231,738 research outputs found
Inexpensive, removable coating for plaster tooling
Procedure for thinning and spaying a vinyl material provides strippable film for plaster surfaces. Coating is low-cost, effective seal against moisture and other sources of damage. Coating consists of a mixture of hot-spray vinyl material and 30 to 50 percent by volume of methyl ethyl ketone
Effect of habituation on the susceptibility of the rat to restraint ulcers
The frequency and gravity of restraint ulcers were found to significantly diminish in rats previously exposed to brief periods of immobilization. The rats' becoming habituated to restraint conditions probably explains this phenomenon
Compactness of the space of causal curves
We prove that the space of causal curves between compact subsets of a
separable globally hyperbolic poset is itself compact in the Vietoris topology.
Although this result implies the usual result in general relativity, its proof
does not require the use of geometry or differentiable structure.Comment: 15 page
Energy density in density functional theory: Application to crystalline defects and surfaces
We propose a method to decompose the total energy of a supercell containing
defects into contributions of individual atoms, using the energy density
formalism within density functional theory. The spatial energy density is
unique up to a gauge transformation, and we show that unique atomic energies
can be calculated by integrating over Bader and charge-neutral volumes for each
atom. Numerically, we implement the energy density method in the framework of
the Vienna ab initio simulation package (VASP) for both norm-conserving and
ultrasoft pseudopotentials and the projector augmented wave method, and use a
weighted integration algorithm to integrate the volumes. The surface energies
and point defect energies can be calculated by integrating the energy density
over the surface region and the defect region, respectively. We compute
energies for several surfaces and defects: the (110) surface energy of GaAs,
the mono-vacancy formation energies of Si, the (100) surface energy of Au, and
the interstitial formation energy of O in the hexagonal close-packed Ti
crystal. The surface and defect energies calculated using our method agree with
size-converged calculations of the difference between the total energies of the
system with and without the defect. Moreover, the convergence of the defect
energies with size can be found from a single calculation.Comment: 25 pages, 6 figure
- …
