Molecular Dynamic Simulation of Effect of Crystallographic Orientation on Nano-Indentation/Scratching Behaviors of BCC Iron

Lu, Cheng; Gao, Yuan; Michal, Guillaume; Zhu, Hongtao; Huynh, Nam N; Tieu, A. Kiet

doi:10.1007/978-3-642-03653-8_181

Cited by 7 publications

(10 citation statements)

References 5 publications

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“…Hagelaar et al [26] characterize the formation and destruction of nanoindentation contacts of a W tip in W. Biener et al [27] investigate defect nucleation under nanoindentation in Ta; this work is continued by Alcalá et al [28] who focus on dislocation and planar-defect formation. Lu et al [4] show that simulated nanoindentation results in Fe are in good agreement with experimental data. Mulliah et al [7] discuss in detail friction coefficients obtained for nanoscratching an Fe surface and find a strong depth dependence.…”

Section: Introductionmentioning

confidence: 66%

“…It immediately provides information on the elastic properties of the substrate and on its hardness. Nowadays computer simulation based on the molecular-dynamics method is able to provide detailed information on the processes occurring under nanoindentation; when applied to single crystals, it gives results in good agreement with experiment [3,4]. In addition, due to the versatility of computer simulation, the influence of materials properties on the indentation can readily be investigated [5,6].…”

Section: Introductionmentioning

confidence: 99%

“…When applied to elemental materials, both nanoindentation [9][10][11][12][13][14][15][16][17][18] and nanoscratching [7,[19][20][21][22][23][24] simulations have mostly been performed for fcc metals such as Cu, Al or Au. Simulations of indentation in bcc metals are more rare -despite a considerable body of experimental data [25] -and include work on W [26], Ta [27,28] and Fe [4,[29][30][31][32]; for nanoscratching only Fe substrates appear to have been simulated [7,33].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions

Gao

Ruestes

Urbassek

2014

Computational Materials Science

126

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Section: Introductionmentioning

confidence: 66%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions

Gao

Ruestes

Urbassek

2014

Computational Materials Science

126

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“…The indentation [1][2][3][4][5][6][7][8][9][10][11][12][13] and scratching [14][15][16][17][18][19][20][21][22][23][24] of surfaces has been intensely studied using molecular dynamics simulation. While the majority of these studies use rigid toolsin the sense that the indenter is undeformable and also non-rotating-also the effect of rotational motion has been investigated in several case studies [25][26][27][28][29][30][31][32][33][34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

Indentation and Scratching with a Rotating Adhesive Tool: A Molecular Dynamics Simulation Study

Alhafez

Urbassek

2022

Tribol Lett

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For the specific case of a spherical diamond nanoparticle with 10 nm radius rolling over a planar Fe surface, we employ molecular dynamics simulation to study the processes of indentation and scratching. The particle is rotating (rolling). We focus on the influence of the adhesion force between the nanoparticle and the surface on the damage mechanisms on the surface; the adhesion is modeled by a pair potential with arbitrarily prescribed value of the adhesion strength. With increasing adhesion, the following effects are observed. The load needed for indentation decreases and so does the effective material hardness; this effect is considerably more pronounced than for a non-rotating particle. During scratching, the tangential force, and hence the friction coefficient, increase. The torque needed to keep the particle rolling adds to the total work for scratching; however, for a particle rolling without slip on the surface the total work is minimum. In this sense, a rolling particle induces the most efficient scratching process. For both indentation and scratching, the length of the dislocation network generated in the substrate reduces. After leaving the surface, the particle is (partially) covered with substrate atoms and the scratch groove is roughened. We demonstrate that these effects are based on substrate atom transport under the rotating particle from the front towards the rear; this transport already occurs for a repulsive particle but is severely intensified by adhesion.

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“…In such a case, molecular dynamics (MD) simulation is an appropriate tool to study the dislocation mediated plasticity [21]. In the past, most MD simulation studies about the plasticity and dislocation interactions beneath the surfaces, after indentation and scratch, are directed to the single crystal FCC [22][23][24][25] and BCC [26][27][28] materials. For HCP materials, very few studies are available in the literature [29][30][31].…”

mentioning

confidence: 99%

Towards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy

et al. 2020

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This work reports a combined experimental and atomistic simulation study on continuous precipitates (CPs) and discontinuous precipitates (DPs) affecting the scratch induced wear in AZ91 magnesium alloy. Nanoscratching experiments complemented by atomic simulations were performed to understand the directional dependence and origins of plasticity, friction and wear mechanisms as benchmarked to nanocrystalline HCP magnesium. Post scratch deformation analysis was performed using electron back scattering diffraction, scanning electron microscope and molecular dynamics (MD) simulation. The direction of orientation of the precipitates was observed to make a significant influence on the deformation behaviour.For example, regardless of the precipitates type (CP or DP), a ductile-brittle transition becomes pronounced while scratching along the direction (orientation) of precipitates, whilst a fully ductile response was obtained while scratching along the direction normal to the precipitates.However, regardless of the direction of orientation, DPs showed a higher wear resistance and coefficient of friction compared to the CPs. These observations were supported by the quantitative analysis of the planar defects such as coherent twins, extrinsic and intrinsic stacking faults in the deformation zone as well as 1/3 < 11 ̅ 00 > and 1/3 < 12 ̅ 10 > . Please refer to any applicable publisher terms of use.2 dislocations type extracted from the MD analysis.These observations will facilitate an improved design of AZ91 alloys in particular and intermetallic precipitate containing alloys in general.

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Molecular Dynamic Simulation of Effect of Crystallographic Orientation on Nano-Indentation/Scratching Behaviors of BCC Iron

Cited by 7 publications

References 5 publications

Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions

Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions

Indentation and Scratching with a Rotating Adhesive Tool: A Molecular Dynamics Simulation Study

Towards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy

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