Dept of Advanced Physical Technologies and New Materials

Dept. of Advanced Physical Technologies and New Materials An overview of the Department of Advanced Physical Technologies and New Materials (FIM) Andrea Quintiliani andrea. quintiliani@enea. it EERA Sherpa group meeting - Casaccia - December 2008 2

Department of Advanced Technologies and New Materials Dept. of Advanced Physical Technologies and New Materials “Enabling technologies" to achieve ENEA's strategic objectives: energy, environment and competitiveness of the manufacturing industry in the following areas: • New functional materials (Composite materials, Nanomaterials) • Materials engineering • Materials characterization • Non-ionising radiation technologies • Ionising radiation technologies • Autonomous robotics • Information and Communication Technologies • Modelling and simulation • Advanced technology services EERA Sherpa group meeting - Casaccia - December 2008 3

Activities Dept. of Advanced Physical Technologies and New Materials Ø R&D projects, generally financed by national and/or EU funding bodies; Ø Creation of prototypes and demonstration plants; Ø Technology transfer projects and dissemination of information to manufacturing industry, and in particular to SMEs; Ø Delivery of technical/scientific consultancy and services to private companies and public bodies; Ø Provision of high-level training on new and/or highly qualified skills, in collaboration with universities and manufacturing industry. EERA Sherpa group meeting - Casaccia - December 2008 4

FIM Research centres Dept. of Advanced Physical Technologies and New Materials Total number of employees: ~ 400 EERA Sherpa group meeting - Casaccia - December 2008

FIM Financial Resources Dept. of Advanced Physical Technologies and New Materials EERA Sherpa group meeting - Casaccia - December 2008 6

New materials for energy applications Dept. of Advanced Physical Technologies and New Materials Development of materials, components and processes for innovative applications in the energy sector, both for energy production and highefficiency end uses. • Composite materials for high temperature / high power energy cycles • Materials for hydrogen generation, storage and fuel cells • Cellular, metallic and polymeric components for structural lightening, mainly in vehicles • Materials and processes for thermal and acoustic insulation in the building industry • Nanomaterials and nanotechnologies: carbon-based nanomaterials, ceramics, nanomaterials for energy conversion processes, surface treatments • Sensors and RFID devices and applications • Solid-state lighting devices EERA Sherpa group meeting - Casaccia - December 2008 7

Materials and components for hightemperature, high-power energy cycles Dept. of Advanced Physical Technologies and New Materials • • Carbide and nitride based materials with self-repair properties, capable of closing and repair defects during high temperature operation; Fiber-reinforced ceramics and study of applications to energy generation and jet propulsion; Development of “Near-net shaping” technologies and exploration of opportunities of technology transfer to industries; Development of Ceramic Matrix Composites (CMC), capable of reducing sensitivity to defects through the introduction of a second phase in the structure. In this case a development of composite production technologies through Chemical Vapor Infiltration (CVI) is sought, also through the use of innovative solutions already developed in ENEA, aimed at a reduction of process costs and therefore interesting for an industrial take-up. EERA Sherpa group meeting - Casaccia - December 2008 8

Development of CFCCs (Continuous Fiber Ceramic Composites) using CVI (Chemical Vapour Infiltration) technology - EBC development by APS and slurry coating Dept. of Advanced Physical Technologies and New Materials Fiber Matrix Interlayer fiber -matrix Project for the implementation of a thermal gradient in ENEA-Faenza CVI plant Silicon Carbide CFCC (Si. Cf/Si. Cmatrix) properties: § High temperature strength § High toughness § Low weight § Reliability § Creep resistance § Resistance to shocks and fatigue CVI process vs liquid phase process (e. g: PIP-process) Advantages: § It deposits Si. C with high purity and wellcontrolled composition and microstructure. § Highly flexible process Drawbacks: § Low deposition rate The densification rate is improved by introducing a temperature gradient (Thermal Gradient - Chemical Vapour Infiltration, TG-CVI ) on the fiber preform EERA Sherpa group meeting - Casaccia - December 2008

