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In this paper, material deformation during ultra-precision machining (UPM) on the C-, R-, and A-planes of sapphire was investigated using the slip/fracture activation model where the likelihood of activation of individual plastic deformation and fracture systems on different crystallographic planes was calculated. The stress data obtained from molecular dynamics (MD) simulations were utilized, and the slip/fracture activation model was developed by incorporating the principal stresses in calculating the plastic deformation and fracture cleavage parameters. The analysis methodology was applied to study material deformation along various cutting orientations in sapphire. The stress field at crack initiation during UPM on C-, R-, and A-planes of sapphire was calculated using molecular dynamics (MD) simulations. An equation describing the relationship between crack initiation and its triggering parameters was formulated considering the systems’ plastic deformation and cleavage fractures. The model can qualitatively predict the crack initiations for various cutting orientations. The proposed model was verified through ultra-precision orthogonal plunge cut experiments along the same cutting orientations as in the MD simulations.
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Cytosine monohydrate under mechanical stress
Nanoindentation performed with a conospherical tip on the (100) face of cytosine monohydrate (CM) revealed a highly anisotropic response over a range of loads. Post-indent atomic force microscopy images identified an asymmetric deformation response owing to the pro-chiral structure of the surface. Activation of low rugosity slip planes induces movement of π-stacks rather than their displacement along the 1-dimensional hydrogen bonded ribbon direction. Anisotropy arises because slip can only propagate to one side of the indent, as the tip itself imparts a barrier to slip on the preferred plane thereby forcing the activation of secondary slip systems and pileup. The anisotropic deformation is of interest in relation to previous work which proposed a ribbon–rotation model to account for the topotactic conversion between CM and the product of its dehydration. The asymmetry in the nanomechanical properties exhibited by CM provides further support for the rotational model put forth and also serves to underscore the inherent relationship between a hydrate's mechanical properties and its solid state dehydration mechanism.
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- Award ID(s):
- 2004435
- PAR ID:
- 10418544
- Date Published:
- Journal Name:
- CrystEngComm
- Volume:
- 25
- Issue:
- 20
- ISSN:
- 1466-8033
- Page Range / eLocation ID:
- 3044 to 3050
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/d3ce00293d
