Bi-materials in submicron scale have been widely used in many industries, especially in the microelectronics industry. Due to the different deformation between the two material layers, damage usually occurs on the surface between the two material layers. In this paper, the Molecular dynamics (MD) method is used to investigate the mechanical properties of bi-material Ni/Al under the tensile strain. The examined Ni/Al structure has dimensions of 10.90 nm x 5.27 nm x 4.22 nm/10.93 nm x 5.26 nm x 4.21 nm, with strain rates of 1.83x108s-1, 5.48x108s-1, 1.83x109s-1 and 5.48x109s-1, respectively. The interactions between the atoms in the system are described by the EAM (Embedded Atom Method). The calculated results show that Young's modulus of bi-material Ni/Al does not change under the various strain rates, while the fracture strength of Ni/Al increases with increasing of the strain rates. In addition, the effects of load position and temperature on the fracture strength of Ni/Al are also investigated. With the strain rate of 1.83x108 s-1, the fracture strength of Ni/Al at 100oK and 700oK is 6.6 GPa and 4.3 GPa, respectively. The obtained results of the study are helpful in the design and fabrication of devices based on the bi-material Ni/Al.
This study uses first-principles calculations to investigate the mechanical properties and effect of strain on the electronic properties of the 2D material 1H-PbX 2 (X: S, Se). Firstly, the stability of the 1H Pb-dichalcogenide structures was evaluated using Born's criteria. The obtained results show that the 1H-PbS 2 material possesses the greatest ideal strength of 3.48 N/m, with 3.68 N/m for 1H-PbSe 2 in biaxial strain. In addition, 1H-PbS 2 and 1H-PbSe 2 are direct semiconductors at equilibrium with band gaps of 2.30 eV and 1.90 eV, respectively. The band gap was investigated and remained almost unchanged under the strain ε xx but altered significantly at strains ε yy and ε bia . At the fracture strain in the biaxial direction (19 %), the band gap of 1H-PbS 2 decreases about 60 %, and that of 1H-PbSe 2 decreases about 50 %. 1H-PbS 2 and 1H-PbSe 2 can convert from direct to indirect semiconductor under the strain ε yy . Our findings reveal that the two structures have significant potential for application in nanoelectronic devices.
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