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Journal articles on the topic 'Multi-Element alloys'

Author: Grafiati

Published: 25 May 2024

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1

Reiberg, Marius, Leonhard Hitzler, Lukas Apfelbacher, Jochen Schanz, David Kolb, Harald Riegel, and Ewald Werner. "Additive Manufacturing of CrFeNiTi Multi-Principal Element Alloys." Materials 15, no. 22 (November 8, 2022): 7892. http://dx.doi.org/10.3390/ma15227892.

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High entropy alloys (HEAs) and their closely related variants, called multi-principal element alloys (MPEAs), are the topic of a rather new area of research, and so far, the gathered knowledge is incomplete. This is especially true when it comes to material libraries, as the fabrication of HEA and MPEA samples with a wide variation in chemical compositions is challenging in itself. Additive manufacturing technologies are, to date, seen as possibly the best option to quickly fabricate HEA and MPEA samples, offering both the melting metallurgical and solid-state sintering approach. Within this study, CrFeNiTi MPEA samples were fabricated via laser powder-bed fusion (PBF-LB) and solid-state sintering of mechanically alloyed powder feedstock. The main emphasis is on the PBF-LB process, while solid-state sintering serves as benchmark. Within a volumetric energy density (VED) window of 50 J/mm³ to 83 J/mm³, dense samples with large defect-free sections and an average micro-hardness of 965 HV0.1 were fabricated. Clear correlations between the local chemical alloy composition and the related micro-hardness were recorded, with the main factor being the evaporation of titanium at higher VED settings through a reduction in the C14_Laves phase fraction.

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2

Liu, Li, Ramesh Paudel, Yong Liu, Xiao-Liang Zhao, and Jing-Chuan Zhu. "Theoretical and Experimental Studies of the Structural, Phase Stability and Elastic Properties of AlCrTiFeNi Multi-Principle Element Alloy." Materials 13, no. 19 (September 30, 2020): 4353. http://dx.doi.org/10.3390/ma13194353.

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The fundamental challenge for creating the crystal structure model used in a multi-principle element design is the ideal combination of atom components, structural stability, and deformation behavior. However, most of the multi-principle element alloys contain expensive metallic and rare earth elements, which could limit their applicability. Here, a novel design of low-cost AlCrTiFeNi multi-principle element alloy is presented to study the relationship of structure, deformation behavior, and micro-mechanism. This structured prediction of single-phase AlCrTiFeNi by the atomic-size difference, mixing enthalpy ΔHmix and valence electron concentration (VEC), indicate that we can choose the bcc-structured solid solution to design the AlCrTiFeNi multi-principle element alloy. Structural stability prediction by density functional theory calculations (DFT) of single phases has verified that the most advantageous atom occupancy position is (FeCrNi)(AlFeTi). The experimental results showed that the structure of AlCrTiFeNi multi-principle element alloy is bcc1 + bcc2 + L12 phases, which we propose as the fundamental reason for the high strength. Our findings provide a new route by which to design and obtain multi-principle element alloys with targeted properties based on the theoretical predictions, first-principles calculations, and experimental verification.

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3

Derimow, N., R. F. Jaime, B. Le, and R. Abbaschian. "Hexagonal (CoCrCuTi)100-Fe multi-principal element alloys." Materials Chemistry and Physics 261 (March 2021): 124190. http://dx.doi.org/10.1016/j.matchemphys.2020.124190.

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4

Qiu, Haochen, Xuehui Yan, Shuaishuai Wu, Wei Jiang, Baohong Zhu, and Shengli Guo. "High-Throughput Preparation and Mechanical Property Screening of Zr-Ti-Nb-Ta Multi-Principal Element Alloys via Multi-Target Sputtering." Coatings 13, no. 9 (September 20, 2023): 1650. http://dx.doi.org/10.3390/coatings13091650.

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Zr-Ti-Nb-Ta alloys were synthesized in parallel via multi-target co-sputtering deposition with physical masking in a pseudo-ternary Ti-Nb-ZrTa alloy system. Sixteen alloys with distinct compositions were obtained. Comprehensive characterization of phase structure, microstructure, Young’s modulus, and nanoindentation hardness was undertaken. The Ti-Nb-ZrTa alloys exhibited two typical phase structures: a single-BCC solid-solution structure, and an amorphous structure. Nanoindentation quantification confirmed a Young’s modulus ranging from 110 to 130 GPa, alongside nanoindentation hardness spanning 3.6 to 5.0 GPa. The combination of good hardness and a relatively low Young’s modulus renders these alloys promising candidates for excellent biomedical materials. This work not only offers an effective method for the high-throughput synthesis of multi-principal element alloys, but also sheds light on a strategy for screening the phase structure and mechanical performance within a given alloy system.

