D. G. Pettifor

Bio: D. G. Pettifor is an academic researcher. The author has contributed to research in topics: Tetragonal crystal system. The author has an hindex of 1, co-authored 1 publications receiving 1009 citations.

Theoretical predictions of structure and related properties of intermetallics

Abstract: Recent developments in the use of quantum mechanics to make structural predictions and provide insights at the atomic level are reviewed with respect to intermetallics. In particular, the question is addressed of why some tetragonal D022 trialuminides (e.g. TiAl3) can be stabilised with the cubic L12 structure by alloying additions but others (e.g. NbAl3) cannot, and why, if the cubic phase is stabilised, it remains brittle.MST/1543

Development and exploration of refractory high entropy alloys—A review

Abstract: Open literature publications, in the period from 2010 to the end of January 2018, on refractory high entropy alloys (RHEAs) and refractory complex concentrated alloys (RCCAs) are reviewed. While RHEAs, by original definition, are alloys consisting of five or more principal elements with the concentration of each of these elements between 5 and 35 at.%, RCCAs can contain three or more principal elements and the element concentration can be greater than 35%. The 151 reported RHEAs/RCCAs are analyzed based on their composition, processing methods, microstructures, and phases. Mechanical properties, strengthening and deformation mechanisms, oxidation, and corrosion behavior, as well as tribology, of RHEA/RCCAs are summarized. Unique properties of some of these alloys make them promising candidates for high temperature applications beyond Ni-based superalloys and/or conventional refractory alloys. Methods of development and exploration, future directions of research and development, and potential applications of RHEAs are discussed.

Charting the complete elastic properties of inorganic crystalline compounds

Abstract: The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant tensor, it has been measured for a very small fraction of all known inorganic compounds, a situation that limits the ability of materials scientists to develop new materials with targeted mechanical responses. To address this deficiency, we present here the largest database of calculated elastic properties for inorganic compounds to date. The database currently contains full elastic information for 1,181 inorganic compounds, and this number is growing steadily. The methods used to develop the database are described, as are results of tests that establish the accuracy of the data. In addition, we document the database format and describe the different ways it can be accessed and analyzed in efforts related to materials discovery and design.

Charting the complete elastic properties of inorganic crystalline

Abstract: The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant tensor, it has been measured for a very small fraction of all known inorganic compounds, a situation that limits the ability of materials scientists to develop new materials with targeted mechanical responses. To address this deficiency, we present here the largest database of calculated elastic properties for inorganic compounds to date. The database currently contains full elastic information for 1,181 inorganic compounds, and this number is growing steadily. The methods used to develop the database are described, as are results of tests that establish the accuracy of the data. In addition, we document the database format and describe the different ways it can be accessed and analyzed in efforts related to materials discovery and design.