Data

How to create a private database in FactSage – A recipe

FactSage databases constitute the largest set of evaluated and optimized thermodynamic databases for inorganic systems in the world [1]. However, in case your system of interest is not (fully) covered by commercial databases, the development of own, i.e. private, databases might be required. This blogpost outlines how you can create a private database in FactSage

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Li2O and P2O5 in the GTOx thermochemical database

GTT's Logo

The GTOx oxide database was developed in-house at GTT-Technologies and in close cooperation with Forschungszentrum Jülich, IEK-2, specially with Elena Yazhenskikh. The thorough literature review  was performed concerning phase diagram information and thermochemical experiments (enthalpies of formation and transformation, component activities, oxygen partial pressures etc.). GTOx includes a description for different combinations of oxides, e.g.

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Calphad Optimizer

The latest FactSage release, FactSage 8.2, comprises a completely new tool to facilitate the development of thermodynamic databases based on the Calphad methodology – the Calphad Optimizer (Figure 1). Figure 1: The new Calphad Optimizer in FactSage 8.2. The goal of database development is to derive a set of self-consistent thermochemical parameters that allow the

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How do I find out if (and where) a certain substance is included in a thermochemical database?

Sometime ago a customer asked me how to find out if Ca2SiO4 is included in a certain database. Since the answer to this question can be really useful for customers in general, I decided to write this blog on the subject. We will define a substance with a defined chemical composition as a chemical species.

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What is the difference between Fact Pure Substances and SGPS databases?

difference between FactSage and SGPS on the periodic table

I have been asked by a potential customer: “Do I need the Fact Pure Substances or SGTE Pure Substances database?” The answer is: It depends. The two databases are both collections of (normally published) thermochemical data. The Fact Pure Substances database FactPS is maintained by our co-developer of FactSage, Thermfact/CRCT, Polytechnique Montreal. It is generally

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Applications of FactSage in the Energy Research

evolution of number of publications of factsage in the energy area

In the scope of a preparation work for a project proposal, a literature research was conducted on the applications of FactSage in the areas of combustion and gasification of fossil and renewable carbon-containing raw materials. The research included not only the important coal- and biomass-based fuels, but also all kinds of carbon-containing industrial and domestic

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Casting Case Study: Refractory-melt interactions

Casting with bottom teeming

In the scope of the collaborative research center SFB 761, von Schweinichen(*) experimentally investigated the chemical interactions between a high manganese steel melt and different refractory materials employed in assembling an adequate casting system. Normally, when casting in an open atmosphere, one expects worse results considering cleanliness for a top pouring process (Figure 1) than

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Understanding Solidification in Selective Laser Melting

Additive manufacturing is definetely a “hot topic” these days. And it is not only hot because of the extreme temperatures needed for processes like Selective Laser Melting (SLM) of molybdenum alloys! SLM of molybdenum alloys deserves attention because it combines a manufacturing process of the future with a material system that has the potential to

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