An Assessment of Radiation Damage Models and Methods

Stoller, R.E.; Mansur, L.K.

doi:10.2172/939383

Cited by 14 publications

(6 citation statements)

References 43 publications

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“…Accessible volumes and timescales are the main drawbacks of MD simulations for RPV-related studies. However, it is expected that "in a near future next-generation leadership-class machines make it possible to simulate 10 11 atoms (one micron cube of Fe) for approximately a microsecond" [96].…”

Section: Simulation At the Atomic Scalementioning

confidence: 99%

60th Anniversary of electricity production from light water reactors: Historical review of the contribution of materials science to the safety of the pressure vessel

Duysen

Bellefon

2017

Journal of Nuclear Materials

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The first light water nuclear reactor dedicated to electricity production was commissioned in Shippingport, Pennsylvania in the United States in 1957. Sixty years after the event, it is clear that this type of reactor will be a major source of electricity and one of the key solutions to limit climate change in the 21 st century. This article pays homage to the teams that contributed to this achievement by their involvement in research and development and their determination to push back the frontiers of knowledge. Via a few examples of scientific or technological milestones, it describes the evolution of ideas, models, and techniques during the last 60 years, and gives the current state-of-the-art in areas related to the safety of the reactor pressure vessel. Among other topics, it focuses on vessel manufacturing, steel fracture mechanics analysis, and understanding of irradiation-induced damage.

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Section: Simulation At the Atomic Scalementioning

confidence: 99%

60th Anniversary of electricity production from light water reactors: Historical review of the contribution of materials science to the safety of the pressure vessel

Duysen

Bellefon

2017

Journal of Nuclear Materials

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“…Therefore, this example corresponds well to the formulated problem. Radiation-stimulated processes in such materials have their own specificity, which is important to be taken into account in the case of radiation processing of materials for electronic equipment [2], under the neutron irradiation of reactor materials [3], and so forth. An atom in the crystal lattice shifts, if it obtains an energy higher than the energy of displacement d [4].…”

Section: Introductionmentioning

confidence: 99%

Radiation-Induced Formation of “Heavy” Clusters in Binary Crystals

Mykytenko¹

2016

Ukr. J. Phys.

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Radiation-induced formation of defects in binary crystals with significantly different atomic masses has been studied. The classical molecular dynamics method is used for a modified model that is an alternative for that with pair collisions. A computer program realizing the Verlet algorithm in the framework of the molecular dynamics approach is developed. The results obtained testify to the existence of a certain interval of incident particle energies, at which the so-called "heavy" clusters, i.e. clusters composed of heavier atoms, can be formed.

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“…The distribution of cluster shapes and structures along with the shape properties like diffusivity, stability, etc. can be used as input to higher scale models in a multi-scale radiation damage study.The defects formed during the displacement cascades due to irradiation are the primary source of radiation damage [1,2,3,4,5,6,7]. The defects in metals with body-centered cubic structure are produced in the form of single point defects (interstitials and vacancies) or clusters of such defects.…”

mentioning

confidence: 99%

“…The defects formed during the displacement cascades due to irradiation are the primary source of radiation damage [1,2,3,4,5,6,7]. The defects in metals with body-centered cubic structure are produced in the form of single point defects (interstitials and vacancies) or clusters of such defects.…”

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confidence: 99%

Classification of clusters in collision cascades

Bhardwaj

Sand

Warrier

2020

Computational Materials Science

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The structure of defect clusters formed in a displacement cascade plays a significant role in the microstructural evolution during irradiation. Molecular dynamics simulations have been widely used to study collision cascades and subsequent clustering of defects. We present a novel method to pattern match and classify defect clusters. A cluster is characterized by the geometrical and topological histograms of its angles and distances which can then be used as similarity metrics. The technique is demonstrated by matching similar clusters for different cluster shapes like ring, crowdions etc. in a database of cascade damage configurations in Fe and W at different energies. We further use graph based dimensionality reduction techniques and unsupervised machine learning on the features of all the clusters present in the database to find classes of clusters. The classification successfully separates out many already known categories of clusters such as crowdions, planar crowdion pairs, rings and perpendicular crowdions. The dimensionality and size of different classes provides a broad categorization of classes. The distribution of different classes of shapes among cascades of different elements and energies shows the exclusivity of shapes to elements and energies. We discuss the key points and computational efficiency of the algorithms along with the various prominent results of their application. We discuss the motivation for using machine learning and statistics for the problems and compare different techniques. The algorithms along with the supporting analysis and visualizations give an unsupervised approach for classification and study of defect clusters in cascades. The distribution of cluster shapes and structures along with the shape properties like diffusivity, stability, etc. can be used as input to higher scale models in a multi-scale radiation damage study.The defects formed during the displacement cascades due to irradiation are the primary source of radiation damage [1,2,3,4,5,6,7]. The defects in metals with body-centered cubic structure are produced in the form of single point defects (interstitials and vacancies) or clusters of such defects. The point defects and glissile clusters diffuse after the cascade to either annihilate or form bigger defect clusters. The structural details of primary point defect clusters (formed as a direct consequence of the cascade) define the diffusion, recombination, thermal stability and their other characteristics [2,8,9,10] which in the long term determine the micro-structural changes in the material [11,12,13,14,15]. These properties have an affect on the results of higher scale models like Monte Carlo methods, rate theories etc. [13,14,7,16]. The glissile clusters can move and interact with other defects and grain boundaries whereas the sessile clusters can be nucleation centers for defect-growth. The interaction of these clusters with other defects will decide the micro-structural changes due to irradiation. Classification and taxonomy of all possible clusters in diff...

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An Assessment of Radiation Damage Models and Methods

Cited by 14 publications

References 43 publications

60th Anniversary of electricity production from light water reactors: Historical review of the contribution of materials science to the safety of the pressure vessel

60th Anniversary of electricity production from light water reactors: Historical review of the contribution of materials science to the safety of the pressure vessel

Radiation-Induced Formation of “Heavy” Clusters in Binary Crystals

Classification of clusters in collision cascades

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