### Abstract

Strain has significance for both the growth characteristics and material properties of thin epitaxial films. In this work, the method of lattice statics is applied to an epitaxial system with cubic symmetry, using linear elasticity. The energy density and force balance equations are written using a finite difference formalism that clearly shows their consistency with continuum elasticity. For simplicity, the atomic interactions are assumed to be maximally localized. For a layered material system with a material/vacuum interface and with surface steps, force balance equations are derived, and intrinsic surface stress at the material/vacuum interface is included by treating the atoms at the surface as belonging to a different material. By defining the strain relative to an appropriately chosen nonequilibrium lattice, as in the method of eigenstrains, analytic formulas in terms of microscopic parameters are found for the macroscopic monopole and dipole forces due to a step.

Original language | English (US) |
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Title of host publication | 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 |

Editors | M. Laudon, B. Romanowicz |

Pages | 37-38 |

Number of pages | 2 |

Volume | 3 |

State | Published - 2003 |

Event | 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 - San Francisco, CA, United States Duration: Feb 23 2003 → Feb 27 2003 |

### Other

Other | 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 |
---|---|

Country | United States |

City | San Francisco, CA |

Period | 2/23/03 → 2/27/03 |

### Fingerprint

### Keywords

- Epitaxial growth
- Modeling and simulation
- Strain

### ASJC Scopus subject areas

- Engineering(all)

### Cite this

*2003 Nanotechnology Conference and Trade Show - Nanotech 2003*(Vol. 3, pp. 37-38)

**Modeling and simulation for epitaxial growth with strain.** / Caflisch, Russel; Connell, C.; Luo, E.; Gyure, M.; Simms, G.; Vvedensky, D.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

*2003 Nanotechnology Conference and Trade Show - Nanotech 2003.*vol. 3, pp. 37-38, 2003 Nanotechnology Conference and Trade Show - Nanotech 2003, San Francisco, CA, United States, 2/23/03.

}

TY - GEN

T1 - Modeling and simulation for epitaxial growth with strain

AU - Caflisch, Russel

AU - Connell, C.

AU - Luo, E.

AU - Gyure, M.

AU - Simms, G.

AU - Vvedensky, D.

PY - 2003

Y1 - 2003

N2 - Strain has significance for both the growth characteristics and material properties of thin epitaxial films. In this work, the method of lattice statics is applied to an epitaxial system with cubic symmetry, using linear elasticity. The energy density and force balance equations are written using a finite difference formalism that clearly shows their consistency with continuum elasticity. For simplicity, the atomic interactions are assumed to be maximally localized. For a layered material system with a material/vacuum interface and with surface steps, force balance equations are derived, and intrinsic surface stress at the material/vacuum interface is included by treating the atoms at the surface as belonging to a different material. By defining the strain relative to an appropriately chosen nonequilibrium lattice, as in the method of eigenstrains, analytic formulas in terms of microscopic parameters are found for the macroscopic monopole and dipole forces due to a step.

AB - Strain has significance for both the growth characteristics and material properties of thin epitaxial films. In this work, the method of lattice statics is applied to an epitaxial system with cubic symmetry, using linear elasticity. The energy density and force balance equations are written using a finite difference formalism that clearly shows their consistency with continuum elasticity. For simplicity, the atomic interactions are assumed to be maximally localized. For a layered material system with a material/vacuum interface and with surface steps, force balance equations are derived, and intrinsic surface stress at the material/vacuum interface is included by treating the atoms at the surface as belonging to a different material. By defining the strain relative to an appropriately chosen nonequilibrium lattice, as in the method of eigenstrains, analytic formulas in terms of microscopic parameters are found for the macroscopic monopole and dipole forces due to a step.

KW - Epitaxial growth

KW - Modeling and simulation

KW - Strain

UR - http://www.scopus.com/inward/record.url?scp=6344276778&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=6344276778&partnerID=8YFLogxK

M3 - Conference contribution

SN - 0972842209

SN - 9780972842204

VL - 3

SP - 37

EP - 38

BT - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003

A2 - Laudon, M.

A2 - Romanowicz, B.

ER -