Electrochemical grand potential-based phase-field simulation of electric field-assisted sintering
Source abstract
Abstract
An electrochemical grand potential functional was proposed to describe the sintering of an ionic ceramic green body. The resultant phase-field description enables simulation of the consolidation of an arbitrary number of granular particles and their interactions with the surrounding void phase. The model includes the effects of charged vacancies and the associated interactions between internal and applied electric fields. Defect segregation to grain boundaries is also accounted for, as well as enhanced interfacial defect mobilities. The model was parameterized for Y 2 O 3 . Simulations of two-particle systems showed that the applied electric field had an increasingly important impact on neck growth as particle size increased. A sudden rapid increase in temperature occurred for larger field strengths, which has been reported to be correlated to the onset of a flash event in flash sintering. Simulations of many particles showed that internal heat generation by Joule heating was localized at particle–particle contacts (grain boundaries), even though their conductivities were lower than nearby internal particle-void interfaces. A percolative path for ionic charge across the green body and the ceramic sintered solid was thus defined, accelerating the Joule heating process as the porosity of the green body is removed.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Advanced ceramic materials synthesis · Glass properties and applications · Nuclear materials and radiation effects
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (77)
Show source-provided references
1. Kang · 2005
2. German · 1996
3. The effects of external fields in ceramic sintering10.1111/jace.16061 ↗
4. Field-assisted sintering technology/spark plasma sintering: Mechanisms, materials, and technology developments10.1002/adem.201300409 ↗
5. Flash sintering of nanograin zirconia in <5 s at 850 degrees C10.1111/j.1551-2916.2010.04089.x ↗
6. Review of flash sintering: Materials, mechanisms and modelling10.1080/17436753.2016.1251051 ↗
7. Consolidation enhancement in spark-plasma sintering: Impact of high heating rates10.1063/1.2822189 ↗
8. A new mechanism for field-assisted processing and flash sintering of materials10.1016/j.scriptamat.2013.02.020 ↗
9. Ultra-fast firing: Effect of heating rate on sintering of 3YSZ, with and without an electric field10.1016/j.jeurceramsoc.2017.01.033 ↗
10. Impact of thermal diffusion on densification during SPS
11. Flash sintering of dielectric nanoparticles as a percolation phenomenon through a softened film10.1063/1.4980853 ↗
12. Influence of externally imposed and internally generated electrical fields on grain growth, diffusional creep, sintering and related phenomena in ceramics10.1111/j.1551-2916.2011.04652.x ↗
13. Joule heating during flash-sintering10.1016/j.jeurceramsoc.2012.02.030 ↗
14. Grain growth model for electric field-assisted processing and flash sintering of materials10.1016/j.scriptamat.2013.01.008 ↗
15. Effect of the applied electric field on the microstructure and electrical properties of flash-sintered 3YSZ ceramics10.1016/j.ceramint.2016.09.065 ↗
16. Flash sintering as a nucleation phenomenon and a model thereof10.1016/j.jeurceramsoc.2014.04.043 ↗
17. Thermodynamically consistent variational principles for charged interfaces10.1016/j.actamat.2020.116525 ↗
18. The theory of electrolytes i. the lowering of the freezing point and related occurrences
19. Space-charge layer and distribution of lattice defects at the surface of ionic crystals10.1063/1.1699148 ↗
20. Charged dislocations and the strength of ionic crystals10.1080/14786435808243228 ↗
21. The theory of crystal rectifiers
22. Note on the contact between a metal and an insulator or semi-conductor10.1017/S0305004100020570 ↗
23. Zur halbleitertheorie der sperrschicht- und spitzengleichrichter10.1007/BF01340116 ↗
24. Sur la constitution de la charge électrique à la surface d’un électrolyte10.1051/jphystap:019100090045700 ↗
25. A contribution to the theory of electrocapillarity10.1080/14786440408634187 ↗
26. Ion conduction and redistribution at grain boundaries in oxide systems10.1016/j.pmatsci.2017.04.009 ↗
27. Numerical calculations of space charge layer effects in nanocrystalline ceria. Part I: Comparison with the analytical models and derivation of improved analytical solutions10.1039/C3CP54615B ↗
28. Interfacial engineering of solid electrolytes
29. Charged interfaces: Electrochemical and mechanical effects10.1039/C7EE03400H ↗
30. Generalized phase field approach for computer simulation of sintering: Incorporation of rigid-body motion10.1016/S1359-6462(99)00179-7 ↗
31. Simulating microstructural evolution and electrical transport in ceramic gas sensors10.1111/j.1151-2916.2000.tb01538.x ↗
