Investigation of mechanical behaviour of amorphous aluminium nitride

Zhao, Yinbo; Peng, Xianghe; Fu, Tao; Huang, Cheng; Xiang, Henggao; Hu, Ning; Chen, Yan

doi:10.1016/j.mtla.2018.07.011

Cited by 26 publications

(14 citation statements)

References 58 publications

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“…Systematic simulations are performed with the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [30], which is open code and has the functions required for this research. The atomic interactions within the Al-N are modelled with the Vashishta potential [31], which has been widely used to investigate the deformation mechanism of AlN under different kinds of loading conditions [13,29,32,33]. The integration time step of 1 fs is adopted in all the simulations.…”

Section: Methodsmentioning

confidence: 99%

“…The integration time step of 1 fs is adopted in all the simulations. First, to construct an amorphous AlN unit, a crystal unit (w-AlN) with the size of 49.76 ( x ) × 48.47 ( y ) × 49.80 ( z ) Å 3 is built at first, then it is melted at 3500 K for 500 ps and cooled down to 10 K at a rate of 2 × 10 14 K/s, at zero external pressure (NPT) ensemble with periodic boundary conditions (PBCs) applied in all dimensions [13]. Second, ng-AlN is constructed with the Voronoi tessellation method [34] using the “seeds” randomly distributed in the sample with the amorphous AlN unit as a source.…”

Section: Methodsmentioning

confidence: 99%

“…They are relaxed in isothermal-isobaric (NPT) ensemble by a Nose-Hoover thermostat at 10 K for 200 ps to release the residual stress with the PBCs applied to the three directions. For comparison, the amorphous AlN (a-AlN) is also generated by replication of the a-AlN unit [13], as mentioned above, with the same size of ng-AlN as illustrated in Figure 1a. It is then relaxed in an NPT ensemble for 200 ps at 10 K as well.…”

Section: Methodsmentioning

confidence: 99%

“…Besides, at high pressure, metal oxides with an amorphous structure could undergo severe plastic deformation at moderate temperatures [10,11,12]. Zhao et al [13] further investigated the deformation mechanism in amorphous AlN (a-AlN), and found that, compared with its crystalline counterpart, the enhanced ductility of a-AlN can be attributed to the self-repairing mechanism.…”

Section: Introductionmentioning

confidence: 99%

“…Molecular dynamics simulation (MD) can serve as an effective means to gain an insight into the microstructure in NG ceramics and their evolution during deformation. MD simulation has been widely adopted to investigate different kinds of mechanical response of various atomic structures, such as dislocations [25,26], nano-twin boundaries [27,28], and shear bands [13,29], etc. with the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) algorithm [30].…”

Section: Introductionmentioning

confidence: 99%

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Super Ductility of Nanoglass Aluminium Nitride

et al. 2019

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Ceramics have been widely used in many fields because of their distinctive properties, however, brittle fracture usually limits their application. To solve this problem, nanoglass ceramics were developed. In this article, we numerically investigated the mechanical properties of nanoglass aluminium nitride (ng-AlN) with different glassy grain sizes under tension using molecular dynamics simulations. It was found that ng-AlN exhibits super ductility and tends to deform uniformly without the formation of voids as the glassy grain size decreases to about 1 nm, which was attributed to a large number of uniformly distributed shear transformation zones (STZs). We further investigated the effects of temperature and strain rate on ng-AlNd = 1 nm, which showed that temperature insignificantly influences the elastic modulus, while the dependence of the ultimate strength on temperature follows the T2/3 scaling law. Meanwhile, the ultimate strength of ng-AlNd = 1 nm is positively correlated with the strain rate, following a power function relationship.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Super Ductility of Nanoglass Aluminium Nitride

et al. 2019

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Molecular Dynamics Simulations of Structural and Mechanical Properties in MgSiO₃ Glass

Nguyen

Nguyen²,

Dinh

et al. 2019

Physica Status Solidi (b)

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Molecular dynamics simulations of MgSiO3 glass have been carried out to study the structural and mechanical properties under uniaxial tension. The network structure consists of SiOx and MgOy units which link to others by corner‐, edge‐, and face‐sharing bonds. The Si‐rich and Mg‐rich regions exist in MgSiO3 glass. The stress–strain curves exhibit the elastic and plastic characteristics at the various strain rates. The transformations of SiOx and MgOy units occur with increasing strain, at which the corner‐, edge‐ and face‐sharing bonds among SiOx and MgOy units change. The Si‐rich and Mg‐rich regions increase with increasing strain. Not only the Mg–O bond length is easier to stretch than the Si–O bond length but also the O–Mg–O bond angle of MgOy units is easier to vary than that of SiOx units with the strain. The porosity is analyzed via the voids. The voids gather into the clusters of voids. The radii of voids increase with increasing strain. The number of big Mg‐voids increases under the tension and these voids coalesce to form large pores. These large pores do not coalesce to cause the fractured free surfaces. The formation of shear band was observed at the strain of 0.82.

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