23,547 research outputs found
A posteriori metadata from automated provenance tracking: Integration of AiiDA and TCOD
In order to make results of computational scientific research findable,
accessible, interoperable and re-usable, it is necessary to decorate them with
standardised metadata. However, there are a number of technical and practical
challenges that make this process difficult to achieve in practice. Here the
implementation of a protocol is presented to tag crystal structures with their
computed properties, without the need of human intervention to curate the data.
This protocol leverages the capabilities of AiiDA, an open-source platform to
manage and automate scientific computational workflows, and TCOD, an
open-access database storing computed materials properties using a well-defined
and exhaustive ontology. Based on these, the complete procedure to deposit
computed data in the TCOD database is automated. All relevant metadata are
extracted from the full provenance information that AiiDA tracks and stores
automatically while managing the calculations. Such a protocol also enables
reproducibility of scientific data in the field of computational materials
science. As a proof of concept, the AiiDA-TCOD interface is used to deposit 170
theoretical structures together with their computed properties and their full
provenance graphs, consisting in over 4600 AiiDA nodes
Probabilistic Model-Based Safety Analysis
Model-based safety analysis approaches aim at finding critical failure
combinations by analysis of models of the whole system (i.e. software,
hardware, failure modes and environment). The advantage of these methods
compared to traditional approaches is that the analysis of the whole system
gives more precise results. Only few model-based approaches have been applied
to answer quantitative questions in safety analysis, often limited to analysis
of specific failure propagation models, limited types of failure modes or
without system dynamics and behavior, as direct quantitative analysis is uses
large amounts of computing resources. New achievements in the domain of
(probabilistic) model-checking now allow for overcoming this problem.
This paper shows how functional models based on synchronous parallel
semantics, which can be used for system design, implementation and qualitative
safety analysis, can be directly re-used for (model-based) quantitative safety
analysis. Accurate modeling of different types of probabilistic failure
occurrence is shown as well as accurate interpretation of the results of the
analysis. This allows for reliable and expressive assessment of the safety of a
system in early design stages
- …