Role of grain boundary character and its evolution on interfacial solute segregation behavior in nanocrystalline Ni-P
Source abstract
Abstract
Abstract Interfacial solute segregation behavior of P in nanocrystalline (NC) Ni alloys is investigated at the atomic scale using cross-correlative PED-APT measurements and atomistic simulations. Inhomogeneous P-segregation in grain boundaries (GBs) of NC Ni is observed from both experimental measurements and simulation calculations. Interfacial excess (IE) of the solute within GBs is further studied as function of GB misorientation. Significant scatter is detected in the IE of boundaries with similar misorientation angles and even within special boundaries with identical Σ values. From atomistic simulations, a general trend of increasing IE with initial GB energy and volume is observed but with poor correlation, indicating that the segregation behavior cannot be captured with a single average measure of the entire GB character. Rather the results suggest that the extent of interfacial solute segregation correlates better with fraction of high energy atomic sites in the boundary. By comparing IE values with thermodynamic model predictions, it is shown that the interfacial segregation behavior is strongly influenced by the energy distribution of atomic sites in the GBs. However, in order to predict the extent of solute segregation, the evolution of the atomic energy landscape in the GB with continuous solute segregation must be considered.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Microstructure and mechanical properties · Advanced Materials Characterization Techniques · Electrodeposition and Electroless Coatings
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (73)
Show source-provided references
1. Mechanical properties of nanocrystalline materials10.1016/j.pmatsci.2005.08.003 ↗
2. A review of fatigue behavior in nanocrystalline metals10.1007/s11340-009-9301-2 ↗
3. Controlling radiation damage10.1126/science.1188088 ↗
4. Nanocrystalline materials
5. Nanostructured materials: basic concepts and microstructure10.1016/S1359-6454(99)00285-2 ↗
6. Thermal stability of nanostructured electrodeposits
7. Unraveling the nature of room temperature grain growth in nanocrystalline materials10.1016/j.actamat.2008.04.051 ↗
8. Thermal stability of nanocrystalline materials: thermodynamics and kinetics10.1080/09506608.2016.1257536 ↗
9. Design of stable nanocrystalline alloys10.1126/science.1224737 ↗
10. Stability of binary nanocrystalline alloys against grain growth and phase separation10.1016/j.actamat.2012.12.033 ↗
11. Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps10.1016/j.commatsci.2013.10.018 ↗
12. Grain boundary segregation and thermodynamically stable binary nanocrystalline alloys10.1103/PhysRevB.79.094112 ↗
13. Reducing grain boundary, dislocation line and vacancy formation energies by solute segregation. I. theoretical background10.1016/j.actamat.2007.05.047 ↗
14. Stabilization of nanocrystalline grain sizes by solute additions10.1007/s10853-008-2870-0 ↗
15. Stabilizing nanocrystalline materials with dopants10.1016/j.actamat.2006.11.028 ↗
16. Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design10.1557/jmr.2013.211 ↗
17. Overview no. 65: theories of normal grain growth in pure single phase systems10.1016/0001-6160(88)90079-X ↗
18. Study of grain growth in electrodeposited nanocrystalline nickel-1.2 wt.% phosphorus alloy10.1016/0921-5093(95)09966-2 ↗
19. Grain boundary segregation, chemical ordering and stability of nanocrystalline alloys: atomistic computer simulations in the Ni–W system10.1016/j.actamat.2007.03.024 ↗
20. Alloy effects in nanostructures10.1016/0965-9773(93)90088-S ↗
21. The impurity-drag effect on grain growth10.1016/0001-6160(68)90035-7 ↗
22. Mechanical properties of stabilized nanocrystalline FCC metals
23. Misorientation dependence of intrinsic grain boundary mobility: simulation and experiment10.1016/S1359-6454(99)00240-2 ↗
24. On misorientation distribution evolution during anisotropic grain growth10.1016/S1359-6454(01)00207-5 ↗
25. Grain boundary energy anisotropy: a review10.1007/s10853-011-5677-3 ↗
26. Anisotropic radiation-induced segregation in 316 L austenitic stainless steel with grain boundary character10.1016/j.actamat.2013.11.060 ↗
27. Phosphorus segregation in nanocrystalline Ni–3.6 at.% P alloy investigated with the tomographic atom probe (TAP)10.1016/S1359-6454(99)00397-3 ↗
28. Nanocrystalline Ni–3.6 at.% P and its transformation sequence studied by atom-probe field-ion microscopy10.1016/S1359-6454(99)00371-7 ↗
29. Solute segregation at grain boundaries10.1007/BF00194704 ↗
30. The segregation of impurities to grain boundaries10.1016/0001-6160(55)90005-5 ↗
31. Structural effects on grain boundary segregation, hardening and fracture
32. Grain boundary hardening and segregation in alpha iron-tin alloy10.1016/0001-6160(80)90135-2 ↗
33. Structure et proprietes mecaniques des joints de grains
34. Misorientation dependence of grain boundary segregation10.1016/0036-9748(78)90300-9 ↗
35. Intergranular corrosion of stainless steels under transpassive conditions : study of silicon segregation in <001> tilt bicrystals
36. Atomic-Scale quantification of grain boundary segregation in nanocrystalline material10.1103/PhysRevLett.112.126103 ↗
37. Phosphorus segregation related to the grain boundary structure in an Fe-P alloy10.1016/0036-9748(81)90175-7 ↗
38. Intergranular segregation and crystallographic parameters of grain boundaries in nickel-sulfur system10.1016/0036-9748(86)90417-5 ↗
39. Grain boundary plane and intergranular segregation in nickel-sulfur system10.1016/0036-9748(87)90184-0 ↗
40. Grain boundary specific segregation in nanocrystalline Fe(cr)10.1038/srep34642 ↗
41. The theory of grain boundary segregation in terms of surface adsorption analogues10.1007/BF02642850 ↗
42. Anisotropy of segregation at grain boundaries and surfaces10.1007/BF02586096 ↗
43. C.L. White, W.A. Coghlan, The Spectrum of Binding Energies Approach to Grain Boundary Segregation, n.d. https://link.springer.com/content/pdf/10.1007/BF02642853.pdf. (accessed July 18, 2019).
