Different trends in surface atomic preference during the heating and melting process of Fe–Ni-Cr-Co–Cu high-entropy alloy nanoparticles: a molecular dynamics simulation study
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OpenAlex topics: High Entropy Alloys Studies · High-Temperature Coating Behaviors · nanoparticles nucleation surface interactions
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References (24)
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1. Dong B, Chen L, Wu Z, Jie J (2025) Novel insight into the microstructure evolution and defect formation of nano-polycrystalline CoCrFeNi HEA during vacuum hot-pressing sintering(VHPS). J Mater Res Technol 34:1671–1681. https://doi.org/10.1016/j.jmrt.2024.12.12610.1016/j.jmrt.2024.12.126 ↗
2. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics [J]. J Comput Phys 117(1):1–19. https://doi.org/10.1006/jcph.1995.103910.1006/jcph.1995.1039 ↗
3. Zhang Y, Jiang S, Wang M (2020) Atomistic investigation on superelasticity of NiTi shape memory alloy with complex microstructures based on molecular dynamics simulation. Int J Plast 125:27–51. https://doi.org/10.1016/j.ijplas.2019.09.00110.1016/j.ijplas.2019.09.001 ↗
4. Ju SP, Lee IJ, Chen HY (2020) Melting mechanism of Pt–Pd–Rh–Co high entropy alloy nanoparticle: an insight from molecular dynamics simulation [J]. J Alloy Compd 858:157681. https://doi.org/10.1016/j.jallcom.2020.15768110.1016/j.jallcom.2020.157681 ↗
5. Al ZW, Putri RAK, Abukhadra MR et al. (2023) Recent experimental and theoretical advances in the design and science of high-entropy alloy nanoparticles [J]. Nano Energy 11010.1016/j.nanoen.2023.108362 ↗
6. Ji P, Wang Z, Mu Y et al. (2022) Microstructural evolution of (FeCoNi)85.84al7.07ti7.09 high-entropy alloy fabricated by an optimized selective laser melting process [J]. SSRN Electron J. https://doi.org/10.2139/ssrn.415487710.2139/ssrn.4154877 ↗
7. Wang H, Zhu ZG, Chen H et al (2020) Effect of cyclic rapid thermal loadings on the microstructural evolution of a CrMnFeCoNi high-entropy alloy manufactured by selective laser melting [J]. Acta Mater 196:609–625. https://doi.org/10.1016/j.actamat.2020.07.00610.1016/j.actamat.2020.07.006 ↗
8. Chen W, Fu Z, Fang S et al (2013) Alloying behavior, microstructure and mechanical properties in a FeNiCrCo0.3Al0.7 high entropy alloy. Mater Des 51:854–860. https://doi.org/10.1016/j.matdes.2013.04.06110.1016/j.matdes.2013.04.061 ↗
9. Yuan Y, Wang JJ, Wei J et al (2024) Cu alloying enables superior strength-ductility combination and high corrosion resistance of FeMnCoCr high entropy alloy [J]. J Alloys Compd. https://doi.org/10.1016/j.jallcom.2023.17254310.1016/j.jallcom.2023.172543 ↗
10. Khare KS, Khare R (2012) Directed diffusion approach for preparing atomistic models of crosslinked epoxy for use in molecular simulations. Macromol Theory Simul 21(5):322–327. https://doi.org/10.1002/mats.20110011910.1002/mats.201100119 ↗
11. Thompson AP, Aktulga HM, Berger R, Bolintineanu DS, Brown WM, Crozier PS, in ’t Veld PJ, Kohlmeyer A, Moore SG, Nguyen TD, Shan R, Stevens MJ, Tranchida J, Trott C, Plimpton SJ (2022) LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput Phys Commun 271:108171. 10.1016/j. cpc.2021.10817110.1016/j.cpc.2021.108171 ↗
12. Deluigi OR, Pasianot RC, Valencia FJ, Caro A, Farkas D, Bringa EM (2021) Simulations of primary damage in a high entropy alloy: probing enhanced radiation resistance. Acta Mater 213:116951. https://doi.org/10.1016/j.actamat.2021.11695110.1016/j.actamat.2021.116951 ↗
13. Exploring thermophysical properties of CoCrFeNiCu high entropy alloy via molecular dynamics simulations, Liu, Fan et al. Heliyon, 10(16):e3606410.1016/j.heliyon.2024.e36064 ↗
14. Vermale A, Khelladi L, Rojas-Nunez J et al. (2024) Atomistic study of CoCrCuFeNi high entropy alloy nanoparticles: role of chemical complexity [J]. J Mol Graph Modell 130. https://doi.org/10.1016/j.jmgm.2024.10877610.1016/j.jmgm.2024.108776 ↗
15. B Z Z A , A J Z , B X Z et al. (2019) Thermal stability of Al-Cu-Fe-Cr-Ni high entropy alloy bulk and nanoparticle structure: a molecular dynamics perspective – ScienceDirect [J]. Chemical Phys 517:126–130. https://doi.org/10.1016/j.chemphys.2018.10.00910.1016/j.chemphys.2018.10.009 ↗
16. Xie L, Wu GD, Liaw PK, Wang WR, Li DY, Peng Q, Zhang J, Zhang Y (2024) Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: atomic insights from molecular dynamics simulations. Comput Mater Sci 231:112538. https://doi.org/10.1016/j.commatsci.2023.11253810.1016/j.commatsci.2023.112538 ↗
17. Song Z, Luo W, Fan X, Zhu Y (2022) Atomic fast dynamic motion on the Cu nanoparticle’s surface before melting: a molecular dynamics study. Appl Surf Sci 606:154901. https://doi.org/10.1016/j.apsusc.2022.15490110.1016/j.apsusc.2022.154901 ↗
18. Denis J, Evans B et al. (1985) The Nose–Hoover thermostat [J]. J Chem Phys 83. https://doi.org/10.1063/1.44907110.1063/1.449071 ↗
19. Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool [J]. Modell Simul Mater Sci Eng 18(1):2154–2162. https://doi.org/10.1088/0965-0393/18/1/01501210.1088/0965-0393/18/1/015012 ↗
20. Mao A, Xiang H, Ran X, Li Y, Jin X, Yu H, Gu X (2019) Plasma arc discharge synthesis of multicomponent Co-Cr-Cu-Fe-Ni nanoparticles. J Alloys Compd 775:1177–118310.1016/j.jallcom.2018.10.170 ↗
21. Ferrando R, Jellinek J, Johnston RL (2008) Nanoalloys: from theory to applications of alloy clusters and nanoparticles. Chem Rev 108(3):845–910. https://doi.org/10.1021/cr040090g10.1021/cr040090g ↗
22. Eom N, Messing ME, Johansson J, Deppert K (2021) General trends in core–shell preferences for bimetallic nanoparticles. ACS Nano 15(5):8883–8895. https://doi.org/10.1021/acsnano.1c0150010.1021/acsnano.1c01500 ↗
23. Samsonov VM, Talyzin IV, Kartoshkin AY et al (2018) Surface segregation in binary Cu–Ni and Au–Co nanoalloys and the core–shell structure stability/instability: thermodynamic and atomistic simulations. Appl Nanosci 9(1):119. https://doi.org/10.1007/s13204-018-0895-510.1007/s13204-018-0895-5 ↗
24. Lee JY, Punkkinen MPJ, SchöNecker S (2018) The surface energy and stress of metals. Surf Sci. https://doi.org/10.1016/j.susc.2018.03.00810.1016/j.susc.2018.03.008 ↗