Sign up for Gerhard’s webinar hosted by Materials Square

On 30 April at 1–2 pm (BST), Gerhard will be presenting this month’s webinar hosted by Materials Square.

The presentation, entitled “How is materials modeling working for the industry?”, will discuss the role of and challenges for materials modeling in supporting the industry in its quest to respond to complex challenges, such as increased sustainability and digitalization.

Although materials modeling combines well with powerful data-driven techniques, its full potential is not always understood throughout organisations. So, the focus will be on market trends and the need for integration of materials modeling in digitalisation initiatives.

The Materials Square webinar series is free to attend – Register here to reserve your place

Materials Square is a web-based materials simulation platform for research and development managed by Virtual Lab Inc. based in Seoul, South Korea.

 

 

OntoTrans M48 consortium meeting in Freiburg, Germany

The OntoTrans consortium M48 meeting is underway in Freiburg, Germany in which GCL is a partner organisation. The meeting will run 19–20 March 2024.

Fraunhofer IWM, a partner organisation in the project, is our venue for this hybrid event with all project partners coming together to discuss the great progress made during the project and to finalise plans as the project enters its last months.

The OntoTrans project work to provide an ontology-based 0pen translation environment to benefit existing and emerging developments in materials research and manufacturing.

Front aspect of Fraunhofer IWM, Freiburg, Germany

Fraunhofer IWM, Freiburg, Germany.
Credit: Vikki Cantrill, GCL

The front aspect of Fraunhofer IWM, Freiburg, Germany

Fraunhofer IWM, Freiburg, Germany.
Credit: Vikki Cantrill, GCL

Image of people sat in a meeting at Fraunhofer IWM, Freiburg, Germany.

Meeting at Fraunhofer IWM, Freiburg, Germany.
Credit: Vikki Cantrill, GCL

Thank you to our project coordinators, Technische Universitaet Wien, and Fraunhofer IWM for organising the consortium meeting and discussion sessions. Photo credits to Vikki Cantrill.

A photo of a introductory slide from a presentation for a NanoMECommons review meeting event 18 January 2024, Madrid

Harmonising materials modelling and characterisation

Outcomes from two current EU-funded projects that Goldbeck Consulting are involved in — NanoMECommons and OntoTrans — have been presented and discussed with attendees as part of a joint NMBP-35 workshop in Madrid.

The NMBP-35 workshop, combined under the umbrella of the European Materials Characterisation Council (EMCC) and European Materials Modelling Council (EMMC), formed part of a broader, 3-day meeting that incorporated a general assembly and a project review meeting for NanoMECommons.

A photo of Pierluigi Del Nostro and Georgios Konstantopoulos sat hosting an event at the NanoMECommons review meeting 18 January 2024, Madrid.

There was significant interest from the community in improved data and knowledge management, harmonising materials modelling and characterisation.

With numerous projects, both old and new, actively using the characterisation data standard for materials, CHADA, and the template for the standardised description of materials modelling, MODA, we look forward to continued strong collaborations in the context of EMCC and EMMC.

Supported by the NanoMECommons project, we will work together to shape a new CEN Workshop Agreement for updating CHADA and MODA based on recent ontology developments.

 

Logo of the Horizon Europe programme. A picture of the EU flag.

Announcing the BatCAT project

BatCAT is a new research and innovation project funded by the EU’s Horizon Europe programme that will run until June 2027.

The project aims to create a digital twin for battery manufacturing by developing a cross-chemistry data space for two technologies: Li-ion and Li-S coin cells and redox flow batteries.

Here at GCL, we are excited to be leading the work package on communication, dissemination and exploitation and contributing to physics-based modelling and ontologies.

The project is a large collaboration between 18 partner organisations from 9 European countries, coordinated by NMBU (Norwegian University of Life Sciences).

We look forward to working on this innovative and sustainable initiative.

Read more in an announcement from our partners at Luxembourg Institute of Science and Technology.

