Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 4 de 4
Filtrar
Más filtros











Base de datos
Intervalo de año de publicación
1.
J Chem Phys ; 142(15): 154507, 2015 Apr 21.
Artículo en Inglés | MEDLINE | ID: mdl-25903897

RESUMEN

The transport of excess electrons in liquid argon driven out of equilibrium by an applied electric field is revisited using a multi-term solution of Boltzmann's equation together with ab initio liquid phase cross-sections calculated using the Dirac-Fock scattering equations. The calculation of liquid phase cross-sections extends previous treatments to consider multipole polarisabilities and a non-local treatment of exchange, while the accuracy of the electron-argon potential is validated through comparison of the calculated gas phase cross-sections with experiment. The results presented highlight the inadequacy of local treatments of exchange that are commonly used in liquid and cluster phase cross-section calculations. The multi-term Boltzmann equation framework accounting for coherent scattering enables the inclusion of the full anisotropy in the differential cross-section arising from the interaction and the structure factor, without an a priori assumption of quasi-isotropy in the velocity distribution function. The model, which contains no free parameters and accounts for both coherent scattering and liquid phase screening effects, was found to reproduce well the experimental drift velocities and characteristic energies.

2.
J Chem Phys ; 138(7): 074301, 2013 Feb 21.
Artículo en Inglés | MEDLINE | ID: mdl-23445003

RESUMEN

We present total, elastic, and inelastic cross sections for positron and electron scattering from tetrahydrofuran (THF) in the energy range between 1 and 5000 eV. Total cross sections (TCS), positronium formation cross sections, the summed inelastic integral cross sections (ICS) for electronic excitations and direct ionization, as well as elastic differential cross sections (DCS) at selected incident energies, have been measured for positron collisions with THF. The positron beam used to carry out these experiments had an energy resolution in the range 40-100 meV (full-width at half-maximum). We also present TCS results for positron and electron scattering from THF computed within the independent atom model using the screening corrected additivity rule approach. In addition, we calculated positron-impact elastic DCS and the sum over all inelastic ICS (except rotations and vibrations). While our integral and differential positron cross sections are the first of their kind, we compare our TCS with previous literature values for this species. We also provide a comparison between positron and electron-impact cross sections, in order to uncover any differences or similarities in the scattering dynamics with these two different projectiles.


Asunto(s)
Elasticidad , Electrones , Furanos/química , Modelos Moleculares , Conformación Molecular , Fenómenos Ópticos , Termodinámica
3.
J Chem Phys ; 138(7): 074302, 2013 Feb 21.
Artículo en Inglés | MEDLINE | ID: mdl-23445004

RESUMEN

Cross section results from a joint experimental and theoretical investigation into positron scattering from 3-hydroxy-tetrahydrofuran (3H-THF) are presented. Total and positronium (Ps) formation cross sections have been measured from 1 to 190 eV using the positron beamline at the Australian National University, which has an energy resolution between 60 and 100 meV. The total cross section (TCS) and the elastic and total inelastic integral cross sections in the energy range between 1 and 1000 eV have been computed within the Independent Atom Model using the Screening Corrected Additivity Rule approach. In addition, we have calculated elastic differential cross sections at selected incident energies. Our computations represent the first theoretical results reported for this target species, while our measured Ps formation cross sections are also novel. Comparison of the present TCS with the previous results from the University of Trento shows a good level of agreement at the lowest energies. We also provide a comparison between the present cross sections for 3H-THF and those from our earlier study on the parent molecule tetrahydrofuran.


Asunto(s)
Electrones , Furanos/química , Modelos Moleculares , Elasticidad , Conformación Molecular , Fenómenos Ópticos , Termodinámica
4.
Phys Rev Lett ; 105(7): 073201, 2010 Aug 13.
Artículo en Inglés | MEDLINE | ID: mdl-20868040

RESUMEN

Channel coupling is a phenomenon that has been investigated for many scattering processes, and is responsible for the formation of cusps or steps in the cross sections for open scattering channels at, or near, the onset of a new scattering channel. It has long been speculated that the opening of the positronium formation channel may lead to the formation of such cusp features in the elastic positron scattering cross section. In this work, elastic scattering of positrons has been measured in the region of the positronium formation threshold for the noble gases He-Xe. Cusplike behavior is observed and, while the features which are observed appear broad, they represent a magnitude of between 4 and 15% of the total elastic cross section. No evidence is found of any other features in this region, at least within the uncertainty of the present data, discounting the possibility of scattering resonances.

SELECCIÓN DE REFERENCIAS
DETALLE DE LA BÚSQUEDA