The electronic origin of strengthening and ductilizing magnesium by solid solutes
Source abstract
Abstract
Abstract Electron work function (EWF) is a simple and fundamental parameter which largely reflects or characterizes the behavior of electrons in metals. This parameter can be used to guide the selection of solutes for effective modification of mechanical properties of Mg, an important metal for lightweight materials. From our prediction, adding solutes with EWFs lower than that of Mg can improve both strength and ductility of Mg, while adding elements with higher EWFs results in higher strength but lowered ductility. This study reveals the electronic origin of such influences of solutes on the strength and ductility of Mg and suggests an EWF-based principle or law for selecting appropriate solutes to achieve the optimal combination of strength and ductility for advanced Mg alloys.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Magnesium Alloys: Properties and Applications · Aluminum Alloys Composites Properties · Hydrogen Storage and Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (49)
Show source-provided references
1. Gupta · 2011
2. Weight loss with magnesium alloys10.1126/science.1182848 ↗
3. Effective values of critical resolved shear stress for slip in polycrystalline magnesium and other hcp metals10.1016/j.scriptamat.2010.05.047 ↗
4. Measuring the critical resolved shear stresses in Mg alloys by instrumented nanoindentation10.1016/j.actamat.2014.03.014 ↗
5. Slip, twinning, and fracture in hexagonal close-packed metals10.1007/BF02648537 ↗
6. First-principles data for solid-solution strengthening of magnesium: from geometry and chemistry to properties10.1016/j.actamat.2010.06.045 ↗
7. On the role of non-basal deformation mechanisms for the ductility of Mg and Mg–Y alloys10.1016/j.actamat.2010.08.031 ↗
8. Prediction of thermal cross-slip stress in magnesium alloys from direct first-principles data10.1016/j.actamat.2011.05.040 ↗
9. The relation between ductility and stacking fault energies in Mg and Mg–Y alloys10.1016/j.actamat.2012.02.006 ↗
10. Prediction of thermal cross-slip stress in magnesium alloys from a geometric interaction model10.1016/j.actamat.2012.01.004 ↗
11. Periodic segregation of solute atoms in fully coherent twin boundaries10.1126/science.1229369 ↗
12. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties10.1016/j.actamat.2014.02.011 ↗
13. Generalized stacking fault energy, ideal strength and twinnability of dilute Mg-based alloys: a first-principles study of shear deformation10.1016/j.actamat.2013.12.019 ↗
14. First-principles simulations of plasticity in body-centered-cubic magnesium–lithium alloys10.1016/j.actamat.2013.10.030 ↗
15. Improved plastic anisotropy of Mg–Zn–Ca alloys exhibiting high-stretch formability: a first-principles study10.1016/j.actamat.2013.10.063 ↗
16. 100years of work function
17. Generic relation between the electron work function and Young’s modulus of metals10.1063/1.3614475 ↗
18. Dependence of the mechanical behavior of alloys on their electron work function—an alternative parameter for materials design10.1063/1.4852675 ↗
19. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
20. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
21. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
22. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
23. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
24. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
25. The structure and the properties of S-phase in AlCuMg alloys10.1016/j.actamat.2011.08.009 ↗
26. R.L. Fleischer, in: P. Donald (Ed.), The Strengthening of Metals, 1964, p. 93.
27. Hirth · 1982
28. Solid solution hardening in Mg–Cd single crystals10.1002/pssa.2211310212 ↗
29. Solution hardening of magnesium single crystals by tin at room temperature10.1016/0001-6160(69)90026-1 ↗
30. Solid solution strengthening of magnesium single crystals—I alloying behaviour in basal slip10.1016/0001-6160(69)90151-5 ↗
31. On the flow stress of α solid solution Mg–Li alloy single crystals10.2320/matertrans1960.4.134 ↗
32. Solid solution strengthening of magnesium single crystals at room temperature
33. Substitutional solution hardening of magnesium single crystals10.1080/14786437208229311 ↗
34. Electron microscopic investigation of prismatic slip in Mg–10.5at.% Li single crystals10.1016/0001-6160(70)90072-6 ↗
35. Gilman · 2003
36. Non-basal slip systems in HCP metals and alloys: source mechanisms10.1016/S0921-5093(01)01027-9 ↗
37. Nonbasal deformation modes of HCP metals and alloys: role of dislocation source and mobility10.1007/s11661-002-0150-1 ↗
38. 6 – Dislocations in other crystal structures
39. Stacking-fault energies in semiconductors from first-principles calculations10.1088/0022-3719/20/32/001 ↗
40. Alloying effects on the stacking fault energy in austenitic stainless steels from first-principles theory10.1016/j.actamat.2006.04.013 ↗
41. First-principles calculations of twin-boundary and stacking-fault energies in magnesium10.1016/j.scriptamat.2010.01.014 ↗
42. Solute effect on the 〈c+a〉 dislocation nucleation mechanism in magnesium10.1016/j.actamat.2014.04.058 ↗
43. Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys10.1088/1367-2630/15/4/043020 ↗
44. Ab-initio study of the effect of rare-earth elements on the stacking faults of Mg solid solutions10.1016/j.intermet.2012.04.015 ↗
45. Twin–twin interactions in magnesium10.1016/j.actamat.2014.05.030 ↗
46. High strength, nano-structured Mg–Al–Zn alloy10.1016/j.msea.2010.11.073 ↗
47. Deformation twinning in a nanocrystalline hcp Mg alloy10.1016/j.scriptamat.2010.10.024 ↗
48. Stability of polyatomic molecules in degenerate electronic states. I. Orbital degeneracy
49. Magnesium – Alloys and Technology10.1002/3527602046 ↗