Elastic constants from microscopic strain fluctuations

Elastic constants from microscopic strain fluctuations

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonic...

Comment on "Elastic constants from microscopic strain fluctuations".

Sengupta [Phys. Rev. E 61, 1072 (2000)] presented an elegant and simple finite-size scaling method for the calculation of elastic constants and their corresponding correlation lengths, which is suitable for many finite discrete systems considered through simulations or experiments. We take into account a mathematical finite-size effect that was neglected by the authors in order to propose a mor...

Calculation of Elastic Bond Constants in Atomistic Strain Analysis

Strain analysis has significance both for tailoring material properties and designing nanoscale devices. In particular, strain plays a vital role in engineering the growth thermodynamics and kinetics and is applicable for designing optoelectronic devices. In this paper, we present a methodology for establishing the relationship between elastic bond constants and measurable parameters, i.e., Poi...

Martensitic Transformation and Elastic Constants

Elastic constants of natural quartz.

The elastic constants of a natural-quartz sphere using resonance-ultrasound spectroscopy (RUS) are measured. The measurements of the near-traction-free vibrational frequencies of the sphere are matched with the predicted frequencies from the dynamic theory of elasticity, with optimized estimates for the elastic constants driving the differences between these sets of frequencies to a minimal val...