First-principles quantum simulations complemented with kinetic Monte Carlo calculations
were performed to gain insight into the oxygen vacancy diffusion mechanism and to explain …

The advancement of ion transport applications will require the development of functional
materials with a high ionic conductivity that is stable, scalable, and micro-patternable. We …

The hydrostatic pressure dependence of the diffusivity of B and Sb in Si and of B in Si 89 Ge
11 has been measured. The diffusivity of Sb in Si is retarded by pressure, characterized by …

Quantum calculations complemented with kinetic Monte Carlo (KMC) simulations were
performed to simulate impedance measurements in yttria stabilized zirconia (YSZ). The …

In order to understand vacancy clustering and phase stability in oxygen-deficient barium
strontium cobalt iron oxide (BSCF), we predict stability and activation energies for oxygen …

The kinetics of phase precipitation of an AA7075 alloy subjected to retrogression and
reaging (RRA) temper were theoretically characterized in each of the stages of that …

Solid-state batteries are generally considered to be safer than their liquid-state counterparts
due to their decreased potential for fire or short circuiting. The fabrication of solid-state …

A theoretical study of the defect formation (vacancy, interstitial and Frenkel defects) energy,
and vacancy migration energy in calcium fluoride is presented in this paper. Calculations …

Perovskite heteroepitaxy was investigated under various conditions using laser molecular
beam epitaxy. Well-controlled Ba Ti O 3∕ Sr Ti O 3 heterostructure was studied with in situ …

(cont.) Si-Ge interdiffusion at the strained Si/relaxed Sio. sGeo. 2 interface was found to be
the major mobility degradation mechanism for devices with higher thermal budget, while for …