 

Abstracts invited for MSE Congress 2024

The Materials Science and Engineering (MSE) Congress 2024 will take place 24–26 September 2024 in Darmstadt, Germany and online. The scientific program features world-renowned experts and aspiring researchers alike.

The congress will cover numerous topics including biomaterials; characterisation; digital transformation; functional materials; surfaces and devices; circular materials; modelling and simulation; processing and synthesis; and structural materials.

Gerhard will be co-chairing a special symposium entitled “Digital materials: Experiments, simulation workflows, ontologies, and interoperability”.

Abstracts for talks are invited for submission by 31 January 2024.

 

 

Ontology and Philosophy

Ontologies have their origins in philosophy, going back to Aristotle. However, they have made somewhat in recent decades, not least due to the emergence of the semantic web and related applications in knowledge management, whether in sciences, engineering or business and finance.  If you ever wondered how philosophy is still highly relevant, if not crucial, to creating good ontologies, here is a short post for you, thanks to Oskar Holtz, a second year UCL Philosophy student who joined us as a summer intern.

Poached eggs

How to boil an egg

Today I asked ChatGPT to explain to a robot how to boil an egg. After a brief pause, the Natural Language Processing model replied.

Here is a step-by-step explanation for a robot on how to boil an egg:

  1. Fill a saucepan with enough water to cover the eggs by about one inch.
  2. Place the saucepan on a stove and turn on the heat to high.
  3.  Use a temperature sensor to monitor the water temperature.
  4. Once the water reaches a boiling point (212°F or 100°C), carefully place the eggs in the boiling water using a mechanical arm or gripper.
  5. Set a timer for 4-9 minutes depending on the desired level of doneness (soft-boiled 4-5 minutes, medium-boiled 6-7 minutes, hard-boiled 8-9 minutes).
  6. Once the timer goes off, use a mechanical arm or gripper to remove the eggs from the boiling water and place them into a bowl filled with cold water.
  7. Use a timer to let the eggs sit in the cold water for a few minutes, then remove the eggs from the water.
  8. Gently crack the shells and peel them off, starting from the large end.

Note: It is important for the robot to have a mechanism for handling hot objects, such as heat-resistant gloves or tongs, to ensure the safety of the eggs and the robot.

Impressive as it certainly sounds, the description above is still too vague. Suppose we had a robot sophisticated enough to handle the operations described before. Will it be able to boil an egg? As humans, we understand perfectly the context and materials involved in the process. But what exactly is an egg? We have no doubt that a chicken’s egg will do the job, but so would a duck’s or goose’s egg. What about turtle’s eggs? They are indeed collected and eaten in certain parts of the world. Also, how does the stove operate? Depending on whether it uses gas, electricity or wood, there are additional constraints on the material the saucepan is made of. For instance, one made of aluminium won’t work on a modern induction stovetop.

These may sound like unnecessary complications to an otherwise simple and straightforward process. But even if these robots are not yet among us, something similar already exists. They are swarms of programs sieving the internet for content and meaning. We call them by the somewhat sinister name of “agents”. These agents interact with the Semantic Web, a technology that represents information in a manner that makes it easier for computers to understand and process.
One of the most apparent and defining services built on top of semantic web technologies is recommendation systems, such as those used by Netflix or Amazon, which make accurate recommendations based on the relationships between users, items, and context.

Ontologies are a crucial component of the semantic web, providing a common vocabulary and a shared understanding of concepts and relationships in a particular knowledge domain. In the semantic web context, an ontology is a machine-readable representation of knowledge expressed as a set of classes (or concepts) with relations operating between them. Ontologies have been used to unify the representation of gene and gene product attributes in molecular biology (Gene Ontology / GO); to describe things that are of interest in financial business applications and the ways that those things can relate to one another (Financial Industry Business Ontology / FIBO); or to enable interoperability between devices from different providers and among various activity sectors in the Internet of Things (Smart Applications REFerence ontology / SAREF), just to name a few examples.