Chemical Vapour Infiltration (CVI) process Dept. of Advanced Physical Technologies and New Materials Si. Cf/Si. C CFCC are produced with an Isothermal/Isobaric Chemical Vapour Infiltration / Deposition (I-CVI / CVD) plant (developed in ENEA-Faenza) The starting material is a porous 2 D-fiber preform maintained with a tooling The interphase (Pyrolitic Carbon Py-C) and then the Si. C-matrix, are deposited on the fiber surface, within the pore network of the preform, according to the following overall equations: CH 3 Si. Cl 3(g) → Si. C(s) + 3 HCl(g) CH 4 → C(s) + 2 H 2 EERA Sherpa group meeting - Casaccia - December 2008 SEM images of Py-C and Si. C on various substrates (Si. C felts and graphite)

MATERIALS FOR POWER GENERATION Mitgea Project Dept. of Advanced Physical Technologies and New Materials Objective: innovative processes for the industrial production of ceramic cores suitable for innovative DS production nickel-based superalloy turbine blades (increasing blades operating temperatures and lifetime and lowering costs) Grain bridging mechanism - Leachable Ceramic Cores for DS-investment casting; - Refractories, also produced using ceramic wastes; - Thermomechanical characterization (up to 1000 °C on metallic materials and superalloys and up to 1500° C on advanced ceramic and ceramic composite materials). Thermomechanical Ceramic cores characterization EERA Sherpa group meeting - Casaccia - December 2008 Microstructural characterization

MATERIALS FOR HIGH TEMPERATURES APPLICATIONS Dept. of Advanced Physical Technologies and New Materials Objective: substitution of traditional metallic materials with ceramics in thermal systems operating at high temperature (e. g. ceramic heat exchangers) Si. C-based materials with addition of Aluminum nitride and rare-earth oxides were studied and characterized with the aim of evaluating the mechanical properties and oxidation resistance at high temperature (1500°C). Pressureless-sintering was patented by ENEA in 2005 (IT BO 2005 A 000311). Results demonstrated that Si. C-Al. N-RE 2 O 3 composites can successfully be used in oxidative environment up to 1500°C. Pre-oxidized samples showed improved fracture toughness and flexural strength (CRACK-HEALING MECHANISM). Y 10 mm EERA Sherpa group meeting - Casaccia - December 2008

THERMAL PERFORMANCE OF BUILDING MATERIALS Dept. of Advanced Physical Technologies and New Materials CE-marking of masonry clay bricks requires also the evaluation of thermal conductivity of each element, in order to use them in structures satisfying the qualifications for thermal insulation. The Italian legislation (ministerial decree dated April 2 nd, 1998) made the statement of thermal properties compulsory, while UNI EN 771 -1: 2005 standard requires that the assessment of thermal properties of blocks has to be performed according to UNI EN 1745. Complying with the needs of bricks manufacturers, in the field of both product qualification and technological innovation, ENEA, together with ISTEC-CNR and Certi. Ma. C laboratories in Faenza, provides certification and consultancy services devoted to the assessment of thermal performances of clay bricks. EERA Sherpa group meeting - Casaccia - December 2008

THERMAL PERFORMANCE OF BUILDING MATERIALS Dept. of Advanced Physical Technologies and New Materials Thermal values of bricks (and other building materials) are calculated by a bi- and tri-dimensional finite elements stationary model, starting from thermal conductivity (W/m*K) of bulk, obtained using a Guarded Heat Flow Meter (see slide before) following ASTM E 1530. UNI EN 1745 requires to put in correlation this method to the reference method (ISO 8302 – Guarded Hot Plates). The finite element brick models developed can also be applied in a non-stationary way, simulating the natural daily cycles. R&D activities is being performed, together with ISTEC-CNR, aiming at enhancing insulation properties of building materials. EERA Sherpa group meeting - Casaccia - December 2008

