European Materials Modelling Marketplaces: Digitalisation Innovation Hubs for next generation materials development - The European Materials ...
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EMMC
The European Materials Modelling Council
European Materials Modelling Marketplaces:
Digitalisation Innovation Hubs
for next generation materials development
EMMC
Trends
• Integration of data/information from many more
sources informs new materials and product
development in the future.
• Improved decision making.
• Faster development and certification.
• Delivering on customer and societal needs.
• Better life cycle and end of life management.
• Why?
EMMC
Business value from data
• Moving up the curve
to semantics increases
business value.
• Machine learning and
ontologies are the
enablers.
• Need integration of all
relevant data sources.
• How?
• Artificial Intelligence
and Machine Learning!
https://www.linkedin.com/in/exagolo/
EMMC
Machine Learning
https://www.techleer.com/articles/203‐machine‐learning‐algorithm‐backbone‐of‐
emerging‐technologies/
EMMC
Integration
• Materials Characterisation
(MC) and Materials Modelling
(MM) combined with AI (and MM
MC
semantics!) drive faster
development of materials. AI
• Integration also with other
sources/requirements:
– Safety Materials
– PLM
– Etc
EMMC
Materials Modelling Marketplaces help Closing the
“Innovation Valley of Death”
Materials Modelling Marketplaces and Interoperable
Repositories enable more rapid innovation and provide and
enable a technology transfer platform
The Marketplace will bridge over the Innovation Valley of Death!
Resources
Academic
Innovation Industrial
Application
Level of Development
EMMC
A One‐Stop‐Shop for all your modelling
needs: Materials Modelling Marketplaces
Materials
Modelling
Market‐
places are
true
innovation
hubs
Image curtesy of the MARKETPLACE IA project, GA. No. 760173. © MARKETPLACE
EMMC
Leverage modern information technology
paradigms for digital platforms
• Connect relevant actors and stakeholders with each other and
industry, breaking through geographical and community barriers
• Facilitate collaboration and open information exchange
• Connect materials data repositories to enable Big Data informatics
and analytics on materials (Machine Learning, AI…)
• Accelerate development of materials modelling solutions (ICME…)
Marketplace platforms
boost and provide R&D capabilities to SMEs
that traditionally lack resources to maintain necessary R&D and
especially materials modelling resources
EMMC
State of the art and beyond
• Materials Modelling Marketplaces and interoperable
data repositories are on an important turning point:
• Two IA Marketplaces, testbeds for Characterisation
and Modelling and several disparate repositories
provide strong foundations
• They pave the way for novel next generation
Digitalisation Innovation Hubs in the EU that will
meet the demand of future EU industry
EMMC
Industry Needs: Feedback from all stakeholders to
the EMMC
Feedback from all stakeholders (providers and users)
collected by the EMMC:
Progressively augment Marketplaces and repositories
with services that allow their utilisation
by all application domains and by all stakeholdersEMMC
The Next Level: FP9
Digitalisation
Focus Innovation Hubs are
Area 1 horizontal action to
support the missions
of the Framework
Focus Areas
Materials
Focus Focus
Modelling
Area 4 Area 2
Marketplace
Focus
Area 3EMMC
Digitalisation Innovation Hubs are needed to enable
the digital transformation of European industries
• Sustainable collaboration and integration platforms
• Versatile collaboration platform between all stakeholders
• Efficient information and knowledge management for the benefit of the entire
community
• Integration of knowledge for accelerated targeted materials development
• Deeper integration of databased and physics based modelling
• Enhanced utilisation of data science frameworks
• Development of digital materials twins
• Deeper structure‐property relations of technological materials
• Digital workflows for deep and continuous integration of materials modelling into
product development and manufacturing
• Interoperable repositories of material properties (calculated and measured)
• Integration and harmonisation with experimental characterisation data
• Coupling discrete with system level models
• Integration with production and field data
• Stronger collaboration and open synergy with DGCNECT and e‐INFRASTRUCTUERE
Artificial Intelligence, Machine Learning, Big‐Data and Open Science Cloud initiativesEMMC
Materials Modelling Data and Workflows are products in the
Digital Single Market
Emerging Materials
Modelling Market‐
place are essential
pieces in the DSM
and are the core of
Materials Modelling
Digitalisation Hubs
Source: EC DG CNECTEMMC
Interoperability today …
Today there is still a strong divide between materials modelling done at the discovery and
development stage leading up to so‐called material selection for product development.
We can latch on to the
increasing drive in
leading organisations
to improve the
integration of materials
data and materials
modelling across the
enterprise
Stages of materials and product design. FigRef: David Cebon, Granta Design,
Presentation at EMMC International Workshop, Vienna, 5‐7 April 2017EMMC
Interoperability , the issue …
There are some solutions towards the ability of computer systems or
software to exchange and make use of information, for models to
exchange data and different communities to understand each other!
But these solutions …
• … have been developed with a wide range of different objectives
• … don’t share any common basis in the semantics of materials
modelling
• … lack generality
• … are dependent on adhering to particular formats and metadata
• … often require input by a materials scientist to go across typical
domain boundaries which may be laborious and error proneEMMC
Interoperability, in action …
A big step facilitating interoperability for Physics based models has
been taken recently with a CEN standardisation Workshop Agreement
(CWA) on Terminology, Classification and Metadata for Materials
Modelling.
