Dynamics of molecular collisions: Experimental and theoretical studies  Page description

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Details of project

 
Identifier
109440
Type K
Principal investigator Gulyás, László
Title in Hungarian Molekuláris ütközések dinamikája: kísérleti és elméleti vizsgálatok
Title in English Dynamics of molecular collisions: Experimental and theoretical studies
Keywords in Hungarian ion-molekula kölcsönhatás, fragmentáció, ionizáció, elektron emisszió, töltéscsere
Keywords in English ion-molecule interaction, fragmentation, ionization, electron emission, charge exchange
Discipline
Physics (Council of Physical Sciences)100 %
Ortelius classification: Molecular physics
Panel Physics
Department or equivalent Laboratory of Atomic Collisions (Institute for Nuclear Research, Hungarian Academy of Sciences)
Participants Bene, Erika
Herczku, Péter
Huszánk, Róbert
Juhász, Zoltán
Kovács, Sándor
Sarkadi, László
Sulik, Béla
Starting date 2014-01-01
Closing date 2018-12-31
Funding (in million HUF) 25.792
FTE (full time equivalent) 17.30
state running project





 

Final report

 
Results in Hungarian
Ion-molekula ütközések az utóbbi években több kutatási területen is (asztrofizika, plazmafizika, környezetfizika, sugárterápiás biológiai hatások, stb.) az érdeklődés homlokterébe kerültek. Az ion-molekula ütközések területén végzett vizsgálataink elsődleges célja az alapvető ütközési folyamatok dinamikájának mélyebb megértése volt. Főbb eredményeink: I. Negatív hidrogén ionokat figyeltük H2O és OH ionok fragmentnációja során, amelyek megjelenését klasszikus egyszeres és többszörös ütközési, valamint előzetes gerjesztési mechanizmusokkal értelmeztünk. II. Víz molekulák nagy energiájú H, He és H ionokkal kiváltott többszörös ionizációja során a molekula ionizáltsági fokára igen magas, 3-5 értékeket határoztunk meg. A többszörös ionizációt követő disszociációban a szétrepülő fragmentumok izotróp szögeloszlását figyeltük meg. III. Egy termodinamikai alapokon nyugvó statisztikus modellt fejlesztetünk ki a fragmentációs folyamatok tárgyalására, amelyet sikeresen alkalmaztunk mérési eredményeink értelmezésében. IV. Továbbfejlesztettük és alkalmaztuk a klasszikus Monte Carlo és a kvantummechanikai torzított hullámú modelleket az ionizációs folyamatok leírására molekuláris ütközésekben. V. Teljesen differenciális hatáskeresztmetszetek számolása során tanulmányoztuk a proton és hidrogén molekula üközésében fellépő ionizációval és elektron befogással járó folyamatokat, ahol többek között a lövedékion koherenciájára utaló effektusokat is értelmezni tudtunk.
Results in English
Recently, ion-molecule collisions attract increasing interest in many research fields like astrophysics, plasma physics, environmental sciences or radiation effects in biological tissues. The primary aim of our studies was a deeper understanding of the dynamics of the collision processes. Our main results are as follows: I. Observation of negatively charged hydrogen ions in fragmentation of H2O and OH ions, which was interpreted by classical binary and multiple scattering models and by excitation of the molecule before the fragmentation. II. The ionization of water molecule by energetic H, He and N ions was investigated, where the measurements resulted in unexpectedly high, 3-5 values for the maximum degree of ionization. The fragment-ion emission, followed by multiple ionization of the target, was found to be isotropic for all projectiles. III. For the description of the production of the fragment ions we constructed a thermodynamical model which was applied successfully in interpreting many of our experimental results. IV. We have generalized and applied classical Monte Carlo and quantum mechanical distorted wave methods for the treatment of multicenter molecular collisions. V. By evaluating fully differential cross sections, the ionization and electron capture mechanism have been investigated in collisions of protons with hydrogen molecules, where the effects due to the projectile coherence were also considered.
Full text https://www.otka-palyazat.hu/download.php?type=zarobeszamolo&projektid=109440
Decision
Yes





 

