Publications (11)
Capillary instability in nanowire geometries
T. Frolov, W. C. Carter, M. Asta
The vapor-liquid-solid (VLS) mechanism has been applied extensively as a framework for growing single-crystal semiconductor nanowires for applications spanning optoelectronic, sens…
First-principles study of the energetics of charge and cation mixing in U_{1-x} Ce_x O_2
B. E. Hanken, C. R. Stanek, N. Grønbech-Jensen +1
The formalism of electronic density-functional-theory, with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of U_{1-x} Ce_x O_2 mixtures. The…
Multiscale modeling of submonolayer growth for Fe/Mo(110)
M. MaÅ¡Ãn, M. Kotrla, B. Yang +3
We use a multiscale approach to study a lattice-gas model of submonolayer growth of Fe/Mo(110) by Molecular Beam Epitaxy. To begin with, we construct a two-dimensional lattice-gas…
Dislocation content of grain boundary phase junctions and its relation to grain boundary excess properties
T. Frolov, D. L. Medlin, M. Asta
We analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB d…
Atomic-scale structure of the SrTiO3(001)-c(6x2) reconstruction: Experiments and first-principles calculations
C. H. Lanier, A. van de Walle, N. Erdman +7
The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure…
Capillary force-induced structural instability in liquid infiltrated elastic circular tubes
Y. Yang, Y. F. Gao, D. Y. Sun +2
The capillary-induced structural instability of an elastic circular tube partially filled by a liquid is studied by combining theoretical analysis and molecular dynamics simulation…