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The orientation-dependent mechanical behaviors of metallic alloys are governed by deformation mechanisms, but the underlying physics remain to be explored. In this work, the mechanical responses along different orientations and behind the mechanisms of BCC-Fe are investigated by performing molecular dynamic simulations. It is found that the mechanical properties of BCC-Fe exhibit apparent anisotropic characteristics. The <100>-oriented BCC-Fe presents a Young's modulus of E = 147.56 GPa, a strength of σy = 10.15 GPa, and a plastic strain of εy = 0.084 at the yield point, whereas the <111> orientation presents E = 244.84 GPa, σy = 27.57 GPa, and εy = 0.21. Based on classical dislocation theory, the reasons for such orientation-dependent mechanical behaviors are analyzed from the perspective of thermo-kinetic synergy upon deformation. It turns out that the anisotropic mechanical responses of BCC-Fe are associated with the magnitude of the thermodynamic driving force (ΔG) and kinetic energy barrier (Q) for dislocation motion, which dominate the corresponding deformation mechanism. Compared with the low ΔG (6.395 GPa) and high Q (11.95 KJ/mol) of the <100>-oriented BCC-Fe dominated by deformation twinning, the <111> orientation governed by dislocation slip presents a high ΔG (17.37 GPa) and low Q (6.45 KJ/mol). Accordingly, the orientation-dependent deformation behaviors of BCC-Fe are derived from the thermo-kinetic synergy for dislocation motion. [ABSTRACT FROM AUTHOR]

Convection has a nonnegligible effect on the growth of the magnesium dendrite with six-primary-branch pattern. Most work, however, investigates the effect of the convection by simplifying the melt flow as a constant horizontal flow. In this work, four convection behaviors, including equally distributed convection, linearly distributed convection, sinusoidal-wave convection, and square-wave convection, are imposed and simulated through the phase-field lattice-Boltzmann schemes. The effects of constant (the former two) and altering (the latter two) flow fields are quantified by the length ratio of the upstream primary arm to the downstream one. The results show that the dendrite asymmetry increases under the constant forced convections but presents nonmonotonic change under the altering convections. A simple mathematical relation is fitted to summarize the dependence of the dendrite asymmetry on the input velocity, the undercooling, and the flow frequency. Deep understanding of the convection effects can guide the prediction and control of the magnesium dendrite under more complex situations. [ABSTRACT FROM AUTHOR]