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

Loretta del Mercato, si aggiudica l'ERC STARTING GRANT 2017

Loretta del Mercato, si aggiudica  l'ERC STARTING GRANT 2017

uno dei bandi più competitivi a livello europeo.

Lecce, 6 settembre 2017 

Lo European Research Council, che promuove la ricerca di eccellenza in Europa, nei giorni scorsi ha reso noti i nomi dei 406 vincitori della selezione ERC STARTING GRANT 2017, il bando tra i più competitivi a livello internazionale.

Su 3085 progetti presentati, 406 i progetti selezionati a cui sono stati destinati i 605 i milioni di euro di investimento. 48 le nazioni di provenienza dei ricercatori, soltanto 17 gli Italiani che condurranno le loro ricerche nel nostro paese, tra cui Loretta del Mercato, ricercatrice dell'Istituto di Nanotecnologia del Consiglio Nazionale delle Ricerche di Lecce.

Un importante riconoscimento alla ricerca nel settore della medicina di precisione condotta presso il CNR NANOTEC, un indiscusso premio al talento della giovane ricercatrice che, a 38 anni e un contratto a tempo determinato, sarà a capo del progetto "Sensing cell-cell interaction heterogeneity in 3D tumor models: towards precision medicine – INTERCELLMED".

Il progetto, il cui obiettivo è affrontare uno dei problemi più spinosi della ricerca sul cancro, ovvero la difficoltà nel trasformare i risultati delle ricerche scientifiche in applicazioni cliniche per i pazienti e che vedrà coinvolto l'Istituto tumori "Giovanni Paolo II" di Bari, si propone di sviluppare nuovi modelli in vitro 3D di tumore del pancreas, alternativi ai modelli animali, ingegnerizzati con un set di sensori nanotecnologici che consentiranno di monitorare le interazioni delle cellule tumorali con il loro micorambiente, verificare l'appropriatezza delle terapie prima della somministrazione ai pazienti oncologici e quindi prevedere la risposta dei singoli pazienti ad una o più terapie antitumorali.

La realizzazione di queste piattaforme 3D multifunzionali consentirà di superare le evidenti differenze intercorrenti tra "modelli animali" ed esseri umani fornendo dati attendibili ed in tempi più rapidi rispetto ai dati ottenuti tramite lunghi e costosi procedimenti di sperimentazione sugli animali. Le tecnologie e i modelli sviluppati saranno estesi anche ad altre forme di tumori solidi nonché impiegati per studi nell'ambito della ingegneria tissutale e della medicina rigenerativa.

Rassegna stampa e Video

Zeiss Microscopy Technology and Complete Correlative Workflow

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Zeiss Microscopy Technology and Complete Correlative Workflow

Lecce, Italy, 2017 Wednesday July 19th 

CNR NANOTEC @ Lecce, Aula Seminari – pal. G, Piano Terra

Program - PDF

Zeiss, as microscopy technology leader, provides the unique complete imaging solution ranging from light, confocal, electron, ion and Xray modalities with a complete and straightforward correlative workflow. An overview of different technologies will be presented with a special focus on X-Rray microscopy.

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MCS 2017

International Workshop on Micropropulsion and CubeSats

Bari, Italy, 26 - 27 June 2017

Program - MSC2017

This narrow-field, invited-only meeting is the first attempt to bring together the Materials and Micropropulsion communities with a view to contribute to the development of the Global Materials and Micropropulsion Roadmap, and set such meetings to a regular basis.