List of publications

 
L. Sarkadi and L. Gulyás: Classical-trajectory Monte Carlo model calculations for the antiproton-induced ionization of atomic hydrogen at low impact energy, PHYSICAL REVIEW A 90 , 022702 (2014), 2014
E. Lattouf, Z. Juhász, 2 , J.-Y. Chesnel, S. T. S. Kovács, E. Bene, P. Herczku, B. A. Huber, A. Mery, J.-C. Poully, J. Rangama and B. Sulik: Formation of anions and cations via a binary-encounter process in OH+ + Ar collisions: The role of dissociative excitation and statistical aspects, PHYSICAL REVIEW A 89 , 062721 (2014), 2014
Erika Bene and Marie-Christine Bacchus-Montabonel: Theoretical study of charge exchange dynamics in He+ + NO collisions, Eur. Phys. J. D 69, 167, 2014
S. T. S. Kovács, P. Herczku, Z. Juhász, B. Sulik: Fragmentation of CH4 molecules induced by 46 keV/u N+ and N2+ projectiles, J. Phys.: Conf. Ser. 488, 102017, 2014
Zoltán Juhász, Béla Sulik, Sándor T. S. Kovác, Elie Lattouf , Jimmy Rangama, Erika Bene, Bernd Huber, Francois Frémont, Alain Méry, Jean-Christophe Poully, Patrick Rousseau, Péter Herczku, and Jean-Yves Chesnel: A collision process responsible for widespread formation of H - anions, Journal of Physics: Conference Series 488 102024, 2014
L. Gulyás, S. Egri and T.Kirchner: Differential cross sections for single ionization of Li in collisions with fast protons and O 8+ ions, PHYSICAL REVIEW A 90, 062710, 2014
T. Kirchner, N. Khazai, L. Gulyás: Role of two-electron processes in the excitation-ionization of lithium atoms by fast ion impact, PHYSICAL REVIEW A 89 , 062702, 2014
L. Sarkadi: Classical treatment of the electron emission from collisions of uracil molecules with fast protons, PHYSICAL REVIEW A 92 , 062704 (2015), 2015
Arthanayaka, T. P. and Sharma, S. and Lamichhane, B. R. and Hasan, A. and Remolina, J. and Gurung, S. and Sarkadi, L. and Schulz, M.: Influence of the post-collision interaction on interference effects in ionization of H2by proton impact., Journal of Physics B: Atomic, Molecular and Optical Physics, 48 (17). p. 175204, 2015
Ajay Kumar , A N Agnihotri, D Misra, S Kasthurirangan, L Sarkadi and L C Tribedi: L 3 subshell alignment in bismuth induced by swift silicon ions, J. Phys. B: At. Mol. Opt. Phys. 48 (2015) 065202 (9pp), 2015
J.-Y. Chesnel, Z. Juhász, E. Lattouf, J. A. Tanis, B. A. Huber, E. Bene, S. T. S. Kovács, P. Herczku, A. Méry, J.-C. Poully, J. Rangama, and B. Sulik: Anion emission from water molecules colliding with positive ions: Identification of binary and many-body processes, Phys. Rev. A 91, 060701(R) (2015), 2015
Kelkar, A. H. and Gulyás, L. and Tribedi, Lokesh C: Angle-differential observation of plasmon electrons in the double-differential cross-section spectra of fast-ion-induced electron ejection from C60, Physical Review A, 92 052708 (2015), 2015
M. D. Spiewanowski. L. Gulyás, M. Horbatsch, J. Goullon, N. Ferreira , R. Hubele , V. L. B. de Jesus, H. Lindenblatt, K.Schneider, M. Schulz, M. Schuricke, Z. Song, S. Zhang, D. Fischer, T. Kirchner: Target electron ionization in Li 2+ -Li collisions: A multi-electron perspective, Journal of Physics: Conference Series 601 (2015) 012010, 2015
S. T. S. Kovács , P. Herczku , L. Sarkadi, L. Gulyás, Z. Juhász and B. Sulik: Induced ionization of small molecules: comparison of experiment with quantum and classical calculations, Journal of Physics: Conference Series 635 (2015) 032088, 2015
S. T. S. Kovács, P. Herczku, Z. Juhász, B. Sulik: Fragmentation of H 2 O molecules induced by singly charged projectiles, Journal of Physics: Conference Series 635 (2015) 032115, 2015
