Comprehensive spatial and temporal analysis of internal shear stress τyz, long-range stress area, and continuum FEM morphology & box-size comparisons across Magnesium twin embryos (12 nm to 520 nm) at 0 K under 2% applied shear strain.
Complete benchmark comparison between Atomistic MD, Multiscale CAC, and Finite Element Models (comparing Unstrained vs. Strained morphologies, 2.0 μm vs. 200 nm matrix boxes, and Ideal Diamond shapes).
Direct comparison across Atomistic Virial Stresses, Continuum FEM with Unstrained/Strained morphology in 2.0 μm and 200 nm boxes, and Ideal Diamond analytical benchmarks.
| Twin Model | Length Ltw | Atomistic Virial Stress | FEM Unstrained (2.0 μm Box) | FEM Unstrained (200 nm Box) | FEM Strained (2.0 μm Box) | FEM Strained (200 nm Box) | Ideal Diamond (2.0 μm Box) |
|---|---|---|---|---|---|---|---|
| 12 nm (MD) | 12.0 nm | -175.52 MPa (-0.1755 GPa) | -197.70 MPa | -137.08 MPa | -163.16 MPa | -136.13 MPa | -170.04 MPa |
| 25 nm (MD) | 25.0 nm | -132.05 MPa (-0.1320 GPa) | -182.41 MPa | -126.74 MPa | -148.02 MPa | -126.36 MPa | -170.09 MPa |
| 36 nm (MD) | 36.0 nm | -200.36 MPa (-0.2004 GPa) | -228.25 MPa | -179.47 MPa | -193.51 MPa | -179.04 MPa | -170.16 MPa |
| 50 nm (MD) | 50.0 nm | -188.43 MPa (-0.1884 GPa) | -166.69 MPa | -127.83 MPa | -164.35 MPa | -125.23 MPa | -170.28 MPa |
| 50 nm (CAC) | 50.0 nm | -178.57 MPa (-0.1786 GPa) | -190.74 MPa | - | -155.40 MPa | - | -170.28 MPa |
| 75 nm (CAC) | 75.0 nm | -235.21 MPa (-0.2352 GPa) | -201.70 MPa | - | -167.09 MPa | - | -170.60 MPa |
| 105 nm (CAC) | 105.0 nm | -243.83 MPa (-0.2438 GPa) | -212.43 MPa | - | -177.07 MPa | - | -171.14 MPa |
| 210 nm (CAC) | 210.0 nm | -315.29 MPa (-0.3153 GPa) | -210.47 MPa | - | -175.84 MPa | - | -174.44 MPa |
| 340 nm (CAC) | 340.0 nm | -384.98 MPa (-0.3850 GPa) | -217.17 MPa | - | -183.07 MPa | - | -181.36 MPa |
| 520 nm (CAC) | 520.0 nm | -437.52 MPa (-0.4375 GPa) | -224.70 MPa | - | -191.42 MPa | - | -195.39 MPa |