Nanotechnologies Dept. of Advanced Physical Technologies and New Materials Synthesis, characterization and numerical modelling of nanoparticles and nanostructured materials. Synthesis and characterization of nanophases and nanoparticles: ü ü Carbon nanotubes and carbon nanostructures. Colloidal synthesis of metallic and semiconducting nanoparticles for optical and magnetic applications. Synthesis and characterization of nanocomposites and nanostructured materials. ü ü ü High energy ball milling for the synthesis and the processing of materials for hydrogen storage and hydrogen generation by thermo-chemical cycles Synthesis of nano-structured surfaces by ion implantation in insulators for optical and magnetic application. Synthesis of nano-structured polymeric materials. Material characterization: ü ü Material characterization by electron microscopy, X-Ray diffraction, surface spectroscopy, probe microscopy, time resolved optical spectroscopy etc. Remote operation of complex instrumentation Development of theoretical methods and of simulation codes ü ü Classical and quantistic molecular dynamics simulation Development of multi-scale designing methods EERA Sherpa group meeting - Casaccia - December 2008 15

Sustainable hydrogen production by thermochemical cycles Dept. of Advanced Physical Technologies and New Materials Our activities are on the synthesis of materials for the Manganese ferrite cycle with the purpose of reducing the operation temperatures EERA Sherpa group meeting - Casaccia - December 2008

Mn. O/Na. OH based composites Dept. of Advanced Physical Technologies and New Materials microparticles H 2 flux (a. u. ) nanoparticles Temperature ( °C) 1) Mn. O + Na. OH = Na. Mn. O 2 2) Na. Mn. O 2 + 1/2 H 2 O = Na. OH +1/2 Mn 2 O 3 3) Mn 2 O 3 = 2 Mn. O+1/202 EERA Sherpa group meeting - Casaccia - December 2008

Performances of Mn. Fe 2 O 4/Na 2 CO 3 based composites Dept. of Advanced Physical Technologies and New Materials Ferrite nanoparticles Nanostructured composites speed up the reaction kinetics allowing a temperature reduction EERA Sherpa group meeting - Casaccia - December 2008

Nanostructured Magnesium Based Composites for Hydrogen Storage Mg can store up to 7. 6 wt% hydrogen but suffers of the Dept. of Advanced Physical Technologies and New Materials following problems: Slow kinetic of H 2 desorption High thermodynamic Stability of Mg. H 2 Surface Oxidation Strategy: Ball milling Create defects Nanocrystalline material Crack of surface Mg. O Introduction of a catalyst/additive Speed up of reaction kinetics Tailoring the microstructure to the desorption process: increase H 2 mobility 50 μm Mg. H 2 splitting of H 2 molecules 10 nm H 2 Mg. H 2 - Mg. H 2 Ni 4, Mg. H 2 – Fe, Mg. H 2 - La. Ni 5 Mg. H 2 – (micro and nano) Nb 2 O 5 EERA Sherpa group meeting - Casaccia - December 2008 Catalyst H 2

Dept. of Advanced Physical Technologies and New Materials Kinetic studies: Best results indicate an onset of the Mg. H 2 decomposition reaction and of Hydrogen release at about 200 °C. Metallographic studies by a specifically designed procedure allow to clarify the role of the catalyst and support the interpretation of kinetics results. Mg Mg. H 2 Catalyst EERA Sherpa group meeting - Casaccia - December 2008

Process simulation by First-principle molecular dynamics Hydrogen desorption at Mg-Mg. H 2 interface Dept. of Advanced Physical Technologies and New Materials Starting configurations Car-Parrinello Molecular Dynamics (CPMD code) technique has been used to build and optimize an Mg. H 2 interface. Hydrogen diffusion has been studied versus temperature. At T= 700 K hydrogen starts the desorption. Mg surface Mg. H 2 surface Interface Hydrogen Magnesium EERA Sherpa group meeting - Casaccia - December 2008

Process simulation by First-principle molecular dynamics Catalytic effects of Fe near of Advanced Physical Technologies and New Materials the interface Dept. Starting configuration of an interface with a Fe atom near the surface. Insertion of one Fe atom increase the H mobility lowering the desorption temperature Fe Catalytic effect of Fe atom in agreement with the recent work EERA Sherpa group meeting - Casaccia - December 2008 Fe

