journal article·2022-02Open access

Formation and morphology of closed and porous films grown from grains seeded on substrates: Two-dimensional simulations

Stoffel D. Janssens, David Vázquez-Cortés, Eliot Fried

Acta Materialia· Volume 225

Abstract

Two-dimensional simulations are used to explore topological transitions that occur during the formation of films grown from grains that are seeded on substrates. This is done for a relatively large range of the initial value Φs of the grain surface fraction Φ. The morphology of porous films is captured at the transition when grains connect to form a one-component network using newly developed raster-free algorithms that combine computational geometry and network theory. Further insight on the morphology of porous films and their suspended counterparts is obtained by studying the pore surface fraction Φp, the pore over grain ratio, the pore area distribution, and the contribution of pores of certain chosen areas to Φp. Pinhole survival is evaluated at the transition when film closure occurs using survival function estimates. The morphology of closed films (Φ=1) is also characterized and is quantified by measuring grain areas and perimeters. The majority of investigated quantities are found to depend sensitively on Φs and the long-time persistence of pinholes exhibits critical behavior as a function of Φs. In addition to providing guidelines for designing effective processes for manufacturing thin films and suspended porous films with tailored properties, this work may advance the understanding of continuum percolation theory.
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Research context

OpenAlex topics: Theoretical and Computational Physics · Block Copolymer Self-Assembly · Advanced Mathematical Modeling in Engineering

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References (70)