In the field of applied sciences, the Elementary Multiperspective Material Ontology (EMMO) is a foundation (or top-level) ontology providing a common starting point for defining domain-specific and application ontologies. The EMMO is based on analytical philosophy and scientific principles. In particular, real world objects are represented in EMMO by different ways (perspectives) of understanding them. Perspectives are an expression of reductionism (i.e. objects are made of sub-objects) and epistemological pluralism (i.e. objects are always defined according to the perspective of an interpreter).  Furthermore, the way in which objects relate to each other is founded on principles of mereology (parthood) and causality.

To demonstrate the flexibility and expressivity of the EMMO, let us try to describe the process of boiling an egg using two different perspectives. From a strict process engineering point of view, it makes sense to use the Reductionistic perspective to decompose the process of boiling an egg (the “whole”) into steps that are causally connected in space and time. The process can be expressed as a workflow of causally-connected events (tiles), thus defining a beginning, the intermediate steps, and an end. At the same time, properties can be attached to each of the objects by using the Semiotic perspective. That way, the process can be fully characterised in terms of any known or observed physical quantities such as the mass of the objects, their temperature throughout the process, the inertia moment of the egg before and after being boiled, etc. To describe the materials involved, the Physicalistic perspective allows looking at the egg as a complex material. The egg is encased in a solid crust made of an inorganic salt embedded in an organic matrix. Boiling the egg then transforms the microscopic structure of the proteins in the egg’s white and yolk, turning them from a gel to a solid. These descriptions fulfil different purposes and are by no means the only possible ones. For example, another (Holistic) perspective would be to consider the egg’s role as food.

The power of ontologies resides in their ability to capture different requirements and levels of detail. On top of that, EMMO offers foundational rules based on physical principles and aims to provide a unified framework that supports the pluralisms of our observations and understanding and enables interoperability between the many different applications of material science.

Goldbeck Consulting is part of the development team of the EMMO. It is working on European projects ranging from connecting data sources to manufacturing processes to describing and deploying materials modelling workflows into open platforms.

Ontocommons

What is a Translator in Knowledge Management

Current divisions in disciplines and data silos mean that there is a huge untapped value not just in terms of ‘lost’ data but also stakeholder knowledge, which currently is not well captured. The role of the Knowledge Management Translator is to work with materials and manufacturing domain experts as well as data scientists and knowledge engineers to shape data in order to express knowledge. The job of the Knowledge Management Translator is to bring together and orchestrate people, tools, and processes to achieve this.

Supported by the European H2020 OntoCommons project, a range of authors, representing the knowledge management translation ecosystem, got together and discussed the role in workshops and produced a paper outlining the role, including a structured approach to Knowledge Management Translation, as a process broken down into six steps.

Three priorities of data-driven development of advanced materials: Generate, Dcoument, Access and interrogate data and knowledge

Materials 2030 Roadmap draft published

A wide range of stakeholders in Europe are elaborating a roadmap for “a strong European Materials ecosystem driving the green and digital transition”. We are pleased to have contributed together with EMMC to Part I – Advanced materials – from vision to mission and action and the cross-cutting challenges. In particular, the roadmap proposes future actions to accelerate digitalisation of materials and product innovation highlighting three priorities:
1) Generating new data and knowledge: Develop digital and innovative methodologies for generating materials data and knowledge, including modelling, characterisation, production and testing technologies
2) Documenting data and knowledge: Develop and disseminate a common (standardized) language (ontology) for data exchange and knowledge management
3) Accessing and interogating data and knowledge: Provide reliable and easy access to and interrogation of generated data/information/knowledge
for all stakeholders
.

Goldbeck Consulting is involved in a range of projects supporting these actions, in particular in the areas of modelling, characterisation and ontologies.

Open Innovation Environments and their Importance in Materials Modelling and Materials Characterisation

Together with partners from the European H2020 OYSTER Open Innovation Environment (OIE) project, we put together a White Paper with some historical context to the development of Open Innovation and make the case that OIE and similar platform technologies are key enablers of open innovation in complex research fields such as materials science. They provide possibilities for participating in a wider Innovation Network Ecosystem involving all stakeholders from citizen to corporation. Thanks to Cambridge Nanomaterials Technology for their contribution.