LAUSR

About LAUSR
Donate
Contact Us

Follow us:

You are not signed in:

Sign Up!


   Articles with "mechanical dynamical" as a keyword



Photo by viazavier from unsplash

An ab initio study of mechanical and dynamical stability of MoSi2

Sign Up to like & get
recommendations! Published in 2018 at "Journal of Alloys and Compounds"

DOI: 10.1016/j.jallcom.2018.01.241

Abstract: Abstract We present a quantum-mechanical study of changes in the electronic structure, total energy, elastic properties, phonon spectra and structure of molybdenum disilicide (MoSi2) with tetragonal C11b structure due to uniaxial strains along the [001]… read more here.

Keywords: mosi2; mechanical dynamical; metal; study mechanical ... See more keywords
Photo by addyosmani from unsplash

Polytypism in calcium oxide compound: Mechanical and dynamical evidence of structural stability

Sign Up to like & get
recommendations! Published in 2020 at "Journal of Alloys and Compounds"

DOI: 10.1016/j.jallcom.2019.152424

Abstract: Abstract Bulk calcium peroxide (CaO2) was synthesized in 1941, where experiments assigned a tetragonal ‘calcium carbide’ phase. However our first-principles calculations of thermodynamic and dynamical properties evidence that the tetragonal calcium carbide phase of CaO… read more here.

Keywords: calcium oxide; mechanical dynamical; tetragonal calcium; evidence ... See more keywords
Photo by aaronburden from unsplash

A comparative ab initio study of the mechanical, dynamical and thermophysical characteristics of XC2 (X = La, Ce, Tb, Ho)

Sign Up to like & get
recommendations! Published in 2021 at "Vacuum"

DOI: 10.1016/j.vacuum.2021.110383

Abstract: Abstract The structural, mechanical, lattice dynamics and thermophysical characteristics of XC2 (X = La, Ce, Tb, Ho) have been theoretically investigate by means of density functional theory (DFT). The optimized lattice constants and elastic constants of XC2… read more here.

Keywords: initio study; characteristics xc2; study mechanical; comparative initio ... See more keywords
Photo from archive.org

Electronic Structure, Mechanical and Dynamical Stability of Hexagonal Subcarbides M2C (M = Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt): Ab Initio Calculations

Sign Up to like & get
recommendations! Published in 2018 at "Physics of the Solid State"

DOI: 10.1134/s1063783418020282

Abstract: Ab initio calculations were used to study the properties of a series of hexagonal (Fe2N-like) subcarbides M2C, where M = Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt, and to calculate their equilibrium structural… read more here.

Keywords: subcarbides m2c; electronic structure; structure mechanical; mechanical dynamical ... See more keywords