Quantifying the differences in properties between polycrystals containing planar and curved grain boundaries
Journal article
Forrest, R.M., Lazar, E.A., Goel, S. and Bean, J.J. (2022). Quantifying the differences in properties between polycrystals containing planar and curved grain boundaries. Nanofabrication. 7, pp. 11-23. https://doi.org/10.37819/nanofab.007.250
| Authors | Forrest, R.M., Lazar, E.A., Goel, S. and Bean, J.J. |
|---|---|
| Abstract | There are several methods in which grain boundaries can be made for the purposes of modelling, but most produce grains which are planar (flat). In this study, we have investigated the difference in materials properties between polycrystalline systems comprised of planar grain boundaries and curved grain boundaries. Several structural and mechanical properties for both systems were determined. For systems with curved grain boundaries, it was found that the elastic moduli are all larger in magnitude, the excess volumes are comparable, and the plastic properties are smaller. In addition, a grain tracking algorithm was used to determine the differences in the numbers of triple junctions detected between polycrystalline systems with planar and curved grain boundaries, this can be theoretically determined and compared to for a simple model system. We find that planar systems of grain boundaries possess significantly more triple junctions than systems of curved grain boundaries by a factor of two. There are also systematic differences between the two types of system when they undergo grain growth, particularly there is an anomalous close packed hexagonal phase which grows in the system of planar grain boundaries. |
| Keywords | MD simulation; polycrystal |
| Year | 2022 |
| Journal | Nanofabrication |
| Journal citation | 7, pp. 11-23 |
| Publisher | De Gruyter |
| ISSN | 2299-680X |
| Digital Object Identifier (DOI) | https://doi.org/10.37819/nanofab.007.250 |
| Web address (URL) | https://eaapublishing.org/journals/index.php/nanofab/about |
| Publication dates | |
| 05 Dec 2022 | |
| Publication process dates | |
| Accepted | 22 Nov 2022 |
| Deposited | 28 Nov 2022 |
| Publisher's version | License File Access Level Open |
| Accepted author manuscript | License File Access Level Controlled |
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Khatri, N., Barkachary, B.M., Muneeswaran, B/, Al-Sayegh, R., Luo, X. and Goel, S. (2020). Surface Defect incorporated Diamond Machining of Silicon. Int J of Extreme Manufacturing. 2 (4). https://doi.org/10.1088/2631-7990/abab4aDistribution of shallow NV centers in diamond revealed by photoluminescence spectroscopy and nanomachining
Jadidi, M.F., Ozer, H.O., Goel, S, Kilpatrick, J.I., McEvoy, N., McCloskey, D., Donegan, J.F. and Cross, G.L.W. (2020). Distribution of shallow NV centers in diamond revealed by photoluminescence spectroscopy and nanomachining. Carbon. 167, pp. 114-121. https://doi.org/10.1016/j.carbon.2020.04.086Elastic recovery of monocrystalline silicon during ultra-fine rotational grinding
Huang, N., Yan, Y., Zhou, P., Kang, R., Guo, D. and Goel, S. (2020). Elastic recovery of monocrystalline silicon during ultra-fine rotational grinding. Precision Engineering. 65, pp. 64-71. https://doi.org/10.1016/j.precisioneng.2020.05.004Resilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic
Goel, S., Hawi, S., Goel, G., Thakur, V.K., Pearce, O., Hoskins, C., Hussain, T., Agrawal, A., Upadhyaya, H., Cross, G. and Barber, A. (2020). Resilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic. Materials Today Chemistry. https://doi.org/10.1016/j.mtchem.2020.100300The Critical Raw Materials in Cutting Tools for Machining Applications: A Review
Goel, S. (2020). The Critical Raw Materials in Cutting Tools for Machining Applications: A Review. Materials MDPI. 13 (1377). https://doi.org/10.3390/ma13061377An experimental study on lap joining of multiple sheets of aluminium alloy (AA 5754) using friction stir spot welding
Goel, S., Zlatanovic DL and Balos S (2020). An experimental study on lap joining of multiple sheets of aluminium alloy (AA 5754) using friction stir spot welding. International Journal of Advanced Manufacturing Technology. 107, pp. 3093-3107. https://doi.org/10.1007/s00170-020-05214-zTowards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy
Kumar D, Goel, S., Gosvami N and Jain J (2020). Towards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy. Materialia. 10, p. 100640. https://doi.org/10.1016/j.mtla.2020.100640Functional evaluation and testing of a newly developed Teleost’s Fish Otolith derived biocomposite coating for healthcare