Stabilization of AB 5 alloys against decrittation Dept. of Advanced Physical Technologies and New Materials Embedding in nanoporous matrix allows to combine fast reaction and structural stability H 2 desorption at 100 °C after the first hydriding reaction in H 2/Ar 3% H 2 flux (a. u. ) composite material as received after high energy ball milling time (min) EERA Sherpa group meeting - Casaccia - December 2008 La. Ni 5 in nanoporous Silica

Electrodes for polymeric electrolyte fuel cells based on nanomaterials Dept. of Advanced Physical Technologies and New Materials Purposes ü Materials optimization (Pt catalyst and carbon-based diffusive layer) ü Improvement of the catalyst utilization (localization only on the substrate surface) ü Increase of catalytic activity compared with traditional electrodes The surface morphology of Carbon Nanowalls (high surface area) makes them an ideal template for electrodes allowing both an improvement of the dispersion of the catalyst and a reduction of the loading EERA Sherpa group meeting - Casaccia - December 2008 compared to traditional substrates PVD and ELD techniques allow the deposition of the catalyst clusters on the top of the diffusive layer

CNW as substrate for Polymer Electrolyte Fuel Cells catalyst Dept. of Advanced Physical Technologies and New Materials Pt nanostructured small particles electrodeposited onto electrodes made by carbon nanowalls Pt is the catalyst for the Hydrogen oxidation reaction at the anode in the PEFC EERA Sherpa group meeting - Casaccia - December 2008

Electrochemical activity of nanostructured Pt catalysts Dept. of Advanced Physical Technologies and New Materials Comparison of Electrochemical Active Surface of Pt nanoparticles deposited with different techniques with a commercial catalyst Pt Loading E-TEK 0. 35 mg. Pt cm-2 PED <0. 05 mg. Pt cm-2 PVD <0. 006 mg. Pt cm-2 Mass Specific Activity of Pt nanoparticles electrodeposited on CNW and conventional substrate EERA Sherpa group meeting - Casaccia - December 2008

Trends in PV technologies Dept. of Advanced Physical Technologies and New Materials The growing maturity of silicon technologies puts research on other forms of PV cells in the foreground MW 3500 3000 2500 2000 1500 1000 500 0 25%p. a. 30%p. a. c-Si thin film "New Concepts" 2002 2005 2010 2015 2020 2025 2030 GW 140 120 100 80 60 40 20 0 E. Shaheen et al. Mat. Res. Soc. Bull. 30 -1 (2005) PV literature survey, from: "Progress in PV: research and applications" (gen-nov 2007) EERA Sherpa group meeting - Casaccia - December 2008

Trends and roadmaps for the “new” technologies EERA Sherpa group meeting - Casaccia - December 2008 Dept. of Advanced Physical Technologies and New Materials

Reduced lifetime and efficiency suggest the application of OPV cells to low durability and “throw away” applications Dept. of Advanced Physical Technologies and New Materials EERA Sherpa group meeting - Casaccia - December 2008

Activities in ENEA Dept. of Advanced Physical Technologies and New Materials Research on these devices is currently starting in ENEA. The general frame is to transfer esperiences and know-how on OLEDs to SCs. Preliminary experimental results were obtained on OSCs on PET. SOLAR CELL ON PET Voc=0. 98 Volt; F. F. =. 32 OLED ON PET Quantum Yield EERA Sherpa group meeting - Casaccia - December 2008

How new Solid State Lighting sources can have an impact on energy efficiency in lighting applications Dept. of Advanced Physical Technologies and New Materials Source: OSRAM EERA Sherpa group meeting - Casaccia - December 2008

Specific applications for OLED light sources Dept. of Advanced Physical Technologies and New Materials Source: OSRAM EERA Sherpa group meeting - Casaccia - December 2008

The background of ENEA in OLED technologies Dept. of Advanced Physical Technologies and New Materials Images of devices developed in ENEA (Portici) and of related characterization activities EERA Sherpa group meeting - Casaccia - December 2008

