Development of a New Technique for Discovering Systematically Hidden Patterns
Abstract
Materials design is still mainly based on the in materials science known concepts and intuition of the experimentalists. Analyzing the conditions that make it possible to search for the in materials science known concepts shows that it was not a new technique, a unique experimental observation, or an abstruse theory which formed the take-off point. It was rather the amassing of a critical volume of experimentally determined data in the literature that permitted an individual with deep insight to perceive an underlying pattern not previously apparent. Extending these facts to a new area of materials design leads to the following four key-points: I) The creation and the use of huge, critically evaluated materials databases which comprehensively covers the published world literature (materials databases). II) Computer-aided reduction of the elemental property parameters and systematic combinations of them to find the relevant 3D-feature sets which qualitatively can link materials properties with the chemical species present (semi-empirical approaches). III) Refinement and optimization of the qualitatively obtained results under II) with the help of neuro-computing leading to quantitative results (neuro-computing). IV) Focusing on predicted, most promising materials systems with the aim to reduce the experimental work for its verification, as well as trying to create a theoretical based explanation for such quantitative results (first principle calculations).
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 14, 1999
- Accession Number
- ADA366111
Entities
People
- Pierre Villars