Synergetic effect of Si addition on mechanical properties in face-centered-cubic high entropy alloys: A first-principles study

2021 ◽  
Author(s):  
T Tsuru ◽  
Ivan Lobzenko ◽  
Daixiu Wei
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Stacking Fault ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Si Doped ◽  
Face Centered ◽  
Si Addition ◽  
Strength And Ductility

Abstract High-entropy alloys (HEA) have been receiving increased attention for their excellent mechanical properties. Our recent study revealed that Si-doped face-centered cubic (FCC) HEAs have great potential to improve both strength and ductility. Here, we carried out first-principles calculations in cooperation with Monte Carlo simulation and structural factor analysis to explore the effect of Si addition on the macroscopic mechanical properties. As a result, Si addition increased the local lattice distortion and the stacking fault energy. Furthermore, the short-range order formation in Si-doped alloy caused highly fluctuated stacking fault energy. Thus, the heterogeneous solid solution states in which low and high stacking fault regions are distributed into the matrix were nucleated. This unique feature in Si-doped FCC-HEA induces ultrafine twin formation in Si-doped alloys, which can be a dominant factor in improving both strength and ductility.

scholarly journals Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles

Entropy ◽  
2018 ◽  
Vol 20 (9) ◽  
pp. 655 ◽  
Author(s):  
Yuji Ikeda ◽  
Fritz Körmann ◽  
Isao Tanaka ◽  
Jörg Neugebauer
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Mechanical Performance ◽  
Stacking Faults ◽  
Stacking Fault ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Linear Behavior ◽  
The Impact

Medium and high entropy alloys (MEAs and HEAs) based on 3d transition metals, such as face-centered cubic (fcc) CrCoNi and CrMnFeCoNi alloys, reveal remarkable mechanical properties. The stacking fault energy (SFE) is one of the key ingredients that controls the underlying deformation mechanism and hence the mechanical performance of materials. Previous experiments and simulations have therefore been devoted to determining the SFEs of various MEAs and HEAs. The impact of local chemical environment in the vicinity of the stacking faults is, however, still not fully understood. In this work, we investigate the impact of the compositional fluctuations in the vicinity of stacking faults for two prototype fcc MEAs and HEAs, namely CrCoNi and CrMnFeCoNi by employing first-principles calculations. Depending on the chemical composition close to the stacking fault, the intrinsic SFEs vary in the range of more than 150 mJ/m 2 for both the alloys, which indicates the presence of a strong driving force to promote particular types of chemical segregations towards the intrinsic stacking faults in MEAs and HEAs. Furthermore, the dependence of the intrinsic SFEs on local chemical fluctuations reveals a highly non-linear behavior, resulting in a non-trivial interplay of local chemical fluctuations and SFEs. This sheds new light on the importance of controlling chemical fluctuations via tuning, e.g., the annealing condition to obtain the desired mechanical properties for MEAs and HEAs.

scholarly journals Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys

2021 ◽  
Vol 11 (6) ◽  
pp. 2832
Author(s):  
Haibo Liu ◽  
Cunlin Xin ◽  
Lei Liu ◽  
Chunqiang Zhuang
Keyword(s):  
Mechanical Properties ◽  
Structural Stability ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
Obvious Effect ◽  
High Entropy ◽  
Precise Control ◽  
Component Content ◽  
Face Centered ◽  
And Performance

The structural stability of high-entropy alloys (HEAs) is closely related to their mechanical properties. The precise control of the component content is a key step toward understanding their structural stability and further determining their mechanical properties. In this study, first-principle calculations were performed to investigate the effects of different contents of each component on the structural stability and mechanical properties of Co-Cr-Fe-Ni HEAs based on the supercell model. Co-Cr-Fe-Ni HEAs were constructed based on a single face-centered cubic (FCC) solid solution. Elemental components have a clear effect on their structure and performance; the Cr and Fe elements have an obvious effect on the structural stability and equilibrium lattice constant, respectively. The Ni elements have an obvious effect on stiffness. The Pugh ratios indicate that Cr and Ni addition may increase ductility, whereas Co and Fe addition may decrease it. With increasing Co and Fe contents or decreasing Cr and Ni contents, the structural stability and stiffness of Co-Cr-Fe-Ni HEAs are improved. The structural stability and mechanical properties may be related to the strength of the metallic bonding and covalent bonding inside Co-Cr-Fe-Ni HEAs, which, in turn, is determined by the change in element content. Our results provide the underlying insights needed to guide the optimization of Co-Cr-Fe-Ni HEAs with excellent mechanical properties.

