Computational Materials Science Laboratory

Computational Materials Science Lab

University of Ioannina

Dept. of Materials Science and Engineering

Announcements

CORNET is an ambitious project that aims to develop a unique EU Open Innovation Environment (OIE), that covers the triangle of manufacturing, modelling and experimentation for the optimization the Organic/Large Area Electronic (OE) nanomaterials, materials behavior and nano-devices (OPVs, PPVs, OLEDs) manufacturing of R2R printing & gas transport (OVPD) processes, to validate materials models based on experimentation and fabricate tailored OE devices and systems for demonstration to industrial applications (e.g. automotive, greenhouses). CORNET will develop a sustainable OIE Platform and OIE Database for documentation of citable & industrially accepted protocols for OE material and device characterization, modelling and manufacturing. CORNET strategy will establish strong links and clustering with existing EU clusters (as EMMC, EMCC, EPPN), end-user & industrial associations, and EU networks to increase the speed of OE materials/device development and industry uptake, maximize the acceptance of the OIE and push-through standards for adoption by industry worldwide.

Principal Investigators for University of Ioannina:
E. Lidorikis and D.G. Papageorgiou
Project funded from H2020-NMBP-2017, Proj. No 760949 "CORNET"
(2018-2020)
www.cornet-project.eu

Graphene Flagship

The mission of the Photonics and Optoelectronics group (WP8) in the Graphene Flagship is to develop GRM-based components for photonic and optoelectronic applications, targeting data communications (integrated photonics), flexible photodetectors (PDs), broadband photodetectors and imaging systems, sources (lasers, LEDs), THz technologies and plasmonics. For all of these, graphene and related materials (GRMs) offer distinct advantages compared to existing technologies. WP8 will focus on application areas where GRMs have a distinct uniqueness. All goals (including specifications) are defined after consultation with industrial partners and associated industrial members. Most of the effort is devoted to further developing those technologies that have shown promising performance in the laboratories to a higher level of maturity and to generate demonstrators/prototypes to further engage industry (including largescale investments). New promising directions with higher risk and/or lower TRL but potentially with high impact are also considered.
WP8 will focus on:
- Broadband PDs and CMOS-integrated spectrometers and imaging systems
- Sources: passive and active lasers, LEDs
- Integrated photonics
- Processing technologies for photonics components

Principal Investigator for University of Ioannina:
E. Lidorikis
Project funded from H2020-RIA, Proj. No 785219 "GrapheneCore2"
(2018-2020)
graphene-flagship.eu

COMPLETED PROJECTS

Smart ELECTrodeposited Alloys for environmentally sustainable applications: from advanced protective coatings to micro/nano-robotic platforms (SELECTA)

The SELECTA project is a highly inter-disciplinary initiative which has the primary goal of training young researchers in the field of smart electrodeposited metallic alloys suitable for environmental / sustainable development applications. The Network encompasses the fabrication and in-depth characterization of:
- Innovative protective coatings
- Resilient micro/nanoelectromechanical systems
- Wirelessly actuated micro/nano-robotic platforms for cutting-edge environmental applications.
The project will explore new types of electrodeposited alloys (based on Fe, Cu or Al; free from hazardous and scarce raw elements), with tunable structure (amorphous, nanocrystalline), morphology (dense, nanoporous) and geometry (films, micropillars, nanowires), to meet specific technological demands (high wear/corrosion resistance, superior magnetic properties or hydrophobicity).

Principal Investigators for University of Ioannina:
Ch.E. Lekka
Project funded from H2020 MSCA-ITN Proj. no. 642642 "SELECTA"
(2015-2018)
selecta-etn.eu

Development of smart machines, tools and processes for the precision synthesis of nanomaterials with tailored properties for Organic Electronics (SMARTONICS)

The target of the Smartonics project is the development of Pilot lines that will combine smart technologies with smart nanomaterials for the precision synthesis of Organic Electronic (OE) devices. The Smartonics objectives are:
1.Development of smart Nanomaterials for OEs (polymer & small molecule films, plasmonic NPs and super-barriers) by process and computational modeling optimization.
2.Development of smart Technologies (r2r printing and OVPD machines combined with precision sensing & laser tools and processes).
3.Integration of Nanomaterials & Technologies in Pilot lines for precision synthesis of Nanomaterials & OE devices, optimization, demonstration and evaluation for Industrial applications. Smartonics will develop three Pilot lines: a) OVPD Pilot line equipped with in-line optical sensing tools, b) r2r printing Pilot line, which will combine optical sensing and laser processing tools, and c) s2s Pilot line for the precision fabrication of OE devices (e.g. OLEDs, sensors from state-of-the-art Nanomaterials) and for the evaluation of encapsulation of these devices. The above will be up-scaled in Industrial processes.

Principal Investigators for University of Ioannina:
E. Lidorikis and D.G. Papageorgiou
Project funded from FP7 CP-IP Proj. No 310229 "SMARTONICS"
(2013-2016)
www.smartonics.eu

Theory-guided bottom-up design of low-rigidity Ti-based alloys

The project objective is to develop a computational procedure (from ab-initio towards large scale molecular dynamics simulations) for the investigation and design of low rigidity Ti-based alloys. This project aims in studying and understanding the relations between the mechanical properties and the structure and chemistry of existing and/or proposed β-type Ti-based alloys, goal being the design of new β-type Ti-based alloys. Tasks: a) physical and chemical insight of existing and/or proposed Ti-based systems by means of the prediction of the basic thermodynamic, mechanical and chemical properties based on ab-initio calculations for the crystalline alloys, b) Design of new Ti-based crystalline systems from ab-initio, c) Scale-up to nanocrystalline via modeling of suitable semi-empirical approaches: from total energy and ab-initio computations to interatomic model interactions and large scale parallel Computations and Simulations and d) Simulation into real cases (e.g. β-type and nano-structured Ti-based, as well as glassy alloys) and comparison with the other experimental data.

Principal Investigators for University of Ioannina:
Ch. E. Lekka and D.G. Papageorgiou
Project funded from FP7-PEOPLE-2010-ITN Proj. No 264635 "BioTiNet"
(2011-2014)
www.biotinet.eu