Enhancement of mechanical properties of metallic glass nanolaminates via martensitic transformation: Atomistic deformation mechanism

Amigó, Nicolás; Sepúlveda-Macías, Matías; Gutiérrez, Gonzalo

doi:10.1016/j.matchemphys.2018.12.050

Cited by 24 publications

(3 citation statements)

References 37 publications

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“…All in all, the K-means algorithm in conjunction with the per-atom potential energy, von Mises stress and atomic volume, have the potential to be applied in the structure identification of more complex systems. For example, it could be eventually employed to identify the local structure of impurities [36,37], martensitic transformation [38,39], amorphous structures [40,41], voids [42,43], among others.…”

Section: Discussionmentioning

confidence: 99%

Crystalline structure and grain boundary identification in nanocrystalline aluminum using K-means clustering

Amigó

2020

Modelling Simul. Mater. Sci. Eng.

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K-means clustering was carried out to identify the atomic structure of nanocrystalline aluminum. For this purpose, per-atom physical quantities were calculated by means of molecular dynamics simulations, such as the potential energy, stress components, and atomic volume. Statistical analysis revealed that potential energy, atomic volume and von Mises stress were relevant parameters to distinguish between fcc atoms and grain boundary atoms. These three parameters were employed with the K-means algorithm to establish two clusters, one corresponding to fcc atoms and another to GB atoms. When comparing the K-means classification performance with that of CNA, an F-1 score of 0.969 and a Matthews correlation coefficient of 0.859 were achieved. This approach differs from other traditional methods in that the quantities employed here do not require input settings such as the number of nearest neighbor nor a cut-off value. Therefore, K-means clustering could be eventually used to inspect the atomic structure in more complex systems.

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Section: Discussionmentioning

confidence: 99%

Crystalline structure and grain boundary identification in nanocrystalline aluminum using K-means clustering

Amigó

2020

Modelling Simul. Mater. Sci. Eng.

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“…All these reports paved the way for more complex studies during the following decade. Some examples include shock wave loading [76,77], crystalline-amorphous nanocomposites [78], shape memory alloy reinforced composites [57,79], and structural heterogeneities for tuning the plastic behavior [80]. An estimation of the number of times that each alloy has been explored in the literature can be obtained from direct inspection of the abstracts.…”

Section: Research Trendsmentioning

confidence: 99%

Research on metallic glasses at the atomic scale: a systematic review

Amigó

Cortés²,

Valencia

2022

SN Appl. Sci.

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Metallic glasses (MGs) have been long investigated in material science to understand the origin of their remarkable properties. With the help of computational simulations, researchers have delved into structure-property relationships, leading to a large number of reports. To quantify the available literature, we employed systematic review and bibliometric analysis on studies related to MGs and classical molecular dynamics simulations from 2000 to 2021. It was found that the total number of articles has increased remarkably, with China and the USA producing more than half of the reports. However, high-impact articles were mainly conducted in the latter. Collaboration networks revealed that top contributor authors are strongly connected with other researchers, which emphasizes the relevance of scientific cooperation. In regard to the evolution of research topics, according to article keywords, plastic behavior has been a recurrent subject since the early 2000s. Nevertheless, the traditional approach of studying monolithic MGs at the short-range order evolved to complex composites with characterizations at the medium-range order, including topics such as nanoglasses, amorphous/crystalline nanolaminates, rejuvenation, among others. As a whole, these findings provide researchers with an overview of past and current trends of research areas, as well as some of the leading authors, productivity statistics, and collaboration networks.

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“…Nevertheless, the absence of tensile ductility poses a limitation to amorphous metallic alloys, resulting in the catastrophic failure of most MGs under uniaxial tension. Several methods, such as nanoglasses 8 , 9 , inclusion of crystalline phases 10 , 11 , and, more recently, thermal and/or mechanical treatments to rejuvenate the samples, have been suggested to counteract this limitation 5 .…”

Section: Introductionmentioning

confidence: 99%

A molecular dynamics study on the mechanical response of thermal-pressure rejuvenated CuxZr100−x metallic glasses

Sayad,

Khanzadeh,

Alahyarizadeh

et al. 2023

Sci Rep

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A molecular dynamics study was performed on the mechanical response of thermal-pressure rejuvenated CuxZr100−x metallic glasses. The effect of temperature (50, 300, 600 K) and pressure (0–50 GPa) on the rejuvenation process and the mechanical properties of CuxZr100−x including stress–strain response, shear localization formation and elastic modulus were investigated. The thermal-pressure rejuvenation process involves transitioning the system to a higher potential energy state and a lower atomic volume, demonstrating the significant influence of pressure on rejuvenation. Our findings reveal that increasing pressure at specific temperatures and material compositions results in reduced yield stress and stress drop. They also indicate that with increasing pressure, the system undergoes a transition towards homogeneity, resulting in enhanced ductility compared to its initial amorphous state. Additionally, high temperatures contribute to lower values of Young's, shear, and bulk moduli, as well as decreased yield stress and stress drop. Consequently, the system becomes more homogeneous, promoting rejuvenation. Furthermore, we observed that the final yield strength of the system increases with higher Cu content for all structures at specific pressures and temperatures. The level of rejuvenation is additionally impacted by the amount of Cu, and structures containing varying content of Cu demonstrate varying degrees of rejuvenation. To validate our findings, we utilized Voronoi analysis, which revealed a higher fraction of densely-packed clusters in the samples. Finally, a total of 10 materials properties were calculated and explored using statistical analysis which shows there are different correlations between pressure, temperature and atomic composition with mechanical properties.

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Enhancement of mechanical properties of metallic glass nanolaminates via martensitic transformation: Atomistic deformation mechanism

Cited by 24 publications

References 37 publications

Crystalline structure and grain boundary identification in nanocrystalline aluminum using K-means clustering

Crystalline structure and grain boundary identification in nanocrystalline aluminum using K-means clustering

Research on metallic glasses at the atomic scale: a systematic review

A molecular dynamics study on the mechanical response of thermal-pressure rejuvenated CuxZr100−x metallic glasses

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