32. Phase-field simulation of sintering and related phenomena - A vacancy diffusion approach10.1016/j.actamat.2005.11.005 ↗
33. Computer modeling and simulation of solid-state sintering: A phase field approach10.1016/j.actamat.2005.10.032 ↗
34. Phase field simulations of grain growth during sintering of two unequal-sized particles10.1016/j.msea.2010.08.061 ↗
35. A phase field model of sintering with direction-dependent diffusion10.2320/matertrans.M2011317 ↗
36. Phase field modeling of the effect of porosity on grain growth kinetics in polycrystalline ceramics10.1088/0965-0393/21/6/065005 ↗
37. Phase field simulation of grain growth in porous uranium dioxide10.1016/j.jnucmat.2013.11.036 ↗
38. Phase field modeling for grain growth in porous solids10.1007/s10853-015-9107-9 ↗
39. Abnormal grain growth of UO2 with pores in the final stage of sintering: A phase field study10.1016/j.commatsci.2017.12.057 ↗
40. Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains10.1016/j.commatsci.2020.109963 ↗
41. Phase-field simulation of solid state sintering10.1016/j.actamat.2018.10.021 ↗
42. Development of a microstructural grand potential-based sintering model10.1016/j.commatsci.2019.109288 ↗
43. A study of the evolution of microstructure and consolidation kinetics during sintering using a phase field modeling based approach10.1016/j.eml.2016.02.017 ↗
44. Implementation of a phase field model for simulating evolution of two powder particles representing microstructural changes during sintering10.1007/s10853-017-1846-3 ↗
45. A phase field model of pressure-assisted sintering10.1016/j.jeurceramsoc.2018.09.014 ↗
46. Dynamics of simultaneous ordering and phase-separation and effect of long-range Coulomb interactions10.1103/PhysRevLett.70.1477 ↗
47. Effect of charge separation on the stability of large wavelength fluctuations during spinodal decomposition10.1016/S1359-6454(02)00535-9 ↗
48. Phase field modeling of electrochemistry. I. Equilibrium
49. Charged grain boundary transitions in ionic ceramics for energy applications10.1038/s41524-019-0159-2 ↗
50. Flash sintering incubation kinetics10.1038/s41524-020-00359-7 ↗
51. Modeling of flash sintering of ionic ceramics10.1557/s43577-020-00012-0 ↗
52. Unified derivation of phase-field models for alloy solidification from a grand-potential functional10.1103/PhysRevE.84.031601 ↗
53. Grand-potential-based phase-field model for multiple phases, grains, and chemical components10.1103/PhysRevE.98.023309 ↗
54. Densification of nanocrystalline yttria by low temperature spark plasma sintering10.1111/j.1551-2916.2008.02337.x ↗
55. Densification of nanocrystalline Y2O3 ceramic powder by spark plasma sintering10.1016/j.jeurceramsoc.2008.05.043 ↗
56. Grain growth stagnation in fully dense nanocrystalline Y2O3 by spark plasma sintering10.1016/j.msea.2009.11.009 ↗
57. Low-temperature spark plasma sintering of yttria ceramics with ultrafine grain size10.1111/j.1551-2916.2011.04583.x ↗
58. Densification behaviour and microstructural development in undoped yttria prepared by flash-sintering10.1016/j.jeurceramsoc.2013.10.031 ↗
59. Electrical-conductivity and defect structure of Y2O3 as a function of water-vapor pressure10.1111/j.1151-2916.1984.tb19701.x ↗
60. Disorder-order phase transformation in a fluorite-related oxide thin film: In-situ x-ray diffraction and modelling of the residual stress effects10.1016/j.tsf.2015.08.030 ↗
61. Quantitative analysis of grain boundary properties in a generalized phase field model for grain growth in anisotropic systems10.1103/PhysRevB.78.024113 ↗
62. Thermodynamically consistent variational principles with applications to electrically and magnetically active systems10.1016/j.actamat.2003.08.020 ↗
63. Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study10.1103/PhysRevB.73.104101 ↗
64. High dielectric constant oxides10.1051/epjap:2004206 ↗
65. Two-step sintering of ceramics with constant grain-size, I. Y2O310.1111/j.1551-2916.2005.00763.x ↗
66. Plastic deformation of dense nanocrystalline yttrium oxide at elevated temperatures10.1016/j.jeurceramsoc.2012.04.035 ↗
67. Grain boundary mobility in Y2O3: Defect mechanism and dopant effects10.1111/j.1151-2916.1996.tb07998.x ↗
68. Porter · 1992
69. Moelans Web page · 2023
70. Edwards · 1969
71. Phase transitions and thermodynamic properties of yttria, Y2O3: Inelastic neutron scattering shell model and first-principles calculations10.1103/PhysRevB.84.094301 ↗
72. JANAF thermochemical tables - 3rd edition
73. 2023
74. Modeling and simulation of advanced manufacturing techniques using MOOSE and MALAMUTE
75. 2.0 - MOOSE: Enabling massively parallel multiphysics simulation10.1016/j.softx.2022.101202 ↗
76. Order parameter re-mapping algorithm for 3D phase field model of grain growth using FEM10.1016/j.commatsci.2015.12.042 ↗
77. 2023