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

Abstract

Abstract

The Localized Corrosion and Stress Corrosion Cracking of a 6005A-T6 Extrusion Profile

“…In order to comprehensively investigate these aforementioned SCC mechanisms—including the HIE, HEDE, and LAD of the solute-free zones or the GB precipitates—the atomic and electronic bases for the hydrogen-embrittlement-mediated mechanism (i.e., HIE) were revealed by integrating the first-principles calculations [ 4 ] and molecular dynamics simulations [ 35 ], as shown in Figure 10 . Here, first-principles calculations [ 4 ] were used to measure the hydrogen-mediated embrittlement of Al, while molecular dynamics simulations [ 35 ] revealed the effects of hydrogen on the deformation behavior and crack propagation of Al, Al 98 H 2 , and Al 95 H 5 under axial tension at a strain rate of 1 × 10 −9 s −1 . During the tensile plastic deformation, the crack propagation paths (two groups of slip planes in red) of Al follow Schmid’s law, yielding an angle between the tensile force and the slip plane of 45° [ 35 ].…”

“…Here, first-principles calculations [ 4 ] were used to measure the hydrogen-mediated embrittlement of Al, while molecular dynamics simulations [ 35 ] revealed the effects of hydrogen on the deformation behavior and crack propagation of Al, Al 98 H 2 , and Al 95 H 5 under axial tension at a strain rate of 1 × 10 −9 s −1 . During the tensile plastic deformation, the crack propagation paths (two groups of slip planes in red) of Al follow Schmid’s law, yielding an angle between the tensile force and the slip plane of 45° [ 35 ]. Moreover, the dislocations—presented as colored lines different from the blue matrix in Figure 10 a—are also parallel to these two dominant cracking paths, along which there is maximum shear stress in the slip planes.…”

“…With the increasing concentration of H, the dislocation density of the Al matrix is reduced. However, the cracking distance and the thickness of slips are enhanced, indicating the HIE mechanism and the accelerated cracking rate [ 35 ]. By enlarging the atomic radius of H and reducing that of Al, the slip bands enriched with H atoms can be presented clearly, as shown in Figure 10 b.…”

“…However, the cracking distance and the It is worth mentioning that, to date, there is no universal acceptance of any single mechanism to explain the SCC of Al alloys, although many research efforts have been devoted to developing and proving a single explanation for SCC [20]. In order to comprehensively investigate these aforementioned SCC mechanisms-including the HIE, HEDE, and LAD of the solute-free zones or the GB precipitates-the atomic and electronic bases for the hydrogen-embrittlement-mediated mechanism (i.e., HIE) were revealed by integrating the first-principles calculations [4] and molecular dynamics simulations [35], as shown in Figure 10. Here, first-principles calculations [4] were used to measure the hydrogenmediated embrittlement of Al, while molecular dynamics simulations [35] revealed the effects of hydrogen on the deformation behavior and crack propagation of Al, Al 98 H 2 , and Al 95 H 5 under axial tension at a strain rate of 1 × 10 −9 s −1 .…”

“… The atomic and electronic bases for the hydrogen-assisted cracking of Al [ 4 , 35 ]: ( a ) the effect of hydrogen on the deformation behavior and crack propagation of Al, Al 98 H 2 , and Al 95 H 5 under axial tension at a strain rate of 1 × 10 −9 s −1 ; ( b ) the trapped hydrogen-activated crack propagation and slip of Al 98 H 2 presenting a clear contrast by enlarging the atomic radii of H atoms relative to those of Al atoms; ( c ) the trapped hydrogen at the tip of the dislocation; ( d ) the bonding charge density of GB of Al; ( e , f ) hydrogen embrittlement for the tetrahedral and octahedral occupations, respectively, at the GB. The von Mises strain in ( a – c ) was utilized to present the blue–green–red (BGR) gradient colors, with minimum and maximum values of 0.001 and 0.9, respectively.…”