Structural and mechanical behaviors of Mg-Al metallic glasses investigated by molecular dynamics simulations

Samiri, A.; Khmich, A.; Haouas, H.; Hassani,; Hasnaoui, A.

doi:10.1016/j.commatsci.2020.109895

Cited by 38 publications

(11 citation statements)

References 37 publications

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“…As seen in the figure, the yield stress decreases slightly with Mg increased. These results agree well with those of Samiri et al [45] and Kumar et al [46] on the mechanical properties of Al-Mg alloys. The reason for the phenomenon opposite to macroscopic solid solution strengthening may be the transition from plastic deformation dominated by dislocation slippage at macroscopic quasi-static low strain rates to dislocation nucleation dominated failure mechanism at microscopic extreme high rates, [31] which was reported by Nitol et al [31] In dislocation-starved nanoporous alloys, the distortion of the host lattice by solute atoms can retard dislocation glide, but aid dislocation nucleation.…”

Section: Effect Of Mg Contents On Mechanical Propertiessupporting

confidence: 93%

Effect of void size and Mg contents on plastic deformation behaviors of Al–Mg alloy with pre-existing void: Molecular dynamics study

Wei

Shi

et al. 2022

Chinese Phys. B

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The plastic deformation properties of cylindrical pre-void Aluminum-Magnesium (Al-Mg) alloy under uniaxial tension are explored using molecular dynamics simulations with embedded atom method (EAM) potential. The factors of Mg content, void size, and temperature are considered. The results show that the void fraction decreases with increasing Mg in the plastic deformation, and it is almost independent of Mg content when Mg is beyond 5%. Both Mg contents and stacking faults around the void affect the void growth. These phenomena are explained by the dislocation density of the sample and stacking faults distribution around the void. The variation trends of yield stress caused by void size are in good agreement with Lubarda model. Moreover, temperature effects are explored, the yield stress and Young's modulus obviously decrease with temperature. Our results may enrich and facilitate the understanding of the plastic mechanism of Al-Mg with defects or other alloys.

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Section: Effect Of Mg Contents On Mechanical Propertiessupporting

confidence: 93%

Effect of void size and Mg contents on plastic deformation behaviors of Al–Mg alloy with pre-existing void: Molecular dynamics study

Wei

Shi

et al. 2022

Chinese Phys. B

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“…Regarding the MGs, it was also found that the strain rate in the range of 10 9 s −1 -10 10 s −1 led to the sharp increment of ultimate strength in the amorphous system. 35 In another study, Yue et al 36 reported that the strain rate of 5 × 10 7 s −1 is suitable for the appearance of order-disorder transformation in the microstructure of amorphous alloys under tensile loading. Hence, it is believed that the strain rate of 2 × 10 7 s −1 in our work can show the structural evolution and atomic rearrangements in the samples.…”

Section: Resultsmentioning

confidence: 99%

The effects of alloying composition on plasticity and strength of notched metallic glasses

Jasim

ISMAILOV

Opulencia

et al. 2022

Proceedings of the Institution of Mechanical Engineers, Part L:

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Using notch geometry in the metallic glass (MG) samples, it is possible to improve the homogeneous plasticity and mechanical properties. In this work, the molecular dynamics (MD) simulation was performed to indicate how the alloying composition of MGs can tune the mechanical properties of notched samples. For this purpose, CuZr MGs were constructed through atomic-scale simulation with alloying compositions of Cu64Zr36, Cu60Zr40, Cu54Zr46, and Cu50Zr50, while a symmetrical surface notch was produced at the waistline of samples by removing certain atoms and relaxing the new free surfaces. The tensile loading was also carried out to characterize the plastic deformation and strength in the CuZr MGs. According to the results, Cu64Zr36 and Cu60Zr40 alloys exhibited a localized plastic deformation in the notch region, while the decrease in Cu content, i.e. Cu54Zr46, led to the generation of nanoscale shear events outside the notch region and extended the deformation area in the body of the sample. The results also indicated that the change in the mechanism of plastic deformation in the notched samples strongly depended on the type and population of polyhedrons rearranged in the backbone structure. Moreover, it was found that the Voronoi volume in the Cu54Zr46 alloy exhibited a gentle increment under the tensile loading in both the notched and un-notched regions, while the Cu-rich MGs, i.e. Cu64Zr36 and Cu60Zr40, showed a sudden increment of Voronoi volume at the center of the notch region, which was indicative of strain localization in the atomic system.

