Machine Learning Accelerated First Principles Predictions Of The Stability And Mechanical Properties Of L12 Strengthened Cobalt Based Superalloys
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Machine learning-accelerated first-principles predictions of the stability and mechanical properties of L12-strengthened cobalt-based superalloys
As promising next-generation candidates for applications in aero-engines, L12-strengthened cobalt (Co)-based superalloys have attracted extensive attention. However, the L12 strengthening phase in first-generation Co-Al-W-based superalloys is metastable, and both its solvus temperature and mechanical properties still need improvement. Therefore, it is necessary to discover new L12-strengthened Co-based superalloy systems with a stable L12 phase by exploring the effect of alloying elements on their stability. Traditional first-principles calculations are capable of providing the crystal structure and mechanical properties of the L12 phase doped by transition metals but suffer from low efficiency and relatively high computational costs. The present study combines machine learning (ML) with first-principles calculations to accelerate crystal structure and mechanical property predictions, with the latter providing both the training and validation datasets. Three ML models are established and trained to predict the occupancy of alloying elements in the supercell and the stability and mechanical properties of the L12 phase. The ML predictions are evaluated using first-principles calculations and the accompanying data are used to further refine the ML models. Our ML-accelerated first-principles calculation approach offers more efficient predictions of the crystal structure and mechanical properties for Co-V-Ta- and Co-Al-V-based systems than the traditional counterpart. This approach is applicable to expediting crystal structure and mechanical property calculations and thus the design and discovery of other advanced materials beyond Co-based superalloys.
Fundamentals of Creep in Metals and Alloys
* Numerous line drawings with consistent format and units allow easy comparison of the behavior of a very wide range of materials * Transmission electron micrographs provide a direct insight in the basic microstructure of metals deforming at high temperatures * Extensive literature review of over 1000 references provide an excellent reference document, and a very balanced discussionUnderstanding the strength of materials at a range of temperatures is critically important to a huge number of researchers and practitioners from a wide range of fields and industry sectors including metallurgists, industrial designers, aerospace R&D personnel, and structural engineers. The most up-to date and comprehensive book in the field, Fundamentals of Creep in Metals and Alloys discusses the fundamentals of time-dependent plasticity or creep plasticity in metals, alloys and metallic compounds. This is the first book of its kind that provides broad coverage of a range of materials not just a sub-group such as metallic compounds, superalloys or crystals. As such it presents the most balanced view of creep for all materials scientists. The theory of all of these phenomena are extensively reviewed and analysed in view of an extensive bibliography that includes the most recent publications in the field. All sections of the book have undergone extensive peer review and therefore the reader can be sure they have access to the most up-to-date research, fully interrogated, from the world's leading investigators.· Numerous line drawings with consistent format and units allow easy comparison of the behavior of a very wide range of materials· Transmission electron micrographs provide a direct insight in the basic microstructure of metals deforming at high temperatures· Extensive literature review of over 1000 references provide an excellent reference document, and a very balanced discussion
The Superalloys
Author: Roger C. Reed
language: en
Publisher: Cambridge University Press
Release Date: 2008-07-31
Superalloys are unique high-temperature materials used in gas turbine engines, which display excellent resistance to mechanical and chemical degradation. This book introduces the metallurgical principles which have guided their development. Suitable for graduate students and researchers, it includes exercises and additional resources at www.cambridge.org/9780521859042.