Interfacial Behavior, Electronic Properties, and Microme-chanics Properties of L1<sub>2</sub>-Al<sub>3</sub>Zr/Al Alloy

doi:10.12442/j.issn.1002-185X.E20220037

Home > Archive>Volume 52, Issue 7, 2023 >2404-2414. DOI:10.12442/j.issn.1002-185X.E20220037

Interfacial Behavior, Electronic Properties, and Microme-chanics Properties of L12-Al3Zr/Al Alloy
DOI:
                        10.12442/j.issn.1002-185X.E20220037
                    
Author:
                        Li Yong1,3,4Li Yong
Light Alloy Research Institute, Central South University, Changsha 410083, China;State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
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Yan Jijun1,3,4Yan Jijun
Light Alloy Research Institute, Central South University, Changsha 410083, China;State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
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Fu Rong2,3,4Fu Rong
College of Mechanical and Electrical Engineering, Central South University, Changsha 410083, China;State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
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Zhang Xieyi1,3,4Zhang Xieyi
Light Alloy Research Institute, Central South University, Changsha 410083, China;State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
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Huang Yuanchun1,2,3,4Huang Yuanchun
Light Alloy Research Institute, Central South University, Changsha 410083, China;College of Mechanical and Electrical Engineering, Central South University, Changsha 410083, China;State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
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Affiliation:1.Light Alloy Research Institute, Central South University, Changsha 410083, China;2.College of Mechanical and Electrical Engineering, Central South University, Changsha 410083, China;3.State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China;4.Nonferrous Metal Advanced Structural Materials and Manufacturing Collaborative Innovation Center, Central South University, Changsha 410083, China
Clc Number:
Fund Project:National Natural Science Foundation of China (U1837207); Supported by High-Performance Computing Center of Central South University

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Abstract:

First-principles simulations were conducted to investigate the micromechanics, thermodynamic, and electrical characteristics of L1₂-Al₃Zr/Al alloy. The computional results show that the interface with bulk-like atomic organization possesses excellent adhesion and the highest interface strength. During the machining process, the interface system preferentially fails at the Al side. According to the non-relaxation tensile test results, the L1₂-Al₃Zr(001)/Al(001) interface system has the highest tensile stress (16.78 GPa). However, after the relaxation tensile test, the L1₂-Al₃Zr(110)/Al(110) interface system has the highest tensile stress (10.18 GPa). Additionally, covalent and metallic bonds are generated between the atoms at interface based on the differential charge density and electronic localized function. The formants of interfacial atom orbitals show that the Al and Zr interface atoms have s-p-d or s-p hybridized orbitals.

Key words:mechanical properties;electronic properties;aluminum alloy;plasticity;intermetallic compound

Reference

[1] Yan F, Zhang K, Yang B Y et al. Optics & Laser Technology[J], 2021, 138: 106 843

[2] Wang L, Liu Y, Yang C G et al. Journal of Materials Processing Technology[J], 2021, 292: 117 053

[3] Muhammad M, Nezhadfar P D, Thompson S et al. International Journal of Fatigue[J], 2021, 146: 106 165

[4] Wu W L, Song Y L, Zhou P et al. Journal of Alloys and Compounds[J], 2021, 861: 157 987

[5] Yan K, Chen Z W, Zhao Y N et al. Journal of Alloys and Compounds[J], 2021, 861: 158 491

[6] Khomutov M, Chereshneva A, Petrovskiy P et al. Journal of Alloys and Compounds[J], 2021, 858: 157 644

[7] Kong Y P, Jia Z L, Liu Z P et al. Journal of Alloys and Compounds[J], 2021, 857: 157 611

[8] Liu Y, Wen J C, Zhang X Y et al. Physical Chemistry Chemical Physics[J], 2021, 23(8): 4718

[9] Xue H T, Luo Y Q, Tang F L et al. Materials Chemistry and Physics[J], 2021, 258: 123 977

[10] Dumbre J, Kairy S K, Anber E et al. Journal of Alloys and Compounds[J], 2021, 861: 158 511

[11] Avtokratova E, Sitdikov O, Markushev M et al. Materials Science and Engineering A[J], 2021, 806: 140 818

[12] Mochugovskiy A G, Mikhaylovskaya A V, Tabachkova N Y et al. Materials Science and Engineering A[J], 2019, 744: 195

