Elementary Processes in Plasmas

Elementary Processes in Plasmas are obtained at PLASMI Lab by accurate theoretical methods, accounting for the dependence on the excitation of internal degrees of freedom of atoms and molecules (rovibronic levels) and for the different classes of processes relevant to technological fields, from fusion applications (negative ion sources, divertor region in tokamak), aerospace (re)entry conditions and astrochemistry.

Atom-Molecule and Molecule-Molecule collisions

» atom-molecule collisions:
roto-vibrational energy exchange and dissociation

Elementary Processes_in Plasmas

(v,j) = initial rotational and vibrational quantum numbers
(v’,j’) = final rotational and vibrational quantum numbers

  1. Method: quasiclassical trajectory method (QCT)
  2. In house numerical codes suitable for parallel, distributed (computational grids) and hybrid (MPI+OpenMP) calculations
  3. Typical serial computational time: from 6 months to 20 years Optimized for Fermi Supercomputer at Cineca

results and work in progress

»Aerospace:
N+N2(v,j), O+O2(v,j), N+O2(v,j), O+N2(v,j)
N2+N2, O2+N2 (molecule-molecule, even semiclassical)

»Nuclear fusion (negative ion sources, divertor):
H+H2(v,j), D+D2(v,j)
H++H2(v,j) non-adiabatic, with charge transfer

»Astrochemistry:
He+H2(v,j), He+H2+(v,j), H+HeH+(v,j)

Electron – Molecule Collisions
Dynamics of electron-molecule collisions for resonant and non-resonant elementary processes:

»H2, O2, N2, NO and CO resonant vibrational excitation (RVE)

»H2, O2 dissociative attachment (DEA)

»O2 and N2 resonant dissociation

»H2 non-resonant excitation and dissociation

»O2 and N2 dissociative excitation

»O2 and N2 non-dissociative ionization

»BeH, Cs2 and CH non-resonant electronic excitation

Atom-Molecule Surface
The interaction of atoms and molecules with surfaces can lead to a great variety of physical and chemical processes including scattering, adsorption, atoms recombination and molecule dissociative adsorption.
Molecular Dynamic calculation of surface processes aims are:
Understanding the dynamics pathways underlying atom/molecule-surface interactions
Predicting the catalytic activity as a function of atomic/molecular properties and structural /chemical properties of the solid substrate
Determining an accurate database of collisional coefficients to be used in kinetic modelling of surface chemical processes

In addition it is possible to determine the influence on the reaction dynamics of:
» Surface Polymorph
» Surface Chemical Composition
» Surface Adsorption Site
» Surface Temperature
» Isotope Species

Database
The phys4entry DB, designed and implemented by CNR IMIP Bari and SER&Practices spin-off of the University of Bari, is a database of state-selected dynamical information for elementary processes relevant to the state-to-state kinetic modeling of planetary-atmosphere entry conditions.

State-to-State Kinetics
State-to-state approach, proposed in the 70’s by the plasma chemistry group in Bari and nowadays widely used by the international plasma modeling community, can be considered as the most accurate tool for the investigation of chemical and thermal non-equilibrium under different conditions.
In the state-to-state kinetics, chemical processes are studied determining at the same time the distributions of internal levels of atoms and molecules, also accounting for the self-consistent coupling with the free electron kinetics.