44. Relation between grain boundary segregation and grain boundary character in FCC alloys10.1007/s10853-005-2406-9 ↗
45. D.M.-Z.N.T. A, undefined 1959, Grain Boundaries in Metals (A. Seeger), Adsabs.Harvard.Edu. (n.d.). http://adsabs.harvard.edu/abs/1959ZNatA..14...98 M (accessed July 18, 2019).
46. Grain boundary segregation
47. Development of physically based atomistic microstructures: the effect on the mechanical response of polycrystals10.1016/j.commatsci.2016.07.011 ↗
48. Computation of grain boundary stiffness and mobility from boundary fluctuations10.1016/j.actamat.2006.03.037 ↗
49. S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, 1995. http://www.cs.sandia.gov/~sjplimp/main.html. (accessed May 21, 2019).
50. Molecular dynamics simulations of rate-dependent grain growth during the surface indentation of nanocrystalline nickel10.1016/j.msea.2012.08.045 ↗
51. Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool10.1088/0965-0393/18/1/015012 ↗
52. Relating dynamic properties to atomic structure in metallic glasses10.1007/s11837-012-0360-y ↗
53. Equation of state calculations by fast computing machines10.1063/1.1699114 ↗
54. Engler · 2010
55. The structure of high-angle grain boundaries10.1016/0001-6160(66)90168-4 ↗
56. A machine learning approach to model solute grain boundary segregation10.1038/s41524-018-0122-7 ↗
57. Atomistic simulation of grain boundary energetics – Effects of dopants10.1016/j.actamat.2005.04.031 ↗
58. Orientation mapping via precession-enhanced electron diffraction and its applications in materials science10.1007/s11837-013-0799-5 ↗
59. Mapping interfacial excess in atom probe data10.1016/j.ultramic.2015.06.002 ↗
60. Applying computational geometry techniques for advanced feature analysis in atom probe data10.1016/j.ultramic.2013.03.004 ↗
61. SECOND paper on statistics associated with the random disorientation of cubes10.1093/biomet/45.1-2.229 ↗
62. Survey of computed grain boundary properties in face-centered cubic metals: I. grain boundary energy10.1016/j.actamat.2009.04.007 ↗
63. Grain boundary plane orientation fundamental zones and structure-property relationships10.1038/srep15476 ↗
64. “Bulk” nanocrystalline metals: review of the current state of the art and future opportunities for copper and copper alloys10.1007/s11837-014-0978-z ↗
65. Achieving radiation tolerance through non-equilibrium grain boundary structures /639/301/357/537 /639/301/1023 article10.1038/s41598-017-12407-2 ↗
66. Kurtosis: a critical review10.1080/00031305.1988.10475539 ↗
67. D.P. Doane, L.E. Seward, Measuring Skewness: A Forgotten Statistic? 2011. www.amstat.org/publications/jse/v19n2/doane.pdf. (accessed June 30, 2019).10.1080/10691898.2011.11889611 ↗
68. Stability criteria for nanocrystalline alloys10.1016/j.actamat.2017.03.029 ↗
69. Calculation of phase equilibria and evaluation of glass-forming ability of Ni–P alloys10.1016/S0925-8388(98)00826-3 ↗
70. Spectrum of grain boundary segregation energies in a polycrystal10.1016/j.actamat.2019.09.034 ↗
71. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials10.1016/j.jcp.2014.12.018 ↗
72. Discovering the building blocks of atomic systems using machine learning: application to grain boundaries10.1038/s41524-017-0027-x ↗
73. A three-dimensional polyhedral unit model for grain boundary structure in fcc metals10.1038/s41524-017-0016-0 ↗