Show source-provided references
1. Analytical approximation of the percolation threshold for overlapping ellipsoids of revolution10.1098/rspa.2004.1279 ↗
2. Impact of pore distribution characteristics on percolation threshold based on site percolation theory10.1016/j.physa.2021.125800 ↗
3. Principles of the theory of continuum percolation
4. Kinetics of submonolayer and multilayer epitaxial growth10.1016/0040-6090(95)06947-X ↗
5. Grain boundary networks: Scaling laws, preferred cluster structure, and their implications for grain boundary engineering10.1016/j.actamat.2005.05.030 ↗
6. Lattice-based structures for studying percolation in two-dimensional grain networks10.1016/j.actamat.2005.11.012 ↗
7. Sahimi · 1994
8. Percolation in porous media
9. Barabási · 2016
10. Two-dimensional motion of idealized grain boundaries10.1063/1.1722511 ↗
11. A more accurate two-dimensional grain growth algorithm10.1016/j.actamat.2009.09.008 ↗
12. The Voronoi implicit interface method for computing multiphase physics10.1073/pnas.1111557108 ↗
13. Reaction kinetics in processes of nucleation and growth
14. Kinetics of phase change. I General theory10.1063/1.1750380 ↗
15. On the statistical theory of metal crystallization
16. Microstructure development in Kolmogorov, Johnson-Mehl, and Avrami nucleation and growth kinetics10.1103/PhysRevB.60.3104 ↗
17. The Avrami kinetics of dynamic recrystallization10.1016/j.actamat.2009.02.033 ↗
18. Nucleation and growth of orbital ordering10.1038/s41467-020-16004-2 ↗
19. Thin film phase transformation kinetics: From theory to experiment10.1016/j.scriptamat.2016.07.010 ↗
20. Separation of intra- and intergranular magnetotransport properties in nanocrystalline diamond films on the metallic side of the metal–insulator transition10.1088/1367-2630/13/8/083008 ↗
21. On the grain size-thickness correlation for thin films10.1016/j.actamat.2021.116896 ↗
22. Simulation of faceted film growth in two-dimensions: Microstructure, morphology and texture10.1016/S1359-6454(99)00086-5 ↗
23. Large-area high-quality single crystal diamond10.1557/mrs.2014.96 ↗
24. Ultrathin nanocrystalline diamond films with silicon vacancy color centers via seeding by 2 nm detonation nanodiamonds10.1021/acsami.7b14436 ↗
25. Boundary curvature effect on the wrinkling of thin suspended films10.1063/5.0006164 ↗
26. Preparation and behavior of brownish, clear nanodiamond colloids10.1002/adma.200601452 ↗
27. The properties and applications of nanodiamonds10.1038/nnano.2011.209 ↗
28. Block copolymer-nanodiamond coassembly in solution: Towards multifunctional hybrid materials10.1039/D0NR07441A ↗
29. Enhanced diamond nucleation on monodispersed nanocrystalline diamond10.1016/j.cplett.2007.07.091 ↗
30. Spin-seeding approach for diamond growth on large area silicon-wafer substrates10.1002/pssa.201200137 ↗
31. Nanodiamond seeding on plasma-treated tantalum thin films and the role of surface contamination10.1016/j.apsusc.2020.148016 ↗
32. Synthesis of thin films with highly tailored microstructures10.1080/21663831.2018.1471420 ↗
33. Impact of diamond seeding on the microstructural properties and thermal stability of GaN-on-diamond wafers for high-power electronic devices10.1016/j.scriptamat.2016.10.006 ↗
34. Mixed-size diamond seeding for low-thermal-barrier growth of CVD diamond onto GaN and AlN10.1016/j.carbon.2020.05.050 ↗
35. Nanocrystalline diamond-glass platform for the development of three-dimensional micro- and nanodevices10.1016/j.diamond.2019.107511 ↗
36. Numerical model of solid phase transformations governed by nucleation and growth: Microstructure development during isothermal crystallization10.1103/PhysRevB.75.184112 ↗
37. Random and cooperative sequential adsorption10.1103/RevModPhys.65.1281 ↗
38. Random sequential addition of hard spheres in high euclidean dimensions10.1103/PhysRevE.74.061308 ↗
39. Okabe · 2000
40. Gavrilova · 2008
41. Aurenhammer · 2012
42. Random packings and the structure of simple liquids. I. The geometry of random close packing10.1098/rspa.1970.0189 ↗
43. Fundamental physical cellular constraints drive self-organization of tissues10.15252/embj.201592374 ↗
44. Giant hardening response in AlMgZn(Cu) alloys10.1016/j.actamat.2020.116617 ↗
45. Sutton · 1995
46. Grain boundary complexions10.1016/j.actamat.2013.07.037 ↗
47. Growth mechanisms of diamond crystals and films prepared by chemical vapor deposition10.1016/0925-9635(92)90030-R ↗
48. Geometric modeling of homoepitaxial CVD diamond growth: I. The {100}{111}{110}{113} system10.1016/j.jcrysgro.2007.09.044 ↗
49. Voronoi tessellation analysis of sets of randomly placed finite-size spheres10.1016/j.physa.2020.124618 ↗
50. Precise algorithm to generate random sequential addition of hard hyperspheres at saturation10.1103/PhysRevE.88.053312 ↗
51. Boundary conditions in random sequential adsorption10.1088/1742-5468/aab685 ↗
52. Some asymptotic estimates in the random parking problem10.1088/0305-4470/13/6/006 ↗
53. On the shortest spanning subtree of a graph and the traveling salesman problem10.1090/S0002-9939-1956-0078686-7 ↗
54. Generalizing CGAL Periodic Delaunay triangulations
55. The graph-tool python library
56. Array programming with numpy10.1038/s41586-020-2649-2 ↗
57. Powerlaw: A python package for analysis of heavy-tailed distributions10.1371/journal.pone.0085777 ↗
58. The quickhull algorithm for convex hulls10.1145/235815.235821 ↗
59. Statistical distributions of Poisson Voronoi cells in two and three dimensions
60. Percolation and conductivity: A computer study. I10.1103/PhysRevB.10.1421 ↗
61. On the size distribution of Poisson Voronoi cells10.1016/j.physa.2007.07.063 ↗
62. The geometrical properties of irregular two-dimensional Voronoi tessellations10.1080/01418610010032364 ↗
63. Local number fluctuations in hyperuniform and nonhyperuniform systems: Higher-order moments and distribution functions
64. On the homogeneous planar Poisson point process10.1016/0025-5564(70)90061-1 ↗
65. Amorphous topological insulators constructed from random point sets10.1038/s41567-017-0024-5 ↗
66. Disorder suppresses chaos in viscoelastic flows10.1103/PhysRevLett.124.164501 ↗
67. Stagnation points control chaotic fluctuations in viscoelastic porous media flow10.1073/pnas.2111651118 ↗
68. Perspective: Basic understanding of condensed phases of matter via packing models10.1063/1.5036657 ↗
69. Stephenson · 2005
70. Power-law distributions in empirical data10.1137/070710111 ↗