Pressure Dependence of Hydrogen-Induced Amorphization in C15 Laves Phase TbFe<SUB>2</SUB>

Irradiation-induced formation of nanocrystallites with C15 Laves phase structure in bcc iron.

A three-dimensional periodic structure is proposed for self-interstitial clusters in body-centered-cubic metals, as opposed to the conventional two-dimensional loop morphology. The underlying crystal structure corresponds to the C15 Laves phase. Using density functional theory and interatomic potential calculations, we demonstrate that in α-iron these C15 aggregates are highly stable and immobi...

A New Phase and Pressure Induced Amorphization in Silica

Using first principles variable cell shape molecular dynamics, we predict a new structure for silica. This structure results from annealing a-quartz at pressures near a major phonon instability. The new phase is obtained by rotations of SiO4 tetrahedra producing edge-sharing SiO6 octahedra and SiO5 cuboids. This type of mechanism was proposed to account for structural transitions in silicate me...

Pressure-induced amorphization in the nanoindentation of single crystalline silicon

Large-scale molecular dynamics simulations of nanoindentation on a (100) oriented silicon surface were performed to investigate the mechanical behavior and phase transformation of single crystalline silicon. The direct crystalline-to-amorphous transformation is observed during the nanoindentation with a spherical indenter as long as the applied indentation strain or load is large enough. This a...

temperature dependence of phase transformation pressure in silicon

in this experimental work the pressure induced phase transformation of silicon and germaniumhas been studied. it was shown that at a particular value of applied pressure, (pt), depending on the sampletemperature, the electrical resistance of the specimen falls off to a metallic state. the main goal of this studywas to find out how the phase transformation pressure, pt, for a p-type silicon vari...

Pressure-induced structural evolution and amorphization in Eu3Ga5O12