A common target for the two applications: increase know-how in flexible substrate technologies Dept. of Advanced Physical Technologies and New Materials Machine for roll-to-roll OLED production (ENEA specif. ) EERA Sherpa group meeting - Casaccia - December 2008

Information and Communication Technologies Dept. of Advanced Physical Technologies and New Materials Development and maintenance of a high performance computing environment, based on GRID technologies, in order to comply with the requirements of the various research groups in ENEA and to offer high-level computing services to the international scientific community and the industrial system. Activities are mainly focused on: Ø High performance systems for scientific computing and modelling; Ø Computational GRIDs; Ø 3 D visualisation systems; Ø High-bandwidth low-latency connectivity; Ø Technologies for networking and remote operation of complex scientific instruments; Ø Technologies databases; for the management of large, geographically distributed Ø Adaptation/porting of computational codes to innovative platforms. EERA Sherpa group meeting - Casaccia - December 2008 35

GRID – Based Computing Dept. of Advanced Physical Technologies and New Materials DATA ACQUISITION DATA ANALYSIS ADVANCED COMPUTER GRAPHICS NETWORK Cell Centered Data Base “CCDB” IMAGING INSTRUMENTS COMPUTATIONAL RESOURCES EERA Sherpa group meeting - Casaccia - December 2008 MULTI-SCALE DATABASES 36

ENEA-GRID Computational & 3 D Centers Dept. of Advanced Physical Technologies and New Materials Ispra Saluggia S. Teresa 30 BOLOGNA #CPU/Cores CASACCIA 140 FRASCATI 400 PORTICI Manfredonia 2750 90 45 EERA Sherpa group meeting - Casaccia - December 2008 BRINDISI TRISAIA

ENEA-GRID interoperability with other GRIDs Dept. of Advanced Physical Technologies and New Materials ENEA has been developing the “shared proxy” solution EGEE EFDA • Maintain the GRID internal architecture and autonomy • Allow multiplatform impementations • In production on EGEE • In production on GRISU • Required by EFDA for EGEE EERA Sherpa group meeting - Casaccia - December 2008 GARR Other Entities PI 2 S 2

A new HPC centre in Portici Dept. of Advanced Physical Technologies and New Materials Infrastructures: - New HPC centre in Naples with top level computing and storage systems ( ca. 2, 700 CPUs). Currently positioned at n. 125 in TOP 500; - Development of a new class of innovative functions for GRID computing Main applications: - Bioinformatics - Critical infrastructures protection EERA Sherpa group meeting - Casaccia - December 2008 39

Supercomputing: application areas Dept. of Advanced Physical Technologies and New Materials Engineering Nuclear physics and engineering – nuclear fusion Climate and environment Materials Bioinformatics Critical infrastructures protection Combustion EERA Sherpa group meeting - Casaccia - December 2008 40

ENEA-GRID for Industry and Consortia Dept. of Advanced Physical Technologies and New Materials Air flow dynamics and temperature inside new train cars Coll. with CETMA EERA Sherpa group meeting - Casaccia - December 2008

ENEA-GRID for Industry and Consortia Dept. of Advanced Physical Technologies and New Materials Hydrofoil flow simulation EERA Sherpa group meeting - Casaccia - December 2008 Coll. with CETMA

CRESCO for nuclear fusion Dept. of Advanced Physical Technologies and New Materials IB Cresco (20 Tflops peak) EERA Sherpa group meeting - Casaccia - December 2008 System for development and test of computational codes for ITER (1 Tflops peak)

ENEA GRID and experimental facilities Dept. of Advanced Physical Technologies and New Materials DNA Sequencing system (Trisaia) DB 2 ENEA GRID Controlled Nuclear Fusion: Frascati Tokamak Upgrade Video Acquisition CPUS DB 1 WEB ICA SSH DB 3 Electron Microscope (Brindisi) EERA Sherpa group meeting - Casaccia - December 2008 44

Dept. of Advanced Physical Technologies and New Materials Thank you for your attention! fim. enea. it EERA Sherpa group meeting - Casaccia - December 2008 45