Crowdion in Deformed FCC Metal. Atomistic Modeling

2021 ◽  
Vol 122 (12) ◽  
pp. 1207-1212
Author(s):  
S. A. Starikov ◽  
A. R. Kuznetsov ◽  
V. V. Sagaradze
Keyword(s):  
Author(s):  
Wilfried Sigle ◽  
Matthias Hohenstein ◽  
Alfred Seeger

Prolonged electron irradiation of metals at elevated temperatures usually leads to the formation of large interstitial-type dislocation loops. The growth rate of the loops is proportional to the total cross-section for atom displacement,which is implicitly connected with the threshold energy for atom displacement, Ed . Thus, by measuring the growth rate as a function of the electron energy and the orientation of the specimen with respect to the electron beam, the anisotropy of Ed can be determined rather precisely. We have performed such experiments in situ in high-voltage electron microscopes on Ag and Au at 473K as a function of the orientation and on Au as a function of temperature at several fixed orientations.Whereas in Ag minima of Ed are found close to <100>,<110>, and <210> (13-18eV), (Fig.1) atom displacement in Au requires least energy along <100>(15-19eV) (Fig.2). Au is thus the first fcc metal in which the absolute minimum of the threshold energy has been established not to lie in or close to the <110> direction.


Author(s):  
Jingming Shi ◽  
Emiliano Fonda ◽  
Silvana Botti ◽  
Miguel A. L. Marques ◽  
Toru Shinmei ◽  
...  

Metallization and dissociation are key transformations in diatomic molecules at high densities particularly significant for modeling giant planets. Using X-ray absorption spectroscopy and atomistic modeling, we demonstrate that in halogens,...


MRS Bulletin ◽  
2006 ◽  
Vol 31 (5) ◽  
pp. 410-418 ◽  
Author(s):  
Angelo Bongiorno ◽  
Clemens J. Först ◽  
Rajiv K. Kalia ◽  
Ju Li ◽  
Jochen Marschall ◽  
...  

AbstractThe broader context of this discussion, based on a workshop where materials technologists and computational scientists engaged in a dialogue, is an awareness that modeling and simulation techniques and computational capabilities may have matured sufficiently to provide heretofore unavailable insights into the complex microstructural evolution of materials in extreme environments.As an example, this article examines the study of ultrahigh-temperature oxidation-resistant ceramics, through the combination of atomistic simulation and selected experiments.We describe a strategy to investigate oxygen transport through a multi-oxide scale—the protective layer of ultrahigh-temperature ceramic composites ZrB2-SiC and HfB2-SiC—by combining first-principles and atomistic modeling and simulation with selected experiments.


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