scholarly journals First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy

2019 ◽  
Vol 5 (1) ◽  
Author(s):  
Binglun Yin ◽  
William A. Curtin
Keyword(s):  
Yield Strength ◽  
First Principles ◽  
High Entropy Alloy ◽  
High Entropy

Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations

2021 ◽  
pp. 117582
Author(s):  
Shu-Ming Chen ◽  
Ze-Jun Ma ◽  
Shi Qiu ◽  
Lian-Ji Zhang ◽  
Shang-Zhou Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
High Entropy Alloy ◽  
Phase Decomposition ◽  
First Principles Calculations ◽  
High Entropy

A novel Fe-Co-Ni-Si high entropy alloy with high yield strength, saturated magnetization and Curie temperature

2020 ◽  
Vol 281 ◽  
pp. 128653
Author(s):  
Chen Chen ◽  
Yanzhou Fan ◽  
Hang Zhang ◽  
Jialiang Hou ◽  
Weiwei Zhang ◽  
...  
Keyword(s):  
Yield Strength ◽  
Curie Temperature ◽  
High Yield ◽  
High Entropy Alloy ◽  
High Yield Strength ◽  
High Entropy

scholarly journals First-Principles Design of Refractory High Entropy Alloy VMoNbTaW

Entropy ◽  
2018 ◽  
Vol 20 (12) ◽  
pp. 965 ◽  
Author(s):  
Shumin Zheng ◽  
Shaoqing Wang
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
High Entropy Alloy ◽  
Low Density ◽  
High Entropy ◽  
System A ◽  
Small Influence ◽  
High Concentrations ◽  
General Guidance ◽  
Selection Of

The elastic properties of seventy different compositions were calculated to optimize the composition of a V–Mo–Nb–Ta–W system. A new model called maximum entropy approach (MaxEnt) was adopted. The influence of each element was discussed. Molybdenum (Mo) and tungsten (W) are key elements for the maintenance of elastic properties. The V–Mo–Nb–Ta–W system has relatively high values of C44, bulk modulus (B), shear modulus (G), and Young’s modulus (E), with high concentrations of Mo + W. Element W is brittle and has high density. Thus, low-density Mo can substitute part of W. Vanadium (V) has low density and plays an important role in decreasing the brittleness of the V–Mo–Nb–Ta–W system. Niobium (Nb) and tantalum (Ta) have relatively small influence on elastic properties. Furthermore, the calculated results can be used as a general guidance for the selection of a V–Mo–Nb–Ta–W system.

Microstructure and Mechanical Properties of Equitomic CoCrFeCuNi High Entropy Alloy

2018 ◽  
Vol 765 ◽  
pp. 149-154 ◽  
Author(s):  
Seung Min Oh ◽  
Sun Ig Hong
Keyword(s):  
Mechanical Properties ◽  
Yield Strength ◽  
Cold Rolling ◽  
Cast Alloy ◽  
Cold Work ◽  
High Entropy Alloy ◽  
Second Phase ◽  
Rich Phase ◽  
High Entropy ◽  
Microstructure And Mechanical Properties

Microstructure and mechanical properties of cast and cold-rolled equitomic CoCrFeCuNi alloy in which Mn was substituted by Cu from Cantor alloy was studied. The separation into two solid solutions (Cr-Co-Fe rich and Cu-rich phases) were observed in CoCrFeCuNi. Coarsening and widening of interdendritic Cu-rich phase after homogenization was observed after homogenization, suggesting Cu-rich phase is thermodynamically stable. The compressive stress-strain curves of homogenized cast CoCrFeCuNi alloy exhibited the reasonably high strength and excellent deformability for the cast alloy. The yield strength increased up to 960MPa after cold rolling from 265MPa of the homogenized cast alloy. The significant increase of yield strength is thought to be associated with the alignment of Cu-rich second phase in addition to cold work dislocation storage after cold rolling.

scholarly journals An investigation of high entropy alloy conductivity using first-principles calculations

2021 ◽  
Vol 119 (12) ◽  
pp. 121903
Author(s):  
Vishnu Raghuraman ◽  
Yang Wang ◽  
Michael Widom
Keyword(s):  
First Principles ◽  
High Entropy Alloy ◽  
First Principles Calculations ◽  
High Entropy

scholarly journals Structural and Thermodynamic Properties of the High-Entropy Alloy AlCoCrFeNi Based on First-Principles Calculations

2020 ◽  
Vol 7 ◽  
Author(s):  
Juefei Wu ◽  
Zhen Yang ◽  
Jiawei Xian ◽  
Xingyu Gao ◽  
Deye Lin ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
First Principles ◽  
High Pressures ◽  
Dynamic Properties ◽  
Field Potential ◽  
The Body ◽  
High Entropy Alloy ◽  
High Entropy Alloys ◽  
Local Lattice Distortion ◽  
High Entropy

During the past two decades, the high-entropy alloy AlCoCrFeNi has attracted much attention due to its outstanding thermal and mechanical properties under ambient conditions. However, the exploration on the thermodynamic properties of this alloy under high temperatures and high pressures is relatively insufficient. Combining structural modeling with the similar atomic environment (SAE) method and first-principles simulations with the modified mean-field potential (MMFP) approach, we studied the lattice and magnetic structure as well as the thermodynamic properties of the body-centered-cubic AlCoCrFeNi, through supercell simulations. AlCoCrFeNi was found to display a strong local lattice distortion compared with typical 3d high-entropy alloys; the ferromagnetic structure stable at 0 K was predicted to transform to the paramagnetic structure at the Curie temperature TC = 279.75 K, in good agreement with previous calculations; the calculated equilibrium volumes, bulk modulus, and shock Hugoniot all agree well with available experimental data and other theoretical values. These results demonstrate the validity and reliability of our methods used to study the dynamic properties of AlCoCrFeNi, providing a promising scheme for accessing the dynamic properties of sophisticated high-entropy alloys.

scholarly journals Solid solution hardening in CrMnFeCoNi-based high entropy alloy systems studied by a combinatorial approach

2021 ◽  
Author(s):  
Tom Keil ◽  
Daniel Utt ◽  
Enrico Bruder ◽  
Alexander Stukowski ◽  
Karsten Albe ◽  
...  
Keyword(s):  
Solid Solution ◽  
Yield Strength ◽  
Strain Hardening ◽  
Solid Solution Hardening ◽  
High Entropy Alloy ◽  
Solution Hardening ◽  
Local Composition ◽  
High Entropy ◽  
Dependent Strain ◽  
Local Shear

Abstract Solid solution hardening in high entropy alloys was studied for the Cantor alloy using diffusion couples and nanoindentation. We study a continuous variation of the alloying content and directly correlate the nanoindentation hardness to the local composition up to the phase boundary. The composition dependent hardness is analysed using the Labusch model and the more recent Varvenne model. The Labusch model has been fitted to experimental data and confirms Cr as the most potent strengthening element. For comparison of the experimental hardness and the predicted yield strength of the Varvenne model, a concentration-dependent strain-hardening factor is introduced to account for strain hardening during indentation, which leads to a very good agreement between experiment and model. A study of the input parameters of the Varvenne model, performed by atomistic computer simulations, shows no significant effect of fluctuations in the atomic size misfit volumes or in the local shear modulus to the computed yield strength. Graphic Abstract

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