3,882 research outputs found
Simulating the nanomechanical response of cyclooctatetraene molecules on a graphene device
We investigate the atomic and electronic structures of cyclooctatetraene
(COT) molecules on graphene and analyze their dependence on external gate
voltage using first-principles calculations. The external gate voltage is
simulated by adding or removing electrons using density functional theory (DFT)
calculations. This allows us to investigate how changes in carrier density
modify the molecular shape, orientation, adsorption site, diffusion barrier,
and diffusion path. For increased hole doping COT molecules gradually change
their shape to a more flattened conformation and the distance between the
molecules and graphene increases while the diffusion barrier drastically
decreases. For increased electron doping an abrupt transition to a planar
conformation at a carrier density of -810 e/cm is observed.
These calculations imply that the shape and mobility of adsorbed COT molecules
can be controlled by externally gating graphene devices
On the analysis of nucleon-nucleon scattering experiments
A method of perturbation calculation, especially adapted to nucleon-nucleon scattering problems, is described. Any contribution to the energy of the system which is relatively small where the nuclear potential is large may be treated as the perturbation. Two principal examples are discussed. (1) Energy as the perturbation: An expansion of the phase shifts in powers of the energy is written down which extends earlier results of Schwinger, Blatt, and Jackson. (2) The Coulomb field as the perturbation in the proton-proton problem: Expansions are given which relate the nuclear phase shifts in a combined nuclear and Coulomb field to the corresponding phase shifts for a purely nuclear problem. Attention is confined to central forces throughout
Oat Yields Depend on Seed Quality, Too!
Cost of the seed itself is a minor part of the cost of producing a crop. Once planted, it costs just as much to produce and harvest a poor crop as a good one. It\u27s part of good management to start with high-quality seed
Are JCT Analyses of Tax Change Proposals Useful to Individual Taxpayers?
This article examines whether taxpayers may rely on Joint Committee of Taxation (JCT) studies to assess how a proposed tax change will impact their circumstances by evaluating the impact of a proposed tax law change to broaden the individual income tax base and lower individual income tax rates by performing a microeconomic analysis on their explicit tax burdens before and after the proposed change in tax law. Our results indicate that JCT studies do not fully reveal the impact of proposed tax law changes on individual explicit tax burdens. Finally, we provide a simple methodology to determine the distributional impact of tax proposals on individuals using publically available information
Phonon-assisted optical absorption in silicon from first principles
The phonon-assisted interband optical absorption spectrum of silicon is
calculated at the quasiparticle level entirely from first principles. We make
use of the Wannier interpolation formalism to determine the quasiparticle
energies, as well as the optical transition and electron-phonon coupling matrix
elements, on fine grids in the Brillouin zone. The calculated spectrum near the
onset of indirect absorption is in very good agreement with experimental
measurements for a range of temperatures. Moreover, our method can accurately
determine the optical absorption spectrum of silicon in the visible range, an
important process for optoelectronic and photovoltaic applications that cannot
be addressed with simple models. The computational formalism is quite general
and can be used to understand the phonon-assisted absorption processes in
general
Knowledge, Beliefs, and Attitudes of Dental and Dental Hygiene Students Toward Obesity
Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/153645/1/jddj0022033720056912tb04032x.pd
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