attribute to the amorphous zones at Ni concentration of 25 at.%. These amorphous regions are relatively stable under hea ...

1998

The kinetics of amorphization and disordering processes in NiAl and Ni3Al induced by collision cascades have been investigated by means of molecular dynamic (MD) computer simulations, It has been shown previously (Spaczer el at. [Phys. Rev. B 52, 7171 (199 ...

1997

It is well established that clusters of both vacancies and self-interstitial atoms (SIAs) are produced in displacement cascades. Ample evidence has also been presented showing that SIAs produced in the form of small dislocation loops may be highly glissile ...

1996