5,335 research outputs found
Mimicking Nanoribbon Behavior Using a Graphene Layer on SiC
We propose a natural way to create quantum-confined regions in graphene in a
system that allows large-scale device integration. We show, using
first-principles calculations, that a single graphene layer on a trenched
region of mimics i)the energy bands around the Fermi level
and ii) the magnetic properties of free-standing graphene nanoribbons.
Depending on the trench direction, either zigzag or armchair nanoribbons are
mimicked. This behavior occurs because a single graphene layer over a
surface loses the graphene-like properties, which are restored solely over the
trenches, providing in this way a confined strip region.Comment: 4 pages, 4 figure
On the smoothness of nonlinear system identification
We shed new light on the \textit{smoothness} of optimization problems arising
in prediction error parameter estimation of linear and nonlinear systems. We
show that for regions of the parameter space where the model is not
contractive, the Lipschitz constant and -smoothness of the objective
function might blow up exponentially with the simulation length, making it hard
to numerically find minima within those regions or, even, to escape from them.
In addition to providing theoretical understanding of this problem, this paper
also proposes the use of multiple shooting as a viable solution. The proposed
method minimizes the error between a prediction model and the observed values.
Rather than running the prediction model over the entire dataset, multiple
shooting splits the data into smaller subsets and runs the prediction model
over each subset, making the simulation length a design parameter and making it
possible to solve problems that would be infeasible using a standard approach.
The equivalence to the original problem is obtained by including constraints in
the optimization. The new method is illustrated by estimating the parameters of
nonlinear systems with chaotic or unstable behavior, as well as neural
networks. We also present a comparative analysis of the proposed method with
multi-step-ahead prediction error minimization
Formation of Atomic Carbon Chains from Graphene Nanoribbons
The formation of one-dimensional carbon chains from graphene nanoribbons is
investigated using it ab initio molecular dynamics. We show under what
conditions it is possible to obtain a linear atomic chain via pulling of the
graphene nanoribbons. The presence of dimers composed of two-coordinated carbon
atoms at the edge of the ribbons is necessary for the formation of the linear
chains, otherwise there is simply the full rupture of the structure. The
presence of Stone-Wales defects close to these dimers may lead to the formation
of longer chains. The local atomic configuration of the suspended atoms
indicates the formation of single and triple bonds, which is a characteristic
of polyynes.Comment: 4 pages, 5 figure
- …