Related papers: Multiscale Modeling of Peritectic Reaction Growth
We investigate the metallic breakdown of a substrate on which highly conducting particles are adsorbed and desorbed with a probability that depends on the local electric field. We find that, by tuning the relative strength $q$ of this…
By means of a model Hamiltonian approach we study the role of volume expansion, Hund's coupling and electron correlation in the standard hybridization mechanism for ferroelectricity in cubic CaMnO$_3$, a prototypical non-$d^0$ perovskite.…
Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique halide perovskite-inspired solution-based thin-film materials…
The exact solution of a diffusion$-$reaction model for the trapping and annihilation of positrons in small extended spherical defects (clusters, voids, small precipitates) with competitive rate-limited trapping in vacancy-type point defects…
In a recent letter [J. Phys. A26, L801 (1993)], Yaldram et al. studied the critical behaviour of a simple lattice gas model of the CO-NO catalytic reaction. The model exhibits a second order nonequilibrium phase transition from an active…
We analyze recent measurements [R. Blinc, V. V. Laguta, B. Zalar, M. Itoh and H. Krakauer, J. Phys. : Cond. Mat., v.20, 085204 (2008)] of the electric field gradient on the oxygen site in the perovskites SrTiO3 and BaTiO3, which revealed,…
The recently developed refractory multi-principle element alloy (MPEA), AlMo$_{0.5}$NbTa$_{0.5}$TiZr, shows an interesting microstructure with cuboidal precipitates of a disordered phase (${\beta}$, bcc) coherently embedded in an ordered…
A new model of crystal growth is presented that describes the phenomena on atomic length and diffusive time scales. The former incorporates elastic and plastic deformation in a natural manner, and the latter enables access to times scales…
A machine learned interatomic potential for AlN was developed using the ultra-fast force field (UF3) methodology. A strong agreement with density functional theory calculations in predicting key structural and mechanical properties,…
We have investigated the (0001) surfaces of several hexagonal manganite perovskites by low-energy electron diffraction (LEED) in order to determine if the surface periodicity is different from that of the bulk materials. These LEED studies…
We describe our optical and electron-microscopy observations of pearlite structures in eutectoid steels which seem to imply that the mechanisms of formation of pearlite colonies in these steels differ from those observed earlier for…
First-principles molecular dynamics simulations have been employed to analyze the proton diffusion in cubic BaZrO3 perovskite at 1300K, and a non-linear effect of an applied isometric strain of 2% on the lattice parameter has been observed.…
We report on the growth mechanism of YBa2Cu3O7-x (YBCO). Our study is based on the analysis of ultrathin, YBa2Cu3O7-x layers in c-axis oriented YBa2Cu3O7-x / PrBa2Cu3O7-x superlattices. We have found that the release of epitaxial strain in…
We report the synthesis of nanocrystal heterostructures composed of CsPbCl3 and PbS domains sharing an epitaxial interface. We were able to promote the growth of a PbS domain (in competition with the more commonly observed Pb4S3Cl2 one) on…
Design of novel artificial materials based on ferroelectric perovskites relies on the basic principles of electrostatic coupling and in-plane lattice matching. These rules state that the out-of-plane component of the electric displacement…
We describe a simple procedure for optimising the growth condition for high quality single crystals of the strontium ruthenate perovskites using an image furnace. The procedure involves carefully measuring the mass lost during crystal…
Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…
A theoretical model for the recently discovered effect of all-optical photoswitching in lead tribromide perovskite single microcrystals is proposed. The model takes into account the spatially distributed kinetics of the charge carrier…
The reaction-diffusion models have been extensively applied to explain the mechanism of pattern formations in early embryogenesis based on geometrically confined microtissues consisting of human pluripotent stem cells. Recently, mechanical…
Variations in growth conditions associated with different deposition techniques can greatly affect the phase stability and defect structure of complex oxide heterostructures. We synthesized superlattices of the paramagnetic metal LaNiO3 and…