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“…Erime sıcaklığını belirlemek amacıyla model Fe sisteminin sıcaklık değeri 300 K den 2200 K e 100 K aralıklarla arttırıldı. Her sıcaklık değerinde 5x10 4 integresyon adımı beklenilerek sistemin dengeye ulaşması sağlandı. Erime sıcaklığının daha hassas belirlenmesi amacı ile 1700 K den sonra sıcaklık artışı 50 K aralıklarla gerçekleştirildi.…”

Section: Bulgular Ve Tartişmaunclassified

“…Bir malzemenin sıvı fazdan farklı hızlarda soğutulması onun farklı yapılarda olmasında önemli bir rol oynar. Metal erime sıcaklığından düşük sıcaklık bölgesine soğutulduğunda, soğutma hızına bağlı olarak ya kristal ya da amorf yapıda olabilir [1][2][3][4]. Eğer sıvı fazdan soğutma hızı kritik soğutma hızından yeteri kadar büyük (10 6 -10 12 K/s) ise kristal fazın homojen çekirdeklenmesi önlenebilir ve yarı kararlı amorf yapı oluşur [5,6].…”

unclassified

Fe Elementinin Kristal ve Camsı Faza Dönüşümünün Hidrostatik Basınç Altında İncelenmesi: Moleküler Dinamik Benzetim Çalışması

Canbay

Kazanç

2021

Bilecik Şeyh Edebali Üniversitesi Fen Bilimleri Dergisi

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Bu çalışmada moleküler dinamik benzetim yöntemi ile 4000 atomdan oluşan sıvı Fe model sistemi 0 GPa, 5 GPa,7 GPa basınç değerleri altında 1x10 12 K/s ve 1x10 13 K/s soğutma hızları ile soğutularak kristal ve camsı geçiş sıcaklıklarının yapı içerisinde oluşturdukları farklı birim hücreli atomik kümelenmeler belirlenmeye çalışıldı. Atomlar arası etkileşmelerin hesaplanmasında çok cisim etkileşmelerini temel alan Gömülmüş Atom Metodu kullanıldı. Basınç artışının, sıvı fazdan soğutulan Fe deki kristal ve amorf yapıların oluşumuna ve bu yapılara geçiş sıcaklıkları üzerinde etkili olduğu görüldü. Kristal ve amorf faza geçiş (Tg) sıcaklıklarının belirlenmesi için birim atom başına bağlanma enerjisi ve Wendt-Abraham parametresinden yararlanıldı. Ayrıca sıvı fazdan katılaşma esnasında Fe model sistemde oluşan farklı birim hücre yapılarının yüzdesi Ackland-Jones analiz yöntemi kullanılarak belirlendi.

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Structural and mechanical behaviors of Mg-Al metallic glasses investigated by molecular dynamics simulations

Cited by 38 publications

References 37 publications

Effect of void size and Mg contents on plastic deformation behaviors of Al–Mg alloy with pre-existing void: Molecular dynamics study

Effect of void size and Mg contents on plastic deformation behaviors of Al–Mg alloy with pre-existing void: Molecular dynamics study

The effects of alloying composition on plasticity and strength of notched metallic glasses

Fe Elementinin Kristal ve Camsı Faza Dönüşümünün Hidrostatik Basınç Altında İncelenmesi: Moleküler Dinamik Benzetim Çalışması

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