journal article·2025-05

Sintering of Ti–Al nanoparticle pairs: a molecular dynamics simulation study

Yong Niu, Xiang Lv, Yunjie Jia, Yanchun Zhu, Yaoqi Wang

Journal of Nanoparticle Research· Volume 27· Issue 5
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Intermetallics and Advanced Alloy Properties · nanoparticles nucleation surface interactions · Energetic Materials and Combustion

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (38)

Show source-provided references
1. Zhao Q, Sun Q, Xin S, Chen Y, Wu C, Wang H, Xu J, Wan M, Zeng W, Zhao Y (2022) High-strength titanium alloys for aerospace engineering applications: a review on melting-forging process. Mater Sci Eng, A 845:143260. https://doi.org/10.1016/j.msea.2022.14326010.1016/j.msea.2022.143260 ↗
2. Banerjee D, Williams JC (2013) Perspectives on titanium science and technology. Acta Mater 61(3):844–879. https://doi.org/10.1016/j.actamat.2012.10.04310.1016/j.actamat.2012.10.043 ↗
3. Cui YW, Wang LQ, Zhang LC (2024) Towards load-bearing biomedical titanium-based alloys: from essential requirements to future developments. Prog Mater Sci 144. https://doi.org/10.1016/j.pmatsci.2024.10127710.1016/j.pmatsci.2024.101277 ↗
4. Wang Z, Tan Y, Li N (2023) Powder metallurgy of titanium alloys: a brief review. J Alloy Compd 965:171030. https://doi.org/10.1016/j.jallcom.2023.17103010.1016/j.jallcom.2023.171030 ↗
5. Fang Z, Paramore J, Sun P, Chandran KSR, Zhang Y, Xia Y, Cao F, Koopman M, Free M (2017) Powder metallurgy of titanium – past, present, and future. Int Mater Rev 63:1–53. https://doi.org/10.1080/09506608.2017.136600310.1080/09506608.2017.1366003 ↗
6. Raynova S, Imam MA, Yang F, Bolzoni L (2019) Hybrid microwave sintering of blended elemental Ti alloys. J Manuf Process 39:52–57. https://doi.org/10.1016/j.jmapro.2019.02.00210.1016/j.jmapro.2019.02.002 ↗
7. Dong ZW, Xia Y, Guo XY, Tian QH, Liu HN, Liu PD, Chen YB (2022) One-step production of high-strength titanium alloy by sintering titanium hydride powder from upgraded titania slag. Transactions of Nonferrous Metals Society of China 32(11):3801–3809. https://doi.org/10.1016/S1003-6326(22)66059-X10.1016/S1003-6326(22)66059-X ↗
8. He T, Li X, Qi Y, Zhao M, Feng M (2024) Molecular dynamics simulation of primary irradiation damage in Ti-6Al-4V alloys. Nucl Eng Technol 56(4):1480–1489. https://doi.org/10.1016/j.net.2023.12.00110.1016/j.net.2023.12.001 ↗
9. Niu Y, Jia Y, Lv X, Zhu Y, Wang Y (2024) Molecular dynamics simulations of polycrystalline titanium mechanical properties: grain size effect. Materials Today Communications 40:109558. https://doi.org/10.1016/j.mtcomm.2024.10955810.1016/j.mtcomm.2024.109558 ↗
10. Han X, Liu P, Sun D, Wang Q (2019) Molecular dynamics simulations of the tensile responses and fracture mechanisms of Ti2AlN/TiAl composite. Theoret Appl Fract Mech 101:217–223. https://doi.org/10.1016/j.tafmec.2019.03.00310.1016/j.tafmec.2019.03.003 ↗
11. Xue C, Li S, Chu Z, Yang Q, Li Y, Ma L, Tuo L (2023) Molecular dynamics study on the effect of temperature on HCP→FCC phase transition of magnesium alloy. Journal of Magnesium and Alloys 11(10):3749–3764. https://doi.org/10.1016/j.jma.2022.03.01310.1016/j.jma.2022.03.013 ↗
