Free Volume Contributing to the Different Yield Behaviors between Tension and Compression Deformations in Metallic Glasses

Wang, Pengwei; Li, Haiyang; Yang, Liang

doi:10.3390/met7100444

Cited by 8 publications

(2 citation statements)

References 44 publications

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“…This study explores the influence of free volume on stress distribution within materials. Increased free volume [ 35 ] allows stress to disperse more uniformly among molecules, reducing localized stress concentration and lowering the likelihood of crack initiation. Free volume acts as a stress buffer, absorbing and dispersing external stresses [ 36 , 37 ].…”

Section: Resultsmentioning

confidence: 99%

Atomistic Construction of Silicon Nitride Ceramic Fiber Molecular Model and Investigation of Its Mechanical Properties Based on Molecular Dynamics Simulations

Hong,

Zhu,

et al. 2023

Materials

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Molecular simulations are currently receiving significant attention for their ability to offer a microscopic perspective that explains macroscopic phenomena. An essential aspect is the accurate characterization of molecular structural parameters and the development of realistic numerical models. This study investigates the surface morphology and elemental distribution of silicon nitride fibers through TEM and EDS, and SEM and EDS analyses. Utilizing a customized molecular dynamics approach, molecular models of amorphous and multi-interface silicon nitride fibers with complex structures were constructed. Tensile simulations were conducted to explore correlations between performance and molecular structural composition. The results demonstrate successful construction of molecular models with amorphous, amorphous–crystalline interface, and mixed crystalline structures. Mechanical property characterization reveal the following findings: (1) The nonuniform and irregular amorphous structure causes stress concentration and crack formation under applied stress. Increased density enhances material strength but leads to higher crack sensitivity. (2) Incorporating a crystalline reinforcement phase without interfacial crosslinking increases free volume and relative tensile strength, improving toughness and reducing crack susceptibility. (3) Crosslinked interfaces effectively enhance load transfer in transitional regions, strengthening the material’s tensile strength, while increased density simultaneously reduces crack propagation.

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Section: Resultsmentioning

confidence: 99%

Atomistic Construction of Silicon Nitride Ceramic Fiber Molecular Model and Investigation of Its Mechanical Properties Based on Molecular Dynamics Simulations

Hong,

Zhu,

et al. 2023

Materials

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“…This total tensile stress caused the rapid swelling of free volumes. This expansion may have increased the possibility to connect or merge separated free volumes [55], leading to the abnormal decrease in density of free volumes despite the increased total free volume. The evolution of free volumes in the center zone was studied.…”

Section: Resultsmentioning

confidence: 99%

Inhomogeneity of Free Volumes in Metallic Glasses under Tension

Wei

Wang

et al. 2018

Materials

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In this work, the deformation of Zr2Cu metallic glass (MG) under uniaxial tensile stress was investigated at the atomic level using a series of synchrotron radiation techniques combined with molecular dynamics simulation. A new approach to the quantitative detection of free volumes in MGs was designed and it was found that free volumes increase in the elastic stage, slowly expand in the yield stage, and finally reach saturation in the plastic stage. In addition, in different regions of the MG model, free volumes exhibited inhomogeneity under stress, in terms of size, density, and distribution. In particular, the expansion of free volumes in the center region was much more rapid than those in the other regions. It is interesting that the density of free volumes in the center region abnormally decreased with strain. It was revealed that the atomic-level stress between different regions may contribute to the inhomogeneity of free volumes under stress. In addition, the inhomogeneous change of free volumes during the deformation was confirmed by the evolution of local atomic shear strains in different regions. The present work provides in-depth insight into the deformation mechanisms of MGs.

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Neutron irradiation-induced rejuvenation in ZrCu metallic glass

Malomo

Wang

2022

J Mater Sci

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Free Volume Contributing to the Different Yield Behaviors between Tension and Compression Deformations in Metallic Glasses

Cited by 8 publications

References 44 publications

Atomistic Construction of Silicon Nitride Ceramic Fiber Molecular Model and Investigation of Its Mechanical Properties Based on Molecular Dynamics Simulations

Atomistic Construction of Silicon Nitride Ceramic Fiber Molecular Model and Investigation of Its Mechanical Properties Based on Molecular Dynamics Simulations

Inhomogeneity of Free Volumes in Metallic Glasses under Tension

Neutron irradiation-induced rejuvenation in ZrCu metallic glass

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