784 research outputs found
Generation of Intrinsic Vibrational Gap Modes in Three-Dimensional Ionic Crystals
The existence of anharmonic localization of lattice vibrations in a perfect
3-D diatomic ionic crystal is established for the rigid-ion model by molecular
dynamics simulations. For a realistic set of NaI potential parameters, an
intrinsic localized gap mode vibrating in the [111] direction is observed for
fcc and zinc blende lattices. An axial elastic distortion is an integral
feature of this mode which forms more readily for the zinc blende than for the
fcc structure. Molecular dynamics simulations verify that in each structure
this localized mode may be stable for at least 200 cycles.Comment: 5 pages, 4 figures, RevTeX, using epsf.sty. To be published in Phys.
Rev. B. Also available at http://www.msc.cornell.edu/~kiselev
The importance of initial-final state correlations for the formation of fragments in heavy ion collisions
Using quantum molecular dynamics simulations, we investigate the formation of
fragments in symmetric reactions between beam energies of E=30AMeV and 600AMeV.
After a comparison with existing data we investigate some observables relevant
to tackle equilibration: dsigma/dErat, the double differential cross section
dsigma/pt.dpz.dpt,... Apart maybe from very energetic E>400AMeV and very
central reactions, none of our simulations gives evidence that the system
passes through a state of equilibrium. Later, we address the production
mechanisms and find that, whatever the energy, nucleons finally entrained in a
fragment exhibit strong initial-final state correlations, in coordinate as well
as in momentum space. At high energy those correlations resemble the ones
obtained in the participant-spectator model. At low energy the correlations are
equally strong, but more complicated; they are a consequence of the Pauli
blocking of the nucleon-nucleon collisions, the geometry, and the excitation
energy. Studying a second set of time-dependent variables (radii,
densities,...), we investigate in details how those correlations survive the
reaction especially in central reactions where the nucleons have to pass
through the whole system. It appears that some fragments are made of nucleons
which were initially correlated, whereas others are formed by nucleons
scattered during the reaction into the vicinity of a group of previously
correlated nucleons.Comment: 45 pages text + 20 postscript figures Accepted for publication in
Physical Review
Ab initio Hartree-Fock Born effective charges of LiH, LiF, LiCl, NaF, and NaCl
We use the Berry-phase-based theory of macroscopic polarization of dielectric
crystals formulated in terms of Wannier functions, and state-of-the-art
Gaussian basis functions, to obtain benchmark ab initio Hartree-Fock values of
the Born effective charges of ionic compounds LiH, LiF, LiCl, NaF, and NaCl. We
find excellent agreement with the experimental values for all the compounds
except LiCl and NaCl, for which the disagreement with the experiments is close
to 10% and 16%, respectively. This may imply the importance of many-body
effects in those systems.Comment: 11 pages, Revtex, 2 figures (included), to appear in Phys. Rev. B
April 15, 200
Dynamical Properties and Plasmon Dispersion of a Weakly Degenerate Correlated One-Component Plasma
Classical Molecular Dynamics (MD) simulations for a one-component plasma
(OCP) are presented. Quantum effects are included in the form of the Kelbg
potential. Results for the dynamical structure factor are compared with the
Vlasov and RPA (random phase approximation) theories. The influence of the
coupling parameter , degeneracy parameter and the form
of the pair interaction on the optical plasmon dispersion is investigated. An
improved analytical approximation for the dispersion of Langmuir waves is
presented.Comment: 23 pages, includes 7 ps/eps-figures and 2 table
Measurement of the electron electric dipole moment using YbF molecules
The most sensitive measurements of the electron electric dipole moment d_e
have previously been made using heavy atoms. Heavy polar molecules offer a
greater sensitivity to d_e because the interaction energy to be measured is
typically 10^3 times larger than in a heavy atom. We report the first
measurement of this kind, for which we have used the molecule YbF. Together,
the large interaction energy and the strong tensor polarizability of the
molecule make our experiment essentially free of the systematic errors that
currently limit d_e measurements in atoms. Our first result d_e = (- 0.2 \pm
3.2) x 10^-26 e.cm is less sensitive than the best atom measurement, but is
limited only by counting statistics and demonstrates the power of the method.Comment: 4 pages, 4 figures. v2. Minor corrections and clarifications made in
response to referee comment
Quantum gates with topological phases
We investigate two models for performing topological quantum gates with the
Aharonov-Bohm (AB) and Aharonov-Casher (AC) effects. Topological one- and
two-qubit Abelian phases can be enacted with the AB effect using charge qubits,
whereas the AC effect can be used to perform all single-qubit gates (Abelian
and non-Abelian) for spin qubits. Possible experimental setups suitable for a
solid state implementation are briefly discussed.Comment: 2 figures, RevTex
Accounting students' IT applicaton skills over a 10-year period
This paper reports on the changing nature of a range of information technology (IT) application skills that students declare on entering an accounting degree over the period from 1996 to 2006. Accounting educators need to be aware of the IT skills students bring with them to university because of the implications this has for learning and teaching within the discipline and the importance of both general and specific IT skills within the practice and craft of accounting. Additionally, IT skills constitute a significant element within the portfolio of employability skills that are increasingly demanded by employers and emphasized within the overall Higher Education (HE) agenda. The analysis of students' reported IT application skills on entry to university, across a range of the most relevant areas of IT use in accounting, suggest that their skills have continued to improve over time. However, there are significant differential patterns of change through the years and within cohorts. The paper addresses the generalizability of these findings and discusses the implications of these factors for accounting educators, including the importance of recognising the differences that are potentially masked by the general increase in skills; the need for further research into the changing nature, and implications, of the gender gap in entrants' IT application skills; and the low levels of entrants' spreadsheet and database skills that are a cause for concern
Landau Analog Levels for Dipoles in the Noncommutative Space and Phase Space
In the present contribution we investigate the Landau analog energy
quantization for neutral particles, that possesses a nonzero permanent magnetic
and electric dipole moments, in the presence of an homogeneous electric and
magnetic external fields in the context of the noncommutative quantum
mechanics. Also, we analyze the Landau--Aharonov--Casher and
Landau--He--McKellar--Wilkens quantization due to noncommutative quantum
dynamics of magnetic and electric dipoles in the presence of an external
electric and magnetic fields and the energy spectrum and the eigenfunctions are
obtained. Furthermore, we have analyzed Landau quantization analogs in the
noncommutative phase space, and we obtain also the energy spectrum and the
eigenfunctions in this context.Comment: 20 pages, references adde
Maxwell Duality, Lorentz Invariance, and Topological Phase
We discuss the Maxwell electromagnetic duality relations between the
Aharonov-Bohm, Aharonov-Casher, and He-McKellar-Wilkens topological phases,
which allows a unified description of all three phenomena. We also elucidate
Lorentz transformations that allow these effects to be understood in an
intuitive fashion in the rest frame of the moving quantum particle. Finally, we
propose two experimental schemes for measuring the He-McKellar-Wilkens phase.Comment: 10 pages, 2 figure
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