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5. Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution

6. Precipitates and alloying elements distribution in near α titanium alloy Ti65

9. First-principles study of dopant stability and related optical properties in CdSiP2 crystal

10. Atomic scale modeling of interstitial loop-induced strengthening in nickel

11. Integrated modeling of molar volume of the sigma phase aided by first-principles calculations

12. Origin of the ductile-to-brittle transition of metastable β-titanium alloys: Self-hardening of ω-precipitates

13. Properties of β/ω phase interfaces in Ti and their implications on mechanical properties and ω morphology

14. First-principles investigations ofωvariant selection during athermalβ→ωtransformation of binary Ti-xMo alloy

15. Phase Decomposition and Strengthening in Hfnbtatizr High Entropy Alloy from First-Principles Calculations

16. The surface energy and stress of metals

17. Influence of atomic mixing and atomic order on molar volume of the binary sigma phase

18. Experimental and DFT characterization of interphase boundaries in titanium and the implications for ω-assisted α phase precipitation

19. On the abnormal fast diffusion of solute atoms in α-Ti: A first-principles investigation

20. Mapping deformation mechanisms in lamellar titanium aluminide

21. Strain rate-induced plasticity in bcc β-Ti alloy single crystal micropillars containing brittle ω-precipitates

22. Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys

23. Interaction between Al and other alloying atoms in α-Ti for designing high temperature titanium alloy

24. Twinning pathways in Fe and Fe–Cr alloys from first-principles theory

25. New insights into ω-embrittlement in high misfit metastable β-titanium alloys: Mechanically-driven ω-mediated amorphization

26. Direct observation of solute interstitials and their clusters in Mg alloys

27. Composition-dependent elastic properties in TiNi-Nb from first principle calculations

28. Atomic self-diffusion anisotropy of HCP metals from first-principles calculations

29. CPA descriptions of random Cu-Au alloys in comparison with SQS approach

30. Stacking fault energy of C-alloyed steels: The effect of magnetism

31. Alloying element's substitution in titanium alloy with improved oxidation resistance and enhanced magnetic properties

32. Generalized stacking fault energies and critical resolved shear stresses of random α-Ti-Al alloys from first-principles calculations

33. Influence of lattice distortion on stacking fault energies of CoCrFeNi and Al-CoCrFeNi high entropy alloys

34. Strong deformation anisotropies of ω-precipitates and strengthening mechanisms in Ti-10V-2Fe-3Al alloy micropillars: Precipitates shearing vs precipitates disordering

35. Alloying effects on properties of Al 2 O 3 and TiO 2 in connection with oxidation resistance of TiAl

36. New insights into formation mechanism of interfacial twin boundary ω-phase in metastable β-Ti alloys

37. Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations

38. Phase stability of TiAl-X (X=V, Nb, Ta, Cr, Mo, W, and Mn) alloys

39. Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys

40. {112}〈111〉 Twinning during ω to body-centered cubic transition

41. The effect of Al on the 475 °C embrittlement of Fe–Cr alloys

42. Lattice parameters and relative stability of α″ phase in binary titanium alloys from first-principles calculations

43. Basal-plane stacking fault energy of hexagonal close-packed metals based on the Ising model

44. Theoretical investigations of interstitial atoms in bcc metals: Local lattice distortion and diffusion barrier

45. First-principles investigations of the five-layer modulated martensitic structure in Ni2Mn(Al Ga1−) alloys

46. Strengthening of γ-TiAl-Nb by short-range ordering of point defects

47. Rare earth elements in α-Ti: A first-principles investigation

48. Composition-dependent elastic properties and electronic structures of off-stoichiometric TiNi from first-principles calculations

49. Mechanical properties of structural materials from first-principles

50. Bonding characteristics of micro-alloyed B2 NiAl in relation to site occupancies and phase stability

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