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Project List » Nanophysics of deposited semi-spheroidal atomic clusters |
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Nanophysics of deposited semi-spheroidal atomic clusters
proiecte.nipne.ro/pn2/17-projects.html
Acronym: NANCASS
Contracting Authority: Executive Agency for Higher Education, Research, Development and Innovation Funding (UEFISCDI)
Number / Date of the contract: 161 / 01.10.2007
Idei
Project Manager: Dorin Poenaru
Partners:
Starting date / finishing date: 2007-10-01 / 2010-09-30
Project value: 1000000 RON
Abstract: The main idea of the project is to advance significantly the understanding
of mechanisms of growth of atomic clusters deposited on planar surfaces,
potentially applicable in nanotechnology, microelectronics or medicine. In
order to explore in a systematic way different configurations which can be
met in practice we need a theoretical method able to give numerical results
in a reasonably short computer running time. The nuclear shell correction
method we have used to study the stability of heavy and superheavy nuclei,
will be adapted to atomic clusters deposited on a surface. The simplest
shape to be considered first is the semi-spheroid, for which we shall
calculate the deformation-dependent surface and curvature liquid drop model
(LDM) energies. A new single-particle shell model of a three-dimensional
harmonic oscillator with equipotential surfaces of the same shape will be
developed by solving the Schroedinger equation. The energy levels of this
model will be used as input data for shell and pairing corrections. The
potential energy surfaces versus the deformation and the number of atoms in
the cluster will show minima at which the best stability will be obtained.
They will be the result of the largest degeneracy of magic numbers combined
with the LDM minima. We shall derive analytical relationships for the
surface and curvature energies of oblate and prolate semi-spheroidal atomic
clusters and for the energy levels of the shell model as well. In the next
steps we shall try to simulate better the experiments by considering more
complex shapes, a term proportional to the square of angular momentum in the
Hamiltonian, a variable surface tension, etc. The significant results we
shall obtain in such a way will be eventually checked within ab initio
calculations based on density functional theory, involving heavy
computational effort.
Objectives:
THE STAGES OF THE PROJECT AND DELIVERY DATES
1. Binding energy of a spherical and semi-spherical metallic cluster within liquid drop model. (2007-12-15) Results
2. Deformation energy of spheroidal, semi-spheroidal and intermediate shape atomic clusters. Analytical
relationships within liquid drop model.
(2008-10-31) Results
3. Single-particle models of spheroidal and semi-spheroidal harmonic oscillator. Influence of the orbital momentum.
(2009-09-15) Results
4. Total deformation energy of a semi-spheroidal metallic cluster within macroscopic-microscopic approach. Shell and pairing corrections.
(2010-09-15)
RESULTS
PUBLISHED ARTICLES
RESEARCH TEAM
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