### Abstract

We present and analyze results of a large series of atomistic calculations of crystal resistance to shearing along rational planes of different orientations. The data computed for bcc and fcc crystals suggests that the interplanar spacing, d, is not a pertinent scaling parameter for the ideal shear resistance and that instead, plane orientation angle, θ, is a more appropriate predictor of the resistance variations among crystal planes in the same crystallographic zone. By counting the interatomic bonds reaching across the shear plane, we obtain interpolation functions that accurately match the computed resistances in the whole range of plane orientations. Entirely defined by the lattice symmetries and geometry, the interpolation functions are universal for a given crystallographic class of materials. Within a given class, material specificity of the shear resistance is accounted for with just a few scaling parameters entering the interpolation functions.

Original language | English |
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Pages (from-to) | 3847-3859 |

Number of pages | 13 |

Journal | Philosophical Magazine |

Volume | 86 |

Issue number | 25-26 |

DOIs | |

Publication status | Published - 2006 Sep 1 |

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### All Science Journal Classification (ASJC) codes

- Condensed Matter Physics

### Cite this

*Philosophical Magazine*,

*86*(25-26), 3847-3859. https://doi.org/10.1080/14786430600643282

}

*Philosophical Magazine*, vol. 86, no. 25-26, pp. 3847-3859. https://doi.org/10.1080/14786430600643282

**Geometric aspects of the ideal shear resistance in simple crystal lattices.** / Bulatov, V. V.; Cai, W.; Baran, R.; Kang, Keon Wook.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Geometric aspects of the ideal shear resistance in simple crystal lattices

AU - Bulatov, V. V.

AU - Cai, W.

AU - Baran, R.

AU - Kang, Keon Wook

PY - 2006/9/1

Y1 - 2006/9/1

N2 - We present and analyze results of a large series of atomistic calculations of crystal resistance to shearing along rational planes of different orientations. The data computed for bcc and fcc crystals suggests that the interplanar spacing, d, is not a pertinent scaling parameter for the ideal shear resistance and that instead, plane orientation angle, θ, is a more appropriate predictor of the resistance variations among crystal planes in the same crystallographic zone. By counting the interatomic bonds reaching across the shear plane, we obtain interpolation functions that accurately match the computed resistances in the whole range of plane orientations. Entirely defined by the lattice symmetries and geometry, the interpolation functions are universal for a given crystallographic class of materials. Within a given class, material specificity of the shear resistance is accounted for with just a few scaling parameters entering the interpolation functions.

AB - We present and analyze results of a large series of atomistic calculations of crystal resistance to shearing along rational planes of different orientations. The data computed for bcc and fcc crystals suggests that the interplanar spacing, d, is not a pertinent scaling parameter for the ideal shear resistance and that instead, plane orientation angle, θ, is a more appropriate predictor of the resistance variations among crystal planes in the same crystallographic zone. By counting the interatomic bonds reaching across the shear plane, we obtain interpolation functions that accurately match the computed resistances in the whole range of plane orientations. Entirely defined by the lattice symmetries and geometry, the interpolation functions are universal for a given crystallographic class of materials. Within a given class, material specificity of the shear resistance is accounted for with just a few scaling parameters entering the interpolation functions.

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U2 - 10.1080/14786430600643282

DO - 10.1080/14786430600643282

M3 - Article

VL - 86

SP - 3847

EP - 3859

JO - Philosophical Magazine

JF - Philosophical Magazine

SN - 1478-6435

IS - 25-26

ER -