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

Technology Trasfer in Nanotechnology

Technology Transfer in Nanotechnology: Challenges and Opportunity

Lecce, 18/19 ottobre 2018

CNR NANOTEC c/o Campus Ecotekne

JRC in collaboration with the National Research Council (Cnr) is organising a workshop on Technology Transfer in Nanotechnology,

which will take place in CNR Nanotec (Lecce, Italy) on 18 and 19 October. This workshop is organised in the framework of the TTO-CIRCLE initiatives.   The aim of this event is to explore how technology transfer activities can be used as a mechanism to help EU industry, particularly Start-ups and SMEs, and Government in deploying and adopting Nano-technology. Practical examples will be presented to illustrate the potential of technology transfer in this area.   The workshop will gather technology providers, industry executives, technology transfer officers, policy makers and financial intermediaries to share experiences and lessons learned. One of the key objectives is to discuss policy implications at all levels that could help accelerating the adoption of Nanotechnology by the European manufacturing industry. More informations: https://ec.europa.eu/jrc/communities/community/european-tto-circle/event/technology-transfer-nanotechnology Download Locandina

Nanotechnology Transfer Day

26 Luglio 2018 - Lecce

CNR NANOTEC c/o Campus Ecotekne Siglato l’accordo lo scorso maggio tra CNR NANOTEC e Pairstech Capital Management, ha preso il via la collaborazione con PhD TT per la valutazione della ricerca

E’partita la collaborazione con PhD TT per la valorizzazione della ricerca sulla base dell’accordo siglato lo scorso Maggio tra CNR NANOTEC e Pairstech Capital Management, società di gestione patrimoniale che fornisce agli investitori istituzionali e privati un insieme di veicoli di investimento, al fine di valorizzare i risultati della ricerca svolta all'interno dell'Istituto.

Giovedì 19 Luglio dalle ore 11 alle ore 14 nella sede del CNR Nanotec di Lecce si è tenuto un incontro sul trasferimento tecnologico nel settore delle nanotecnologie applicate al settore biomedicale.

L’evento è stato organizzato dall’ufficio di Trasferimento Tecnologico del CNR Nanotec che ha inaugurato con questa giornata un ciclo di eventi mirato a presentare agli attori dell’ecosistema dell’innovazione nel settore delle nanotecnologie i vari modelli e alcune best practice di trasferimento tecnologico. In questa prima giornata il dott. Heber Verri e la dott.ssa Paola Urbani hanno presentato il nuovo modello di trasferimento tecnologico PhD TTãIndex Model.

PhD TT è una realtà italiana completamente indipendente specializzata in trasferimento tecnologico, è un acceleratore organizzato per il Go to Venture Practice, orientata al mondo delle Lifes Sciences.

PhD TT ha sviluppato un nuovo modello di trasferimento tecnologico: il PhD TT©INDEX MODEL dedicato alla generazione di valore dell'innovazione, focalizzato alla riduzione dei rischi delle opportunità di investimento a sostegno della ricerca.

I ricercatori intervengono attivamente nell'analisi iniziale di fattibilità e nella costituzione della futura società (start-up), con l'obiettivo di attrarre capitale di rischio utile a sostenere la fase del trasferimento tecnologico nella visione della "Research for go-to-market".

Il modello PhD TT nasce da un bisogno del mercato, quello di far dialogare due mondi estremamente diversi tra loro: il mondo della ricerca e il mondo degli investimenti.

PhD TT supporta tutte le attività in collaborazione con il TTO - CNR Nanotec con un team di lavoro esperto e grazie a un comitato scientifico-economico qualificato.

In occasione dell'evento del 19/7 u.s. al CNR Nanotec di Lecce, PHD TT ha presentato il proprio track record, dove si sono potuti valutare in dettaglio i casi di successo di intervento del PhD TT©INDEX MODEL.

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Disordered serendipity: a glassy path to discovery

A workshop in honour of Giorgio Parisi’s 70th birthday

September 19-21, 2018 - Roma

Sapienza University

With the occasion of celebrating Giorgio Parisi 70th birthday, the conference "Disordered serendipity: a glassy path to discovery" brings to Rome many among the world-leading experts in the field of complex systems. In order to properly represent the many fields of research where Giorgio Parisi gave a relevant contribution in his studies of disordered systems, the conference covers a broad spectrum of topics: from  fundamental and rigorous analysis of the statistical mechanics of disorder systems to applications in biology and computer science. These subjects are deeply interconnected since they are characterized by the presence of glassy behavior.

 

https://sites.google.com/site/disorderedserendipity/