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5

Beyramali Kivi, Mohsen, Yu Hong, and Mohsen Asle Zaeem. "A Review of Multi-Scale Computational Modeling Tools for Predicting Structures and Properties of Multi-Principal Element Alloys." Metals 9, no. 2 (February 20, 2019): 254. http://dx.doi.org/10.3390/met9020254.

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Multi-principal element (MPE) alloys can be designed to have outstanding properties for a variety of applications. However, because of the compositional and phase complexity of these alloys, the experimental efforts in this area have often utilized trial and error tests. Consequently, computational modeling and simulations have emerged as power tools to accelerate the study and design of MPE alloys while decreasing the experimental costs. In this article, various computational modeling tools (such as density functional theory calculations and atomistic simulations) used to study the nano/microstructures and properties (such as mechanical and magnetic properties) of MPE alloys are reviewed. The advantages and limitations of these computational tools are also discussed. This study aims to assist the researchers to identify the capabilities of the state-of-the-art computational modeling and simulations for MPE alloy research.

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6

Scully, John R., Samuel B. Inman, Angela Y. Gerard, Christopher D. Taylor, Wolfgang Windl, Daniel K. Schreiber, Pin Lu, James E. Saal, and Gerald S. Frankel. "Controlling the corrosion resistance of multi-principal element alloys." Scripta Materialia 188 (November 2020): 96–101. http://dx.doi.org/10.1016/j.scriptamat.2020.06.065.

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7

Charpagne, M. A., K. V. Vamsi, Y. M. Eggeler, S. P. Murray, C. Frey, S. K. Kolli, and T. M. Pollock. "Design of Nickel-Cobalt-Ruthenium multi-principal element alloys." Acta Materialia 194 (August 2020): 224–35. http://dx.doi.org/10.1016/j.actamat.2020.05.003.

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8

Kirschner, Johannes, Christoph Eisenmenger-Sittner, Johannes Bernardi, Alexander Großalber, Simon Frank, and Clemens Simson. "Structural Changes in Multi Principal Element Alloys in Dependence on the Aluminium Content." Materials Science Forum 1016 (January 2021): 691–96. http://dx.doi.org/10.4028/www.scientific.net/msf.1016.691.

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The development of novel light metal alloys represents an important task in the further optimization of technical materials. Multi-component systems with more than 4 metals are very promising to outperform currently existing alloys, but lack significant research in systems not dominated by transition metals to date. In this work, alloys containing the elements Al, Cu, Mg and Zn were produced using magnetron sputter deposition. A detailed structural investigation using electron microscopy provided valuable insights into the influences of different metals and their relative proportions in the alloy on material properties.

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9

Liu, Li, Ramesh Paudel, Yong Liu, and Jing-Chuan Zhu. "Theoretical Study on Structural Stability and Elastic Properties of Fe25Cr25Ni25TixAl(25-x) Multi-Principal Element Alloys." Materials 14, no. 4 (February 22, 2021): 1040. http://dx.doi.org/10.3390/ma14041040.

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Material genetic engineering studies the relationship between the composition, microstructure, and properties of materials. By adjusting the atomic composition, structure, or configuration of the material and combining different processes, new materials with target properties obtained. In this paper, the design, and properties of the ordered phases in Fe25Cr25Ni25TixAl(25-x) (subscript represents the atomic percentage) multi-principal element alloys are studied. By adjusting the percentages of Ti and Al atoms, the effect of the atomic percentage content on ordered phases’ structural stability in multi-principal element alloys are studied. Thermodynamic analysis predicted the composition phase and percentage of the alloy. Formation heat, binding energy, and elastic constants confirmed the structural stability and provide a theoretical basis for designing alloys with target properties. The results showed that the disordered BCC A2 phase and the ordered BCC B2 phase are the ductile phases, while the Laves phase is brittle. The research method in this paper is used to design multi-principal element alloys or other various complex materials that meet the target performance.

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10

Choudhury, Amitava, Tanmay Konnur, P. P. Chattopadhyay, and Snehanshu Pal. "Structure prediction of multi-principal element alloys using ensemble learning." Engineering Computations 37, no. 3 (November 21, 2019): 1003–22. http://dx.doi.org/10.1108/ec-04-2019-0151.