Facilities & Labs

HPC Cluster and Services @ Bari

People

Iole_arminiseIole

Armenise

CNR Researcher

rutiglianom_fotoMaria

Rutigliano

CNR Researcher

mcapitelliMario

Capitelli

Associate Professor

esposito-fabrizioFabrizio

Esposito

CNR Researcher

Viso_UomoMario

Cacciatore

Associate Researcher

rcelibertoRoberto

Celiberto

Associate Professor

alaricchiutaAnnarita

Laricchiuta

CNR Researcher

Publications

  1. V. Laporta, J. Tennyson, R. Celiberto, Calculated low-energy electron-impact vibrational excitation cross sections for CO2 molecule, Plasma Sources Science and Technology, 25, 06LT02, (2016); doi:10.1088/0963-0252/25/6/06LT02
  2. A. Laricchiuta, R. Celiberto, M. Capitelli, G. Colonna, Calculation of Electron-Scattering Cross Sections Relevant for Hypersonic Plasma Modeling, Plasma Processes and Polymers, (2016); doi: 10.1002/ppap.201600131
  3. R. Celiberto, I. Armenise, M. Cacciatore, M. Capitelli, F. Esposito, P. Gamallo, R. K. Janev, A. Laganà, V. Laporta, A. Laricchiuta, A. Lombardi, M. Rutigliano, R. Sayós, J. Tennyson, J. M. Wadehra, Atomic and molecular data for spacecraft re-entry plasmas, Plasma Sources Science and Technology (Topical Review), 25, 033004, (2016); doi: 10.1088/0963-0252/25/3/033004
  4. R. Celiberto, K. L. Baluja, R. K. Janev, V. Laporta, Electron-impact dissociation cross sections of vibrationally excited He2+ molecular ion, Plasma Physics and Controlled Fusion, 58, 014024, (2016); doi: 10.1088/0741-3335/58/1/014024
  5. V. Laporta, R. Celiberto, J. Tennyson, Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O2 molecules, Physical Review A, 91, 012701, (2015); doi: 10.1103/PhysRevA.91.012701
  6. V. Laporta, D. A. Little, R. Celiberto, J. Tennyson, Electron-impact resonant vibrational excitation and dissociation processes involving vibrationally excited N2 molecules, Plasma Sources Science and Technology, 23, 065002, (2014); doi: Doi: 10.1088/0963-0252/23/6/065002
  7. F. Esposito, C.M. Coppola, D. De Fazio, Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH + → H 2 + + He Reaction: A Rigourous Test for Reaction Dynamics Methods. The Journal of Physical Chemistry A. 2015;119,:12615−12626.
  8. M. Rutigliano, N. Sanna, A. Palma, Multiple approach to model unpaired spin density effects in H-ZSM5 zeolite with extra-framework O atom: H-abstraction reaction from methane, Computational and Theoretical Chemistry, 1074 (2015) 9-18
  9. I. Armenise, F. Esposito, “N2, O2, NO state-to-state vibrational kinetics in hypersonic boundary layers: The problem of rescaling rate coefficients to uniform vibrational ladders”, Chemical Physics, Vol.446, 2015, pp.30-46, DOI: 10.1016/j.chemphys.2014.11.004
  10. M. Rutigliano, D. Santoro, M. Balat-Pichelin, Hydrogen atom recombination on tungsten at high temperature: Experiment and Molecular Dynamics Simulation, Surface Science 628 (2014), 66-75

Latest News

TERAMETANANO - International Conference on Terahertz Emission, Metamaterials and Nanophotonics

TERAMETANANO - IV ed.

 

Castello Carlo V, Lecce 27 -31 Maggio 2018

 

The IV edition of TERAMETANANO, the International Conference on Terahertz Emission, Metamaterials and Nanophotonics, will take place in Lecce (Italy) from 27 to 31 of May 2019 in the 16th-century Castle of Charles V   with two special nights that will be held in an original Theatre of Roman period.

 

TERAMETANANO is an annual conference that gather physicists studying a wide variety of phenomena in the areas of nano-structuresnano-photonics and meta-materials, with special attention to the coupling between light and matter and in a broad range of wavelengths, going from the visible up to the terahertz.

 

Al via la fase 2 del Tecnopolo per la medicina di precisione

Firmata convenzione tra Regione, Università e Cnr per avvio seconda fase del Tecnopolo

Bari, 27 novembre 2018 

Sottoscritto stamane l’accordo tra Regione PugliaCnr Consiglio nazionale delle ricerche, Irccs Giovanni Paolo II di Bari e Università di Bari per l’avvio della seconda fase del Tecnopolo per la Medicina di Precisione. Sede del tecnopolo, il CnrNanotec.

“La sfida della medicina moderna è tradurre nella pratica clinica gli enormi progressi compiuti dalla scienza e dalla tecnologia. In questo contesto le nanotecnologie, focalizzate sull’indagine e sulla manipolazione della materia a livello nanometrico-molecolare, si presentano come uno strumento potentissimo al servizio della medicina di precisione, la nuova frontiera che punta allo sviluppo di trattamenti personalizzati per il singolo paziente”, afferma  Giuseppe Gigli, direttore di Cnr Nanotec e coordinatore del Tecnopolo.

Link video dichiarazione Massimo Inguscio: http://rpu.gl/uChUl

Link video di presentazione Tecnomed: http://rpu.gl/Qqerm

Link video dichiarazione Michele Emiliano: http://rpu.gl/aJoee

Alessandro Polini, si aggiudica l'LushPrize2018

Alessandro Polini, si aggiudica l'LushPrize2018

Berlino, 16 novembre 2018 

Alessandro Polini , giovane ricercatore presso l’Istituto di Nanotecnologia del Consiglio nazionale delle ricerche (Cnr-Nanotec) di Lecce, si è aggiudicato il Lush Prize 2018 categoria 'Giovani ricercatori', il premio che incoraggia le idee che promuovono la sperimentazione non animale.

Il giovane salentino ha visto così gratificare il suo studio basato sull’utilizzo di modelli 'organ-on-a-chip' altamente sofisticati per capire i meccanismi patologici alla base della Sclerosi Laterale Amiotrofica (SLA). Formatosi nel campo delle biotecnologie mediche, bioingegneria e nanotecnologie, anche con importanti esperienze internazionali -dal Lawrence Berkeley National Laboratory in California all'Harvard Medical School in Massachusetts per approdare poi alla Radboud University in Olanda- Alessandro Polini è rientrato in Italia per proseguire gli studi relativi ai sistemi 'organ-on-a-chip' grazie alla piattaforma tecnologica TecnoMED, il 'Tecnopolo di nanotecnologia e fotonica per la medicina di precisione' nato presso il Cnr-Nanotec di Lecce da un progetto finanziato da Regione Puglia, Cnr e Miur...

Comunicato Stampa CNR Intervista ad Alessandro Polini, vincitore del Lush Prize 2018 con il progetto ‘organ-on-a-chip’