I. Fabre , F. Navarrete , L. Sarkadi and R. O. Barrachina: Projectile coherence: The Van Cittert - Zernike theorem revisited, Journal of Physics: Conference Series 635 (2015) 042003, 2015
Sarkadi, L: Classical trajectory Monte Carlo model calculations for ionization of the uracil molecule by impact of heavy ions, J. Phys. B: At. Mol. Opt. Phys. 49 p. 185203, 2016
Sarkadi L. and Nagy D.: Forward electron emission in collisions of He2+ ions with Ar atoms with simultaneous capture of two electrons, Physical Review A, 94 p. 042709, 2016
Kovács S. T. S., Herczku P., Juhász Z., Sarkadi L., Gulyás L. and Sulik B: Ionization of small molecules induced byH+, He+, andN+projectiles: Comparison of experiment with quantum and classical calculations, Physical Review A, 94 (p) 012704, 2016
Sarkadi L., Fabre I., Navarrete F. and Barrachina R. O.: Loss of wave-packet coherence in ion-atom collisions, Physical Review A, 93 (p) 032702, 2016
Barrachina, R. O., Gulyás L. and Sarkadi L.: Wannier threshold theory for the description of the two-electron cusp in the ion-induced double ionization of atoms, NIM B: Beam Interactions with Materials and Atoms, 369. (p) 98, 2016
Śpiewanowski M. D., Gulyás L., Horbatsch M. and Kirchner T.: Doubly-differential-cross-section calculations forK-shell-vacancy production in lithium by fastO8+-ion impact., Physical Review A, 93 (p) 012707, 2016
Gulyás L, Egri S., Ghavaminia H. and Igarashi A.: Single and multiple electron removal and fragmentation in collisions of protons with water molecules., Physical Review A, 93 (p) 032704., 2016
Juhász Z.: Thermodynamic model for electron emission and negative- and positive-ion formation in keV molecular collisions, Physical Review A, 94 (p) 022707, 2016
S. T. S. Kovács, P. Herczku, Z. Juhász, L. Sarkadi, L. Gulyás, and B. Sulik: Dissociative ionization of the H2O molecule induced by medium-energy singly charged projectiles, PHYSICAL REVIEW A 96, 032704 (2017), 2014
S. T. S. Kovács, P. Herczku, Z. Juhász, L. Sarkadi, L. Gulyás, and B. Sulik: Dissociative ionization of the H2O molecule induced by medium-energy singly charged projectiles, PHYSICAL REVIEW A 96, 032704, 2017
Hoda Ghavaminia, Laszlo Gulyas, Laszlo Sarkadi , Erika Bene , Sandor Demes and Zoltan Juhasz: Electron capture from H2 molecule by He+ ions, Eur. Phys. J. D 71: 217, 2017
M. Shipman, S. J. Brawley, L. Sarkadi, nd G. Laricchia: Resonant scattering of positronium as a quasifree electron, PHYSICAL REVIEW A 95, 032704, 2017
F. Navarrete, M.F. Ciappina, L. Sarkadi, R.O. Barrachina: The role of the wave packet coherence on the ionization cross section of He by p+ and C6+ projectiles, Nuclear Instruments and Methods in Physics Research B 408 165–168, 2017
L. Sarkadi: A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions, Computer Physics Communications 212 280–282, 2017
L. Sarkadi: Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions, Computer Physics Communications 212 283–284, 2017
A Igarashi and L Gulyás: Differential cross sections for the single ionization of H2 by 75keV proton impact, J. Phys. B: At. Mol. Opt. Phys. 50 035201, 2017
Akinori Igarashi , Laszlo Gulyás and Akihiko Ohsaki: Electron capture from H2 molecule by He+ ions, Eur. Phys. J. D 71: 290, 2017
A. igarashi and L. Gulyás: Differential cross sections for ionizations of H and H 2 by 75keV proton impact, J. Phys. B: At. Mol. Opt. Phys. 51, 035201, 2018
I. Fabre, F. Navarrete, L. Sarkadi and R. O. Barrachina: Free evolution of an incoherent mixture of states: a quantum mechanical approach to the van Cittert–Zernike theorem, Eur. J. Phys. 39, 015401, 2018




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