[13] Vo N Q, Dunand D C, Seidman D N. Acta Materialia[J], 2014, 63: 73

[14] Yang D X, Li X Y, He D Y et al. Materials Science and Engineering A[J], 2013, 561: 226

[15] Wang Z H, Lin X, Tang Y et al. Journal of Materials Science & Technology[J], 2021, 69: 168

[16] Jiang L, Rouxel B, Langan T et al. Acta Materialia[J], 2021, 206: 116 634

[17] Tian S K, Li J Y, Zhang J L et al. Journal of Materials Research and Technology[J], 2019, 8(5): 4130

[18] Xu C, Xiao W L, Zheng R X et al. Materials & Design[J], 2015, 88: 485

[19] Orlova T S, Latynina T A, Murashkin M Y et al. Journal of Alloys and Compounds[J], 2021, 859: 157 775

[20] Kumar N, Mishra R S. Materials Science and Engineering A[J], 2013, 580: 175

[21] Ren Z X, Qin J Q, Liu R P et al. Journal of Alloys and Compounds[J], 2020, 825: 153 825

[22] Yang T X, Wei M Z, Ding Z Y et al. Calphad[J], 2020, 69: 101 768

[23] Farkoosh A R, Dunand D C, Seidman D N. Journal of Alloys and Compounds[J], 2020, 820: 153 383

[24] Gubicza J, El-Tahawy M, Lábár J L et al. Journal of Materials Science[J], 2020, 55: 16 791

[25] Saha S, Todorova T Z, Zwanziger J W. Acta Materialia[J], 2015, 89: 109 115

[26] Qiu C H, Su Y S, Zhang D et al. Metallurgical and Materials Transactions A[J], 2021, 53(4): 1308

[27] Li H, Xu P Y, Lu S B et al. Rare Metal Materials and Engineering[J], 2020, 49(6): 1873

[28] Peng W J, Peng H, Wu G X et al. Computational Materials Science[J], 2020, 171: 109 204

[29] Li J H, Zhao X, Wang D S et al. Acta Metallurgica Sinica (English Letters)[J], 2013, 26(6): 675

[30] Zhou H B, Zhang Y, Liu Y L et al. Journal of Physics: Condensed Matter[J], 2009, 21(17): 175 407

[31] Zhang Y, Lu G H, Wang T et al. Materials Transactions[J], 2006, 47(11): 2678

[32] Gorbunova M A, Shein I R, Makurin Y N et al. Physica B: Condensed Matter[J], 2007, 400(1–2): 47

[33] Song W, Wang B, Wang J L et al. Journal of Cluster Science[J], 2017, 28(5): 2575

[34] Deák P, Aradi B, Frauenheim T et al. Physical Review B[J], 2010, 81: 153 203

[35] Zhang J Y, Dang W Q, Ao Z M et al. Physical Chemistry Chemical Physics[J], 2015, 17: 8994

[36] Bengtsson L. Physical Review B[J], 1999, 59(19): 12 301

[37] Li S S, Li L, Han J et al. Applied Surface Science[J], 2020, 526: 146 455

[38] Yang T X, Wei M Z, Ding Z Y et al. Calphad[J], 2020, 69: 101 768

[39] Clouet E, Nastar M, Sigli C. Physical Review B[J], 2004, 69(6): 64 109

[40] Sun S P, Li X P, Wang H J et al. Applied Surface Science[J], 2014, 288: 609

[41] Rose J H, Ferrante J, Smith J R. Physical Review Letters[J], 1981, 47(9): 675

[42] Rice J R, Thomson R. The Philosophical Magazine[J], 1974, 29(1): 73

[43] Rice J R. Journal of the Mechanics and Physics of Solids[J], 1992, 40(2): 239

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[Li Yong, Yan Jijun, Fu Rong, Zhang Xieyi, Huang Yuanchun. Interfacial Behavior, Electronic Properties, and Microme-chanics Properties of L1₂-Al₃Zr/Al Alloy[J]. Rare Metal Materials and Engineering,2023,52(7):2404~2414.]
DOI：10.12442/j. issn.1002-185X. E20220037

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Received:November 17,2022
Revised:February 28,2023
Adopted:March 03,2023
Online: July 31,2023
Published: July 27,2023

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