Anisotropy effects in diamond under nanoindentation

Huang, Cheng; Peng, Xianghe; Yang, Bo; Xiang, Henggao; Sun, Sha; Chen, Xiang; Li, Qibin; Yin, Deqiang; Fu, Tao

doi:10.1016/j.carbon.2018.02.066

Cited by 56 publications

(27 citation statements)

References 57 publications

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“…A spherical rigid indenter with a diameter of 12.0 nm was initially positioned above the top surface of the ZnSe substrate. To describe the interaction between the indenter and the ZnSe substrate, Kelchner's theoretical model was employed, which has been widely used in the nanoindentation simulations of different material systems [27][28][29][31][32][33][34]]. Kelchner's theoretical model introduces a repulsive potential to simulate the frictionless contact between the indenter and the indented materials [35].…”

Section: Methodsmentioning

confidence: 99%

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

Liu

et al. 2021

Nanomaterials

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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.

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Section: Methodsmentioning

confidence: 99%

“…Fortunately, molecular dynamics (MD) simulation of nanoindentation can make up for the shortcomings of experimental technology. MD simulations have been widely used to investigate the nanoindentations of materials [25][26][27][28][29][30][31][32]. It can achieve the mechanical properties of materials.…”

Section: Introductionmentioning

confidence: 99%

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

Liu

et al. 2021

Nanomaterials

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“…However, the nanopore structure in MOF is too small; it is difficult to study the adsorption and energy storage mechanism of organic materials in MOF by conventional experiments. Nowadays, with the rapid development of computational technology, modeling methods [13][14][15], e.g., molecular simulations [16][17][18][19], have been widely used in many fields. Its advantage is that it is not restricted by experimental conditions and can reveal the insights of macroscopical phenomena by studying the mechanism of material action.…”

Section: Introductionmentioning

confidence: 99%

Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

Wang

Tang

Tian

et al. 2019

Journal of Nanomaterials

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In the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual transformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of circulating working medium. In this study, the adsorption, thermal energy storage, and mean square displacement of the minimum energy adsorption configuration of R1234ze in UIO-66 were studied by molecular simulations, including molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. The results show that the thermal energy storage density of R1234ze/UIO-66 mixed working medium is significantly higher than that of pure working medium in the temperature range of 20 K-140 K. However, the increase rate of thermal energy storage density decreases significantly as temperature rises, and the mean square displacement and diffusion coefficient increase with increasing temperature.

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“…Diamond and zinc blende structured materials are the important members in the family of superhard materials, among which diamond and cubic boron nitride (cBN) are the most prominent representatives. These strong covalent bond solids are indispensable to fundamental scientific research and technological applications in many fields [1,2,3,4,5,6,7,8]. With the development of synthesis technology at nanoscale, more and more attention has been paid to nanocrystalline (NC) superhard materials as well as their outstanding mechanical properties [9,10,11,12,13].…”

Section: Introductionmentioning

confidence: 99%

Detwinning Mechanism for Nanotwinned Cubic Boron Nitride with Unprecedented Strength: A First-Principles Study

et al. 2019

Self Cite

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Synthesized nanotwinned cubic boron nitride (nt-cBN) and nanotwinned diamond (nt-diamond) exhibit extremely high hardness and excellent stability, in which nanotwinned structure plays a crucial role. Here we reveal by first-principles calculations a strengthening mechanism of detwinning, which is induced by partial slip on a glide-set plane. We found that continuous partial slip in the nanotwinned structure under large shear strain can effectively delay the structural graphitization and promote the phase transition from twin structure to cubic structure, which helps to increase the maximum strain range and peak stress. Moreover, ab initio molecular dynamics simulation reveals a stabilization mechanism for nanotwin. These results can help us to understand the unprecedented strength and stability arising from the twin boundaries.

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Anisotropy effects in diamond under nanoindentation

Cited by 56 publications

References 57 publications

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

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

Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

Detwinning Mechanism for Nanotwinned Cubic Boron Nitride with Unprecedented Strength: A First-Principles Study

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