Molecular dynamics simulation in single crystal 3C-SiC under nanoindentation: Formation of prismatic loops

Sun, Sha; Peng, Xianghe; Xiang, Henggao; Huang, Cheng; Yang, Bo; Gao, Fang; Fu, Tao

doi:10.1016/j.ceramint.2017.09.003

Cited by 50 publications

(19 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…After the stress reaches the highest point, many dislocations nucleate successively to release the stored elastic potential energy, causing the rapid drop of stress [ 46 ]. The interaction between dislocations, the interaction between dislocations and interface, and the nucleation of new dislocations are the primary mechanism at the flow-stress stage.…”

Section: Resultsmentioning

confidence: 99%

Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface

et al. 2021

Self Cite

View full text Add to dashboard Cite

In crystalline materials, grain boundary and anisotropy of crystal structure affect their mechanical properties. The effects of interfacial structure on the mechanical properties may be diverse when the multilayer film is loaded along different directions. In this work, we performed a series of molecular dynamics simulations of the tension of in-plane single and polycrystalline Cu/Pd multilayered films with cube-on-cube (COC) and twinned interfaces to explore the effects of the interfacial structure, loading direction and in-plane grain boundaries on their mechanical properties. The interfacial misfit dislocation lines become bent after relaxation, and the high temperature of 300 K was found as a necessary condition. When stretched along 〈110〉 direction, the strengthening effect of the COC interface is more noticeable; however, when stretched along 〈112〉 direction, the twin interface's strengthening effect is more visible, showing the anisotropic effect of interfacial structure on mechanical properties. However, in the in-plane honeycomb polycrystalline sample, the twin interface showed a pronounced strengthening effect, and no jogged dislocations were observed.

show abstract

Section: Resultsmentioning

confidence: 99%

Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface

et al. 2021

Self Cite

View full text Add to dashboard Cite

show abstract

“…When the indenter continues to press down, the merged prismatic loop will pinch off from the indentation region, and glide away driven by the indentation induced stress. From the formation process of the prismatic loops under the indented (001) plane of ZnSe, we find that it belongs to the typical "lasso"-like formation mechanism, which can be found under the indentations of bcc metals like Ta [51] and Fe [52,53], as well as other materials such as AlN [25], GaN [25,50], 3C-SiC [54]. In Figure 13, we present the formation process of prismatic loops under the indented (110) plane of ZnSe, which can be depicted by the extended "lasso"-like mechanisms.…”

Section: Formation Mechanisms Of the Prismatic Loopsmentioning

confidence: 94%

Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

Liu

et al. 2021

Nanomaterials

View full text Add to dashboard Cite

Although ZnSe has been widely studied due to its attractive electronic and optoelectronic properties, limited data on its plastic deformations are available. Through molecular dynamics simulations, we have investigated the indentations on the (001), (110), and (111) planes of ZnSe nano films. Our results indicate that the elastic modulus, incipient plasticity, elastic recovery ratio, and the structural evolutions during the indenting process of ZnSe nano films show obvious anisotropy. To analyze the correlation of structural evolution and mechanical responses, the atomic displacement vectors, atomic arrangements, and the dislocations of the indented samples are analyzed. Our simulations revealed that the plastic deformations of the indented ZnSe nano films are dominated by the nucleation and propagation of 1/2<110> type dislocations, and the symmetrically distributed prismatic loops emitted during the indenting process are closely related with the mechanical properties. By studying the evolutions of microstructures, the formation process of the dislocations, as well as the formation mechanisms of the emitted prismatic loops under the indented crystalline planes are discussed. The results presented in this work not only provide an answer for the questions about indentation responses of ZnSe nano films, but also offer insight into its plastic deformation mechanisms.

show abstract

“…It is well-known that phase transformation and the movement of the dislocations in polishing have significant effects on the workpiece surface quality [49,50]. To explore the deformation behaviors of 3C-SiC substrate during the polishing process, we analyze the evolution of the atomic structure and dislocations at different polishing stages, see Fig.…”

Section: The Polishing Processmentioning

confidence: 99%

Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive

Yin

Zhu

et al. 2021

Tribol Lett

View full text Add to dashboard Cite

In the present study, molecular dynamics (MD) simulations are applied to investigate the polishing process of cubic silicon carbide (3C-SiC) with a rotating abrasive. The influence of abrasive rotational speed and rotation axis orientation on the friction characteristics and deformation behaviors of 3C-SiC is studied. The results show that as the rotational speed increases, the normal force first increases until it reaches its maximum at 25 rad/ns and then decreases. The evolution of transverse force with the rotational speed is more complicated and the smallest transverse force and friction coefficient are obtained at the rotational speed of 50 rad/ns. Besides, the transverse force increases while the normal force decreases with the rotation angle when the angular velocity vector of the rotational abrasive is parallel to the substrate surface. The case when the rotational speed is 25 rad/ns and the rotation angle is 0 is a significant critical situation. At the critical situation, we observe the lowest material removal rate, the deepest subsurface damage layer, the biggest high stress region and the smallest high temperature region for all rotational speeds and rotation axis orientations. Moreover, in the simulations, phase transformation (mainly amorphization) induced by high pressure is more pronounced than that by thermal effect. The results gained can shed light on the atomic-scale material removal and deformation mechanisms of 3C-SiC during polishing process.

show abstract

Molecular dynamics simulation in single crystal 3C-SiC under nanoindentation: Formation of prismatic loops

Cited by 50 publications

References 39 publications

Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface

Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface

Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

Atomic Simulations of Deformation Mechanism of 3C-SiC Polishing Process with a Rolling Abrasive

Contact Info

Product

Resources

About