Spectral analysis of stress states in atomistic single crystal models

Navin Kumar, Kishore Pochiraju

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

A molecular dynamics study of stress states in a single crystal is presented in the frequency domain. The material with finite and infinite boundaries is represented with atomistic representative volumes. Gold lattice is used for numerical illustrations. The effective stresses in the gold lattice are studied using equilibrium molecular dynamics (EMD) force potentials. The temperatures at which stress states are determined are reached by using a systematic heating and equilibrium procedures that produce a convergent energy state. Total mean energy and variance obtained at the equilibrium state is compared for different heating rates. The dynamics stress states are observed in the frequency domain and the effect of the model geometry and boundary conditions on the natural modes of vibration has been studied.

Original languageEnglish
Title of host publicationTechnical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
Pages523-526
Number of pages4
StatePublished - 2009
EventNanotechnology 2009: Life Sciences, Medicine, Diagnostics, Bio Materials and Composites - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009 - Houston, TX, United States
Duration: 3 May 20097 May 2009

Publication series

NameTechnical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
Volume2

Conference

ConferenceNanotechnology 2009: Life Sciences, Medicine, Diagnostics, Bio Materials and Composites - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
Country/TerritoryUnited States
CityHouston, TX
Period3/05/097/05/09

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