12. Sahni SK, Bhowmick S, Upadhyaya A (2024) Molecular dynamics simulations of solid-state sintering in Fe35Ni alloy: understanding the process at the atomic scale. J Mater Sci 59(7):2954–2973. https://doi.org/10.1007/s10853-024-09404-y10.1007/s10853-024-09404-y ↗
13. Zhang XZ, Gao J, Zhang LY, Chen Y, Zhang Y, Zhang K (2024) Molecular dynamics study on the sintering mechanism and tensile properties of novel Cu nanoparticle/graphene nanoplatelet composite solder paste. Materials 17(19). https://doi.org/10.3390/ma1719475910.3390/ma17194759 ↗
14. Sun W, Cui M, Liu H, Ma Y, Wang T, Wang X (2024) Dynamic compaction of nickel nanopowders: experiment and MD simulation using the laser shock method. Powder Technol 440:119801. https://doi.org/10.1016/j.powtec.2024.11980110.1016/j.powtec.2024.119801 ↗
15. Singh R, Sharma V (2021) Nano tungsten carbide interactions and mechanical behaviour during sintering: a molecular dynamics study. Comput Mater Sci 197:110653. https://doi.org/10.1016/j.commatsci.2021.11065310.1016/j.commatsci.2021.110653 ↗
16. Li S, Liu Y, Sun F, Fang H (2021) Multi-particle molecular dynamics simulation: shell thickness effects on sintering process of Cu-Ag core-shell nanoparticles. J Nanopart Res 23(1):6. https://doi.org/10.1007/s11051-021-05144-110.1007/s11051-021-05144-1 ↗
17. Jamshideasli D, Mahjouri-Samani M, Shamsaei N, Shao S (2024) Molecular dynamics simulations of nanoparticle sintering in additive nanomanufacturing: the role of particle size, misorientation angle, material type, and temperature. Materials Today Communications 39:108877. https://doi.org/10.1016/j.mtcomm.2024.10887710.1016/j.mtcomm.2024.108877 ↗
18. Nandy J, Yedla N, Gupta P, Sarangi H, Sahoo S (2019) Sintering of AlSi10Mg particles in direct metal laser sintering process: a molecular dynamics simulation study. Mater Chem Phys 236:121803. https://doi.org/10.1016/j.matchemphys.2019.12180310.1016/j.matchemphys.2019.121803 ↗
19. Liu Z, Cheng Q, Wang Y, Li Y, Zhang J (2020) Sintering neck growth mechanism of Fe nanoparticles: a molecular dynamics simulation. Chem Eng Sci 218:115583. https://doi.org/10.1016/j.ces.2020.11558310.1016/j.ces.2020.115583 ↗
20. Li B, Li J, Su X, Cui Y (2021) Molecular dynamics study on structural and atomic evolution between Au and Ni nanoparticles through coalescence. Sci Rep 11(1):15432. https://doi.org/10.1038/s41598-021-94822-010.1038/s41598-021-94822-0 ↗
21. Wang ZQ, Song ZX, Luo W, Shang TF, Liu ZH, Yuan JY, Fan X, Zhu YY (2024) The effect of temperature on the mechanisms of Cu nanoparticle sintering: a molecular dynamic study. Powder Technol 440. https://doi.org/10.1016/j.powtec.2024.11980210.1016/j.powtec.2024.119802 ↗
22. Yang T, Zhao L, Wu W, Chen P, Qiu C (2025) Effects of Ti + Al content on the microstructure and mechanical properties of a new nickel-based superalloy fabricated by laser directed energy deposition. J Mater Sci 60(8):3957–3973. https://doi.org/10.1007/s10853-025-10686-z10.1007/s10853-025-10686-z ↗
23. Hirel P (2015) Atomsk: a tool for manipulating and converting atomic data files. Comput Phys Commun 197:212–219. https://doi.org/10.1016/j.cpc.2015.07.01210.1016/j.cpc.2015.07.012 ↗
24. 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. Computer Physics Communications 271:108171. https://doi.org/10.1016/j.cpc.2021.10817110.1016/j.cpc.2021.108171 ↗
25. Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modell Simul Mater Sci Eng 18(1):015012. https://doi.org/10.1088/0965-0393/18/1/01501210.1088/0965-0393/18/1/015012 ↗
26. Zope RR, Mishin Y (2003) Interatomic potentials for atomistic simulations of the Ti-Al system. Phys Rev B 68(2):024102. https://doi.org/10.1103/PhysRevB.68.02410210.1103/PhysRevB.68.024102 ↗
27. Baletto F, Ferrando R (2005) Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects. Rev Mod Phys 77(1):371–423. https://doi.org/10.1103/RevModPhys.77.37110.1103/RevModPhys.77.371 ↗
28. Ferrando R (2016) Equilibrium structures of nanoalloys. In: Ferrando R (ed) Frontiers of nanoscience. Elsevier, pp 131–183. https://doi.org/10.1016/B978-0-08-100212-4.00005-510.1016/B978-0-08-100212-4.00005-5 ↗
29. Sankaranarayanan SKRS, Bhethanabotla VR, Joseph B (2005) Molecular dynamics simulation study of the melting of Pd-Pt nanoclusters. Phys Rev B 71(19):195415. https://doi.org/10.1103/PhysRevB.71.19541510.1103/PhysRevB.71.195415 ↗
30. Abedini A, Malti A, Kardani A, Montazeri A (2023) Probing neck growth mechanisms and tensile properties of sintered multi-nanoparticle Al-Cu systems via MD simulation. Adv Powder Technol 34(8):104084. https://doi.org/10.1016/j.apt.2023.10408410.1016/j.apt.2023.104084 ↗
31. Faken D, Jónsson H (1994) Systematic analysis of local atomic structure combined with 3D computer graphics. Comput Mater Sci 2(2):279–286. https://doi.org/10.1016/0927-0256(94)90109-010.1016/0927-0256(94)90109-0 ↗
32. Roncaglia C, Ferrando R (2023) Machine learning assisted clustering of nanoparticle structures. J Chem Inf Model 63(2):459–473. https://doi.org/10.1021/acs.jcim.2c0120310.1021/acs.jcim.2c01203 ↗
33. Stukowski A (2012) Structure identification methods for atomistic simulations of crystalline materials. Modell Simul Mater Sci Eng 20(4):045021. https://doi.org/10.1088/0965-0393/20/4/04502110.1088/0965-0393/20/4/045021 ↗
34. Nelli D, Dighero E, Ferrando R (2024) Coalescence-induced shape transformations in Pd and AuPd clusters. Nanoscale 16(42):19775–19785. https://doi.org/10.1039/D4NR03201B10.1039/D4NR03201B ↗
35. Michalet X (2010) Mean square displacement analysis of single-particle trajectories with localization error: Brownian motion in an isotropic medium. Phys Rev E 82(4):041914. https://doi.org/10.1103/PhysRevE.82.04191410.1103/PhysRevE.82.041914 ↗
36. Yan Zefan LR, Bing LIU, Youlin SHAO, Malin LIU (2023) Molecular dynamics simulation of sintering behavior of SiC nanocoated particles. Journal of Tsinghua University(Science and Technology) 63(8):1297–1308. https://doi.org/10.16511/j.cnki.qhdxxb.2023.25.01210.16511/j.cnki.qhdxxb.2023.25.012 ↗
37. Jiang J, Chen P, Sun W (2020) Monitoring micro-structural evolution during aluminum sintering and understanding the sintering mechanism of aluminum nanoparticles: a molecular dynamics study. J Mater Sci Technol 57:92–100. https://doi.org/10.1016/j.jmst.2020.03.06810.1016/j.jmst.2020.03.068 ↗
38. Nelli D, Rossi G, Wang Z, Palmer RE, Ferrando R (2020) Structure and orientation effects in the coalescence of Au clusters. Nanoscale 12(14):7688–7699. https://doi.org/10.1039/C9NR10163B10.1039/C9NR10163B ↗