TY - GEN
T1 - Spectral analysis of stress states in atomistic single crystal models
AU - Kumar, Navin
AU - Pochiraju, Kishore
PY - 2009
Y1 - 2009
N2 - 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.
AB - 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.
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M3 - Conference contribution
AN - SCOPUS:77958059589
SN - 9781439817834
SN - 9781439817834
T3 - Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
SP - 523
EP - 526
BT - Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
T2 - Nanotechnology 2009: Life Sciences, Medicine, Diagnostics, Bio Materials and Composites - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
Y2 - 3 May 2009 through 7 May 2009
ER -