Metals owe their unique mechanical properties to how defects emerge and propagate within their crystal structure under stress. However, the mechanisms leading from the early emerging (local) defects to the amplification of dislocations (collective plastic events) are not easy to track. Here, using tensile-stress atomistic simulations of a copper lattice as a case study, we revisit this classical problem under a new perspective based on local dynamics rather than on purely structural arguments. We use a data-driven approach that allows tracking how local fluctuations emerge and accumulate in the atomic lattice in space and time, anticipating/determining the emergence of local or collective structural defects during deformation. Building solely on the general concepts of local fluctuations and spatiotemporal fluctuation correlations, this approach allows characterizing in a unique way the evolution through the elastic, plastic, and fracture phases, describing metals as complex systems where collective phenomena originate from local dynamical triggering events.
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Unsupervised tracking of local and collective defects dynamics in metals under deformation
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14 June 2025
Research Article|
June 05 2025
Unsupervised tracking of local and collective defects dynamics in metals under deformation
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Mattia Perrone
;
Mattia Perrone
(Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
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Matteo Cioni
;
Matteo Cioni
(Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
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Massimo Delle Piane
;
Massimo Delle Piane
(Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
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Giovanni M. Pavan
Giovanni M. Pavan
a)
(Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing)
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
a)Author to whom correspondence should be addressed: [email protected]
Search for other works by this author on:
Mattia Perrone
Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
Matteo Cioni
Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
Massimo Delle Piane
Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
Giovanni M. Pavan
Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing
a)
Department of Applied Science and Technology, Politecnico di Torino
, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
a)Author to whom correspondence should be addressed: [email protected]
J. Chem. Phys. 162, 214507 (2025)
Article history
Received:
February 13 2025
Accepted:
May 01 2025
Citation
Mattia Perrone, Matteo Cioni, Massimo Delle Piane, Giovanni M. Pavan; Unsupervised tracking of local and collective defects dynamics in metals under deformation. J. Chem. Phys. 14 June 2025; 162 (21): 214507. https://doi.org/10.1063/5.0265378
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