scholarly journals Metalloid substitution elevates simultaneously the strength and ductility of face-centered-cubic high-entropy alloys

2021 ◽  
pp. 117571
Author(s):  
Daixiu Wei ◽  
Liqiang Wang ◽  
Yongjie Zhang ◽  
Wu Gong ◽  
Tomohito Tsuru ◽  
...  
Keyword(s):  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Face Centered ◽  
Strength And Ductility

Stacking fault energy of face-centered-cubic high entropy alloys

2018 ◽  
Vol 93 ◽  
pp. 269-273 ◽  
Author(s):  
S.F. Liu ◽  
Y. Wu ◽  
H.T. Wang ◽  
J.Y. He ◽  
J.B. Liu ◽  
...  
Keyword(s):  
Stacking Fault ◽  
Stacking Fault Energy ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Face Centered

Mechanical properties of high-entropy alloys with emphasis on face-centered cubic alloys

2019 ◽  
Vol 102 ◽  
pp. 296-345 ◽  
Author(s):  
Zezhou Li ◽  
Shiteng Zhao ◽  
Robert O. Ritchie ◽  
Marc A. Meyers
Keyword(s):  
Mechanical Properties ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Face Centered

Microstructure and Mechanical Properties of the W-Ni-Co System Refractory High-Entropy Alloys

2015 ◽  
Vol 816 ◽  
pp. 324-329 ◽  
Author(s):  
Hui Jiang ◽  
Li Jiang ◽  
Yi Ping Lu ◽  
Tong Min Wang ◽  
Zhi Qiang Cao ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Vacuum Arc ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Melting Temperatures ◽  
Arc Melting ◽  
Microstructure And Mechanical Properties ◽  
The Matrix ◽  
Face Centered

The elements Mo, Cr and V were added to the W-Ni-Co system high entropy alloys, the effects of these added elements on microstructure and mechanical properties of these alloys were studied. The alloys were produced by vacuum arc melting. The compositions were W0.5Ni2Co2VMo0.5,W0.5Ni2Co2VCr0.5and W0.5Ni2Co2CrMo0.5(denoted as Alloy 1, Alloy 2 and Alloy 3) respectively. The theoretical melting temperatures were higher than 2000 K. X-ray diffraction, SEM and energy dispersive spectroscopy (EDS) results indicated that the matrix of the alloys is face-centered cubic (FCC) solid-solution, the alloys showed dendrite crystal structure. Ni, Co elements were enriched in the dendrite areas, the W, Mo were enriched in the inter-dendrite regions ,while V, Cr elements were uniform distribution. The Vickers hardness of these alloys was 376.1 HV, 255.88 HV and 306.8 HV, respectively. The yield strength values (σ0.2) of Alloy 1, Alloy 2 and Alloy 3 were approximately 1000MPa, 750MPa, 250MPa, respectively. The alloys show good compression plasticity deformation capacity at RT.

scholarly journals Novel Co-Cu-Based Immiscible Medium-Entropy Alloys with Promising Mechanical Properties

Metals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 238
Author(s):  
Sujung Son ◽  
Jongun Moon ◽  
Hyeonseok Kwon ◽  
Peyman Asghari Rad ◽  
Hidemi Kato ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Binary System ◽  
Design Methodology ◽  
Miscibility Gap ◽  
Face Centered Cubic ◽  
Solid Solution Strengthening ◽  
Solution Strengthening ◽  
Face Centered ◽  
Strength And Ductility ◽  
Cobalt Copper

New AlxCo50−xCu50−xMnx (x = 2.5, 10, and 15 atomic %, at%) immiscible medium-entropy alloys (IMMEAs) were designed based on the cobalt-copper binary system. Aluminum, a strong B2 phase former, was added to enhance yield strength and ultimate tensile strength, while manganese was added for additional solid solution strengthening. In this work, the microstructural evolution and mechanical properties of the designed Al-Co-Cu-Mn system are examined. The alloys exhibit phase separation into dual face-centered cubic (FCC) phases due to the miscibility gap of the cobalt-copper binary system with the formation of CoAl-rich B2 phases. The hard B2 phases significantly contribute to the strength of the alloys, whereas the dual FCC phases contribute to elongation mitigating brittle fracture. Consequently, analysis of the Al-Co-Cu-Mn B2-strengthened IMMEAs suggest that the new alloy design methodology results in a good combination of strength and ductility.

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