The temperature-dependent elastic properties of B2-MgRE intermetallic compounds from first principles

Optical properties of intermetallic compounds from first principles calculations: a search for the ideal plasmonic material.

First principles calculations have been used to predict the optical properties for a range of intermetallic compounds for which little or no experimental optical data are currently available. Density functional theory combined with the random phase approximation is used to calculate the dielectric functions for these compounds. The aim of this work is to investigate how the band edge and plasma...

Point Defects in B2 Intermetallic Compounds

We are applying perturbed angular correlations (PAC) to study point defects near 111In probes in ordered B2 alloys. Systems studied include NiAl, CoAl, FeAl, CoGa and PdIn Ten different point defect configurations have been observed in annealed, quenched or mechanically-milled samples. The present status of this work is summarized. Systematics of hyperfine interactions of vacancy defects are th...

Study of elastic and piezoelectric properties of two-dimensional hexagonal III-V binary compounds: First-principles calculations

In this work, using plane wave method in the framework of density-functional theory, we calculated clamped-ion and relaxed-ion elasticity, stress and strain piezoelectric independent coefficients for seven stable combinations of honeycomb monolayers XY (X:B,Al,Ga,In ; Y:N,P,As,Sb). The coefficients calculations by two methods of density functional perturbation theory (DFPT) and finite differenc...

First principles calculationsof elastic properties of metalsMichael

Asymmetric buckling analysis of the circular FGM plates with temperature-dependent properties under elastic medium

In this paper, Asymmetric buckling analysis of functionally graded (FG) Circular plates with temperature dependent property that subjected to the uniform radial compression and thermal loading is investigated. This plate is on an elastic medium that simulated by Winkler and Pasternak foundation. Mechanical properties of the plate are assumed to vary nonlinearly by temperature change. The equili...