Study of cascades damage in Ni by MD with different interatomic potentials
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Molecular dynamics (MD) simulation of displacement cascades in Fe-0.1%He are used to investigate the synergistic effects of primary knock-on atoms (PKA) and He on the irradiation damage production at temperatures between 10 K and 523 K. The results indicat ...
The need to perform large-scale molecular dynamics simulations of radiation defects in ferritic steels has stimulated the recent development of a 'magnetic' interatomic potential for body-centred cubic alpha-iron [1,2]. Here we describe the first applicati ...
Molecular dynamics simulation is one of the most useful methods to model defect generation and subsequent change in mechanical properties in material that will suffer irradiation in the future fusion reactors. This work is aimed at showing the influence of ...
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the none ...
Molecular dynamics (MD) simulations are performed to assess the primary damage due to high-energy neutron irradiation in bcc tungsten. For short-range interactions two different universal potentials are used, while for long-range interactions, two empirica ...
One of the most important problems in the field of nuclear industry is the relationship between irradiation-induced damage and the resulting induced mechanical response of the target metal and in particular ferritic base steels. In this work the molecular ...
Irradiation is known to lead to a degradation of the mechanical properties of materials. This is particularly crucial in the case of materials that will be used in the future thermonuclear fusion reactor, where extremely high irradiation doses are expected ...
Molecular dynamics simulations of displacement cascades in aluminium, aluminium-nickel solid solutions and inhomogeneous samples containing amorphous or crystalline Al3Ni precipitates are performed. It is shown that no segregation occurs inside the displac ...
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 ...
We characterize the transition structure at the Si(100)-SiO2 interface by addressing the inverse ion-scattering problem. We achieve sensitivity to Si displacements at the interface by carrying out ion-scattering measurements in the channeling geometry for ...