We are working on the EMMO (European Materials Modelling
Ontology) structure for interoperability and integrationEMMC
Interoperability, the future …EMMC
Interoperability and FP9
We need a framework to build a task force around the EMMO that can
• … work on semantic foundations and standardisation, i.e. build the
EMMO and make it operable
• … drive cross boundary developments that integrate vertical
industries and digital providers
• … get all stakeholders involved, not just materials modelling
• … develop and manage interfaces between different domains and
systems
• … enable data exchange and data ownership and digital trustEMMC
Status in Translation expected by 2020
Establishment of an open translation environment for the optimisation and
development of novel materials and products to link materials modellers with
translators and end–user industry through the integration of modelling into one
coherent and seamless system.
Install a network of modelling testbeds in Europe. Facilitate the exchange of
non‐competitive “know‐how” in modelling technologies which will benefit the
innovative potential of diverse industrial sectors, relevant in both SMEs and in
large corporations.EMMC
Open Translation Environment (OTE)
Open Translation Environment ‐ a platform with:
Search possibilities for all necessary information
Decision mechanism on when to use simulations
Tools to link models and databases
Tools to link Translators with modellers and with industry
Tools to share among Translators (non‐confidential) best and worst practices
Features of the OTE:
Can accommodate commercial, closed source as well as freely available open tools
Considers managing of IP rights, data openness and interoperability
Makes use of the Translators Database and Modelling Market PlaceEMMC
Translation after 2020 (Part I)
• By 2020 a few examples for an Open Translation Environment (OTE) should be in the
process of setting‐up/establishment
• However, to spread it and across Europe and to maintain/update/develop it, there is
need for:
• Supporting actions in the translation activities:
To initiate more OTEs clustered around specific focus areas. For example:
o at different local/national/regional levels
o for different type of industry/application domains
o for different type of materials
To establish a business model for Translation/Translators
• Further development of the OTEs:
To implement modelling as a standard tool for BDSS
To include (tailor‐made) training opportunities for Translators: estimation of the impact of
modelling (e.g. via ROI estimation using KPIs), training for specific translation skills, technical
training etc.EMMC
Translation after 2020 (Part II)
• Further development of the OTEs:
To promote online collaborative tools in OTEs for digital technologies in
the materials and manufacturing industries.
To promote master courses at the University about materials modelling
using OTEs as key tool for materials development, new business models,
use, re‐use and improved life‐cycle management of materials, energy
and resource efficiency.
To promote a cross‐/transversal‐action about materials modelling in the
OTEs, coherently with the main FP9 missions.
To promote knowledge‐based modelling as an effective way to boost
the application of Artificial Intelligence (AI) in materials development
and industrial use.EMMC Model development & Validation after 2020 (Part I)
Industrial end‐user Industrial end‐user
Models: Models:
Equations and Equations and
A materials mat. relations mat. relations Post‐
problem in Simulated processed
need of a Data modelling
solution results
Robust, advanced and mature computationalmodels are needed at every step of
the materials modelling process.
The lack of such reliable models and methods is one of the single most serious
barriers to the full exploitation of materials modelling in European industry.
There is a RESEARCH NEED to create a resource of such models for industry.EMMC Model development & Validation after 2020 (Part II)
R&D investments we make today.
Tomorrow's innovations
There is a need for long‐term research investments in the development of
advanced models and workflows for materials simulatioms, verification and
validation :
• Development of electronic, atomistic, mesoscopic, and continuum models
towards predictive modelliong with new capabilities
• Strategies to join up the methods and models used at different scales and
different granularities, i.e. model interoperability, or Coupling&Linking.
• Model development driven by application targets, e.g. industrial applications.EMMC Model development & Validation after 2020 (Part III)
– but how good are they?
We are entering the era of
• Design of methodologies for model validation and verification are needed, e.g.
design of reliable and systematic procedures for uncertainty quantification in data
resulting from materials modelling .
• Both numerical and systematic errors need to be addressed, and both errors in
models and in workflows.
• Research‐based blind tests and pilot studies could be explored to a larger
degree.
• The relative merits of using machine learning vs. physics‐based models for the
generation (or the analysis) of materials modelling data ought to be explored.
.
Stronger collaboration and open synergy with DGCNECT and e‐INFRASTRUCTUERE Artificial
Intelligence, Machine Learning, Big‐Data and Open Science Cloud initiativesEMMC Professional Software Deployment and FP9
A competitive industry needs professionally
developed, supported and sustainable software
Europe has the opportunity to be a global
leader in the deployment of materials
modelling software provided that it
1. convinces industrial technology leaders of the
value of materials modelling and simulation,
2. fosters the translation between engineering
problems and materials modelling solutions,
3. reinforces the investment in software to balance
the investment in high‐performance computers,
4. accelerates the maturing of academic software
components into professional software
platforms, Courtesy of Materials Design S.A.R.L.
5. recognizes the intellectual and economic value
of software created by European software
developers.EMMC Professional Software Deployment and FP9
Successful deployment, utilisation, and sustainability of
materials modelling is enabled by
enhanced software code quality
increasing efforts in robustness, verification, validation, and
documentation of materials models and related software tools,
Industrially viable license models (whether as freely available
Courtesy of Materials Design S.A.R.L.
codes or proprietary),
supporting professional software development,
combining materials characterisation with materials modelling,
leveraging advances in machine learning, AI, deep learning,
enhanced interoperability in multi‐scale and multi‐model open
integrated simulation platforms,
using materials modelling in process optimisation and systems
engineeringEMMC EMMC-CSA project has received funding from the European Union's Horizon 2020 research and innovation programme, under Grant Agreement No. 723867.
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