Atomistic modeling of different loading paths in single crystal copper and aluminum
Utilizing molecular dynamics (MD) integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Met...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Gruppo Italiano Frattura
2016-10-01
|
| Series: | Fracture and Structural Integrity |
| Subjects: | |
| Online Access: | http://www.gruppofrattura.it/pdf/rivista/numero38/numero_38_art_26.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850089067302092800 |
|---|---|
| author | R. Pezer I. Trapić |
| author_facet | R. Pezer I. Trapić |
| author_sort | R. Pezer |
| collection | DOAJ |
| description | Utilizing molecular dynamics (MD) integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Method (EAM) potentials. MD simulation gives us the detailed information about non-equilibrium dynamics including crystal structure defects, vacancies and dislocations. In particular, we have obtained result that indicate increase in the total energy of the crystal during loading (especially cyclic) that provides us direct quantitative evidence of the metal weakening. For the basic response, we have deformed copper and aluminum single crystal according to the simple loading path and a series of multiaxial loading-paths including cyclic repetition. We compute equivalent stress-strain diagrams as well as dislocation total length vs time graphs to describe signatures of the anisotropic response of the crystal |
| format | Article |
| id | doaj-art-ec4ef2d3782b4218b321b2f569ee6fcf |
| institution | DOAJ |
| issn | 1971-8993 1971-8993 |
| language | English |
| publishDate | 2016-10-01 |
| publisher | Gruppo Italiano Frattura |
| record_format | Article |
| series | Fracture and Structural Integrity |
| spelling | doaj-art-ec4ef2d3782b4218b321b2f569ee6fcf2025-08-20T02:42:52ZengGruppo Italiano FratturaFracture and Structural Integrity1971-89931971-89932016-10-01103819119710.3221/IGF-ESIS.38.26 Atomistic modeling of different loading paths in single crystal copper and aluminumR. Pezer 0I. Trapić 1University of Zagreb,CroatiaUniversity of Zagreb,CroatiaUtilizing molecular dynamics (MD) integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Method (EAM) potentials. MD simulation gives us the detailed information about non-equilibrium dynamics including crystal structure defects, vacancies and dislocations. In particular, we have obtained result that indicate increase in the total energy of the crystal during loading (especially cyclic) that provides us direct quantitative evidence of the metal weakening. For the basic response, we have deformed copper and aluminum single crystal according to the simple loading path and a series of multiaxial loading-paths including cyclic repetition. We compute equivalent stress-strain diagrams as well as dislocation total length vs time graphs to describe signatures of the anisotropic response of the crystalhttp://www.gruppofrattura.it/pdf/rivista/numero38/numero_38_art_26.pdfMolecular dynamicsFatigueMultiaxialCopperAluminumLAMMPS |
| spellingShingle | R. Pezer I. Trapić Atomistic modeling of different loading paths in single crystal copper and aluminum Fracture and Structural Integrity Molecular dynamics Fatigue Multiaxial Copper Aluminum LAMMPS |
| title | Atomistic modeling of different loading paths in single crystal copper and aluminum |
| title_full | Atomistic modeling of different loading paths in single crystal copper and aluminum |
| title_fullStr | Atomistic modeling of different loading paths in single crystal copper and aluminum |
| title_full_unstemmed | Atomistic modeling of different loading paths in single crystal copper and aluminum |
| title_short | Atomistic modeling of different loading paths in single crystal copper and aluminum |
| title_sort | atomistic modeling of different loading paths in single crystal copper and aluminum |
| topic | Molecular dynamics Fatigue Multiaxial Copper Aluminum LAMMPS |
| url | http://www.gruppofrattura.it/pdf/rivista/numero38/numero_38_art_26.pdf |
| work_keys_str_mv | AT rpezer atomisticmodelingofdifferentloadingpathsinsinglecrystalcopperandaluminum AT itrapic atomisticmodelingofdifferentloadingpathsinsinglecrystalcopperandaluminum |