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Interplay of dislocation-based plasticity and phase transformation during Si nanoindentation

Zhang, Zhibo ; Stukowski, Alexander ; Urbassek, Herbert M. (2016)
Interplay of dislocation-based plasticity and phase transformation during Si nanoindentation.
In: Computational Materials Science, 119
doi: 10.1016/j.commatsci.2016.03.039
Artikel, Bibliographie

Kurzbeschreibung (Abstract)

Nanoindentation into single-crystalline Si is modeled by molecular dynamics simulation using a modified Tersoff potential. We observe that the high stress produced during indentation leads to three processes occurring consecutively in the substrate: (i) phase transformation of the original cubic diamond (cd) to the bct5 phase; (ii) generation of dislocations; and (iii) amorphization. The bct5 phase develops along {1 1 1} planes of the cd phase; when these meet, the enclosed volume of cd phase transforms to bct5. The particular role played by a stable tetrahedral structure formed by bct5 {1 1 1} planes and {1 1 1} intrinsic stacking faults in the cd structure is highlighted. The phase transformation to bct5 is partially reversed when dislocations nucleate in the cd phase and locally relieve stresses. The generation and reactions of the uncommon dislocations 1/4 〈111〉 and 1/3 〈112〉 are discussed.

Typ des Eintrags: Artikel
Erschienen: 2016
Autor(en): Zhang, Zhibo ; Stukowski, Alexander ; Urbassek, Herbert M.
Art des Eintrags: Bibliographie
Titel: Interplay of dislocation-based plasticity and phase transformation during Si nanoindentation
Sprache: Englisch
Publikationsjahr: 16 April 2016
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Computational Materials Science
Jahrgang/Volume einer Zeitschrift: 119
DOI: 10.1016/j.commatsci.2016.03.039
Kurzbeschreibung (Abstract):

Nanoindentation into single-crystalline Si is modeled by molecular dynamics simulation using a modified Tersoff potential. We observe that the high stress produced during indentation leads to three processes occurring consecutively in the substrate: (i) phase transformation of the original cubic diamond (cd) to the bct5 phase; (ii) generation of dislocations; and (iii) amorphization. The bct5 phase develops along {1 1 1} planes of the cd phase; when these meet, the enclosed volume of cd phase transforms to bct5. The particular role played by a stable tetrahedral structure formed by bct5 {1 1 1} planes and {1 1 1} intrinsic stacking faults in the cd structure is highlighted. The phase transformation to bct5 is partially reversed when dislocations nucleate in the cd phase and locally relieve stresses. The generation and reactions of the uncommon dislocations 1/4 〈111〉 and 1/3 〈112〉 are discussed.

Freie Schlagworte: Atomistic simulation; Silicon;Phase transformation;Dislocations; Stacking faults;Amorphization
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften
Hinterlegungsdatum: 28 Apr 2016 09:35
Letzte Änderung: 17 Mai 2016 07:44
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