Goel, S, Montanez, N. D., Carreno, H., Escobar, P., Estupinan, H. A., Pena, D. Y. and Endrino, J. L. (2020). Functional evaluation and testing of a newly developed Teleost’s Fish Otolith derived biocomposite coating for healthcare. Scientific Reports. 10 (1), pp. 1-16. https://doi.org/10.1038/s41598-019-57128-wFused deposition modeling-based additive manufacturing (3D printing): techniques for polymer material systems
Daminabo, S. C., Goel, S, Grammatikos, S. A., Nezhad, H. Y. and Thakur, V. K. (2020). Fused deposition modeling-based additive manufacturing (3D printing): techniques for polymer material systems. Materials Today Chemistry. 16, p. 100248. https://doi.org/10.1016/j.mtchem.2020.100248On the Use of the Theory of Critical Distances with Mesh Control for Fretting Fatigue Lifetime Assessment
Zabala, A., Infante-Garcia, Giner, E., Goel, S., Endrino, J.L. and Llavori, I. (2020). On the Use of the Theory of Critical Distances with Mesh Control for Fretting Fatigue Lifetime Assessment . Tribology International. 142, p. 105985. https://doi.org/https://doi.org/10.1016/j.triboint.2019.105985Benchmarking of several material constitutive models for tribology, wear, and other mechanical deformation simulations of Ti6Al4V
Liu C, Goel S, Llavori I, Stolf P, Giusca CL, Zabala A, Kohlscheen J, Paiva JM, Endrino JL and Veldhuis SC Fox Rabinovich GS (2019). Benchmarking of several material constitutive models for tribology, wear, and other mechanical deformation simulations of Ti6Al4V. Journal of the Mechanical Behavior of Biomedical Materials. 97, pp. 126-137. https://doi.org/10.1016/j.jmbbm.2019.05.013Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining
Hawi, S., Dickins, A., Pardal, G.R., Giusca, C., Pearce, O. and Goel, S. (2019). Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining . euspen’s 19th International Conference & Exhibition, Bilbao, ES, June 2019. Bilbao 03 - 07 Jun 2019 EUSPEN.Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding
Balos, S., Dramicanin, M., Janjatovic, P., Zabunov, I., Pilic, B., Goel, S. and Szutkowska, M. (2019). Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding. Metals. 9 (11), p. 1187. https://doi.org/https://doi.org/10.3390/met9111187The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V
Stolf, P., Paiva, J.M., Ahmed, Y.S., Endrina, J.L., Goel, S. and Veldhuis, S.C. (2019). The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V. Wear. 440-441, p. 203090. https://doi.org/10.1016/j.wear.2019.203090Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron
Goel S, Martinez FD, Chavoshi SZ, Khatri N and Giusca C (2018). Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron. Journal of Micromanufacturing. 1 (1), pp. 6-19. https://doi.org/10.1177/2516598418765359The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data
Goel S, Iñigo Llavori AZ, Giusca C, Veldhuis SC and Endrino JL (2018). The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data. International Journal of Machine Tools and Manufacture. 134, pp. 79-80. https://doi.org/10.1016/j.ijmachtools.2018.07.003Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation
Beake B and Goel, S. (2018). Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation. International Journal of Refractory Metals and Hard Materials. 75, pp. 63-69. https://doi.org/https://doi.org/10.1016/j.ijrmhm.2018.03.020Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten
Goel, S., Cross, G., Stukowski, A., Gamsjager, E., Beake, B. and Agrawal, A. (2018). Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten. Computational Materials Science. 152, pp. 196-210. https://doi.org/https://doi.org/10.1016/j.commatsci.2018.04.044Current trends and future of sequential micro-machining processes on a single machine tool
Chavoshi, S.Z., Goel, S. and Morantz, P. (2017). Current trends and future of sequential micro-machining processes on a single machine tool. Materials & Design. 127, pp. 37-53. https://doi.org/10.1016/j.matdes.2017.04.057Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film
Faisal NH, Prathuru AK, Goel S, Ahmed R, Droubi MG, Beake BD and Fu YQ (2017). Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film. Shape Memory and Superelasticity. 3, pp. 149-167. https://doi.org/10.1007/s40830-017-0099-yAddressing the discrepancy of finding equilibrium melting point of silicon using MD simulations
Chavoshi SZ, Xu S and Goel S (2017). Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. https://doi.org/10.1098/rspa.2017.0084Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation
Chavoshi, S.Z., Goel, S. and Luo, X. (2016). Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation. Journal of Manufacturing Processes. 23, pp. 201-210. https://doi.org/10.1016/j.jmapro.2016.06.009Advances in the surface defect machining (SDM) of hard steels
Rashid, W.B. and Goel, S. (2016). Advances in the surface defect machining (SDM) of hard steels. Journal of Manufacturing Processes. 23, pp. 37-46. https://doi.org/10.1016/j.jmapro.2016.05.007