Atomistic Modeling of Radiation Damage in Metallic Alloys

Becquart, Charlotte; Backer, Andrée De; Domain, Christophe

doi:10.1007/978-981-10-6855-3_21-1

Cited by 4 publications

(4 citation statements)

References 97 publications

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“…All metals present a first morphological transition from one single domain to an increasing number of subcascades. The fragmentation energy is obtained by fitting on equation (1). In our study, the parameters differing one material from another are the atomic number, Z, the atomic density, d and the properties included in the energy criterion, E c .…”

Section: Fragmentation Energy Within the Periodic Tablementioning

confidence: 99%

“…When the number of subcascades per PKA becomes larger than 2, the subcascade interaction is possible. For n SC (E) subcascades, the number of pairs is simply 1 2 n SC (E)(n SC (E) − 1). As the number of subcascades is almost proportional to the energy (see equation ( 1)), the total number of interacting subcascades is…”

Section: Subcascade Spatial Correlationmentioning

confidence: 99%

“…In fission and fusion nuclear installations, structural materials are exposed to non-homogeneous ion and or neutron fluxes. One challenging task pursued for more than 60 years [1] is the characterization of the primary damage, i.e. the defects of the microstructure created by the displacement cascades of energy varying from a few tens of eV to MeV in metals including Fe, Zr, W, Be and alloys.…”

Section: Introductionmentioning

confidence: 99%

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A model of defect cluster creation in fragmented cascades in metals based on morphological analysis

Backer

Domain

Becquart

et al. 2018

J. Phys.: Condens. Matter

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The impacts of ions and neutrons in metals cause cascades of atomic collisions that expand and shrink, leaving microstructure defect debris, i.e. interstitial or vacancy clusters or loops of different sizes. In De Backer et al (2016 Europhys. Lett. 115 26001), we described a method to detect the first morphological transition, i.e. the cascade fragmentation in subcascades, and a model of primary damage combining the binary collision approximation and molecular dynamics (MD). In this paper including W, Fe, Be, Zr and 20 other metals, we demonstrate that the fragmentation energy increases with the atomic number and decreases with the atomic density following a unique power law. Above the fragmentation energy, the cascade morphology can be characterized by the cross pair correlation functions of the multitype point pattern formed by the subcascades. We derive the numbers of pairs of subcascades and observed that they follow broken power laws. The energy where the power law breaks indicates the second morphological transition when cascades are formed by branches decorated by chaplets of small subcascades. The subcascade interaction is introduced in our model of primary damage by adding pairwise terms. Using statistics obtained on hundreds of MD cascades in Fe, we demonstrate that the interaction of subcascades increases the proportion of large clusters in the damage created by high energy cascades. Finally, we predict the primary damage of 500 keV Fe ion in Fe and obtain cluster size distributions when large statistics of MD cascades are not feasible.

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Section: Fragmentation Energy Within the Periodic Tablementioning

confidence: 99%

Section: Subcascade Spatial Correlationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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A model of defect cluster creation in fragmented cascades in metals based on morphological analysis

Backer

Domain

Becquart

et al. 2018

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…As KMC modeling of radiation damage involves tracking the location and fate of all defects, impurities and solutes as a function of time to predict microstructural evolution, the starting point in these simulations is often the primary damage state, i.e. the spatially correlated locations of vacancies, selfinterstitials and transmutants produced in displacement cascades (Becquart et al 2018a) (Nordlund et al 2018) resulting from irradiation and obtained from MD [chapter 00018 ] or BCA [chapter 00028] simulations, along with the displacement or damage rate which sets the time scale for defect introduction. The rates of all reaction -diffusion events then control the subsequent evolution or progression in time, and are determined from appropriate activation energies for diffusion and dissociation, as well as the reactions that occur between species are key input, which, as stated previously, are assumed to be known.…”

Section: Methodsmentioning

confidence: 99%