Electrons to Phases of Magnesium

A brief review of data-driven ICME for intelligently discovering advanced structural metal materials: Insight into atomic and electronic building blocks

“…As shown in Fig. 7, our previous works have comprehensively revealed the electronic and atomic basis for toughening and strengthening of Mg alloys via the interface engineering approach [24,56,67,93,95,99,100]. The local HCP-FCC phase transformations of SFs and LPSOs have been identified theoretically and experimentally by bonding charge density and high-resolution transmission microscope [95], both of which will enable the low-temperature ductility of Mg alloys [67,101].…”

“…The multiscale computational materials science, open source cyber infrastructure for data management, and an integrated approach combining computation and experiments to accelerate the development of advance materials have become three significant research fields [41,42]. Together with the foundations and milestones of MGI/MGE and ICME, the recent progresses emphasizing on the importance of computational materials/ platform/system for the future have been released [24,36,39,40,43]. Materials Genome has been recommended as a set of databases (information) for predicting materials properties of virtual alloy compositions and its response to processing and usage conditions [44].…”

“…The microstates/clusters dominated shear bands or serrations of high-entropy alloys and metallic glasses during deformation are reported [51,54]. On the other hand, "defects at the atomic scale, which are revealed in the electronic structure, affect the macroscopic mechanical properties Figure 2: The proposed data-driven ICME approach [2,24] together with the corresponding foundations and milestones [24,36,39,40].…”

“…For instance, the high-throughput-type and the combinatorial approaches integrating both the bottom-up designing and the top-down engineering set up the digital twin feature of compositionprocessing-structure-property-performance (CPSPP) workflow process at multiscales [17,18,19,20,21,22,23], which is known as the data-driven ICME [2]. The advanced structural metal materials are developed/manufactured crossing multiscales, from Electronics to Phases [24,25], i.e., from Atom to Autos [26], from CALPHAD to Flight [27]. Moreover, to lead the world in scientific and technological innovations, global competitors have launched various strategies/programs and boosted the development of new manufacturing technologies, which include the Materials Genome Initiative (MGI) [28] and the Advanced Manufacturing of United States [29], the China's Materials Genome Engineering (MGE) & Made in China 2025 [30], the European Union's Industry 4.0 Programme [31], the Industry 2050 of United Kingdom [32], the Intelligence Manufacturing System 2020 (IMS2020) & Toward Technology Innovation of Society 5.0 of Japan, the Industry Innovation 3.0 of Korea, and so on [2].…”