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dc.contributor.author
Luu, Hoang Thien  
dc.contributor.author
Ravelo, Ramón  
dc.contributor.author
Rudolph, Martin  
dc.contributor.author
Bringa, Eduardo Marcial  
dc.contributor.author
Germann, Timothy C.  
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Rafaja, David  
dc.contributor.author
Gunkelmann, Nina  
dc.date.available
2022-09-19T20:24:10Z  
dc.date.issued
2020-07  
dc.identifier.citation
Luu, Hoang Thien; Ravelo, Ramón; Rudolph, Martin; Bringa, Eduardo Marcial; Germann, Timothy C.; et al.; Shock-induced plasticity in nanocrystalline iron: Large-scale molecular dynamics simulations; American Physical Society; Physical Review B; 102; 2; 7-2020  
dc.identifier.issn
2469-9950  
dc.identifier.uri
http://hdl.handle.net/11336/169389  
dc.description.abstract
Large-scale nonequilibrium molecular dynamics (MD) simulations of shock waves in nanocrystalline iron show evidence of plasticity before the polymorphic transformation takes place. The atomistic structure in the shock direction shows an elastic precursor, plastic deformation, and shock-induced phase transformation from bcc to hcp iron. In this Rapid Communication, large-scale MD models show that the shock response of iron is highly related to the ramp time of the applied shocks. For long ramp times we observe significant plastic relaxation and formation of microstructure defects. Pressure-induced phase transformations in iron are accompanied by stress relaxation achieving almost fully relaxed three-dimensional hydrostatic final states. The evolution of the stress relaxation is in agreement with theory and experiments. Analysis of the x-ray diffraction patterns calculated from the atomistic structure using the Debye equation revealed pronounced anisotropy of the line broadening that is caused by stacking faults in hcp Fe and by dislocations in bcc Fe.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Physical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/  
dc.subject
MOLECULAR DYNAMICS  
dc.subject
SHOCKS  
dc.subject
IRON  
dc.subject.classification
Física de los Materiales Condensados  
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Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Shock-induced plasticity in nanocrystalline iron: Large-scale molecular dynamics simulations  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2022-09-13T17:21:49Z  
dc.identifier.eissn
2469-9969  
dc.journal.volume
102  
dc.journal.number
2  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Luu, Hoang Thien. Clausthal University of Applied Technology; Alemania  
dc.description.fil
Fil: Ravelo, Ramón. University of Texas at El Paso; Estados Unidos  
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Fil: Rudolph, Martin. TU Bergakademie Freiberg; Alemania  
dc.description.fil
Fil: Bringa, Eduardo Marcial. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Germann, Timothy C.. Los Alamos National High Magnetic Field Laboratory; Estados Unidos  
dc.description.fil
Fil: Rafaja, David. TU Bergakademie Freiberg; Alemania  
dc.description.fil
Fil: Gunkelmann, Nina. Clausthal University of Applied Technology; Alemania  
dc.journal.title
Physical Review B  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.102.020102  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.020102