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Purpose The purpose of this paper, is to predict the various phases and crystal structure from multi-component alloys. Nowadays, the concept and strategies of the development of multi-principal element alloys (MPEAs) significantly increase the count of the potential candidate of alloy systems, which demand proper screening of large number of alloy systems based on the nature of their phase and structure. Experimentally obtained data linking elemental properties and their resulting phases for MPEAs is profused; hence, there is a strong scope for categorization/classification of MPEAs based on structural features of the resultant phase along with distinctive connections between elemental properties and phases. Design/methodology/approach In this paper, several machine-learning algorithms have been used to recognize the underlying data pattern using data sets to design MPEAs and classify them based on structural features of their resultant phase such as single-phase solid solution, amorphous and intermetallic compounds. Further classification of MPEAs having single-phase solid solution is performed based on crystal structure using an ensemble-based machine-learning algorithm known as random-forest algorithm. Findings The model developed by implementing random-forest algorithm has resulted in an accuracy of 91 per cent for phase prediction and 93 per cent for crystal structure prediction for single-phase solid solution class of MPEAs. Five input parameters are used in the prediction model namely, valence electron concentration, difference in the pauling negativeness, atomic size difference, mixing enthalpy and mixing entropy. It has been found that the valence electron concentration is the most important feature with respect to prediction of phases. To avoid overfitting problem, fivefold cross-validation has been performed. To understand the comparative performance, different algorithms such as K-nearest Neighbor, support vector machine, logistic regression, naïve-based approach, decision tree and neural network have been used in the data set. Originality/value In this paper, the authors described the phase selection and crystal structure prediction mechanism in MPEA data set and have achieved better accuracy using machine learning.

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11

Arora, Gaurav, Anus Manzoor, and Dilpuneet S. Aidhy. "Charge-density based evaluation and prediction of stacking fault energies in Ni alloys from DFT and machine learning." Journal of Applied Physics 132, no. 22 (December 14, 2022): 225104. http://dx.doi.org/10.1063/5.0122675.

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A combination of high strength and high ductility has been observed in multi-principal element alloys due to twin formation attributed to low stacking fault energy (SFE). In the pursuit of low SFE alloys, a key bottleneck is the lack of understanding of the composition–SFE correlations that would guide tailoring SFE via alloy composition. Using density functional theory (DFT), we show that dopant radius, which have been postulated as a key descriptor for SFE in dilute alloys, does not fully explain SFE trends across different host metals. Instead, charge density is a much more central descriptor. It allows us to (1) explain contrasting SFE trends in Ni and Cu host metals due to various dopants in dilute concentrations, (2) explain the large SFE variations observed in the literature even within a given alloy composition due to the nearest neighbor environments in “model” concentrated alloys, and (3) develop a machine learning model that can be used to predict SFEs in multi-elemental alloys. This model opens a possibility to use charge density as a descriptor for predicting SFE in alloys.

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12

Chung, Dukhyun, Heounjun Kwon, Chika Eze, Woochul Kim, and Youngsang Na. "Influence of Ti Addition on the Strengthening and Toughening Effect in CoCrFeNiTix Multi Principal Element Alloys." Metals 11, no. 10 (September 24, 2021): 1511. http://dx.doi.org/10.3390/met11101511.

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Multi principal element alloys have attracted interests as a promising way to balance the bottleneck of the “inverse relationship” between high hardness and high fracture toughness. In the present study, the authors demonstrate the effects of Ti addition on the microstructures and mechanical properties of the CoCrFeNiTix alloys (x values in molar ratio, x = 0.7, 1.0, and 1.2), which exhibits a multi-phase structure containing face-centered cubic phase and various secondary phases, such as sigma, Laves, and (Cr,Fe)-rich phase. Throughout the combined experimental examination and modeling, we show that superb hardness (~9.3 GPa) and excellent compressive strength (~2.4 GPa) in our alloy system are attributed to solid-solution strengthening of the matrix and the formation of hard secondary phases. In addition, high indentation fracture toughness is also derived from the toughening mechanism interplay within the multiple-phase microstructure. At the fundamental level, the results suggest that multi-principal element alloys containing dual or multi-phase structures may provide a solution for developing structural alloys with enhanced strength-toughness synergy.

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13

Singh, Sandeep Kumar, and Avinash Parashar. "Shock resistance capability of multi-principal elemental alloys as a function of lattice distortion and grain size." Journal of Applied Physics 132, no. 9 (September 7, 2022): 095903. http://dx.doi.org/10.1063/5.0106637.

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This article aims to study the shock resistance capability of multi-element alloys. In this study, we utilized nonequilibrium molecular dynamics-based simulations with an embedded atom method potential to predict the deformation governing mechanism in a multi-elemental alloy system subjected to shock loading. The evolution of shock front width, longitudinal stress, shear stress, and dislocation density were investigated for different polycrystalline multi-element systems containing different mean grain sizes of 5, 10, and 18 nm, respectively. In order to quantify the effect of lattice distortion, average atom (A-atom) potential for quinary (high entropy) and ternary (medium entropy) configurations was also developed in this work. The random composition of multi-element alloys was replaced with single atom-based A-atom arrangements to study the effect of lattice distortion on shock resistance capabilities of high entropy alloy and medium entropy alloy. It was predicted from simulations that a higher value of lattice distortion component in the CoCrCuFeNi alloy leads to provide superior resistance against shock wave propagation as compared to the ternary alloy CrFeNi. In nanocrystalline configurations, dislocations, and stacking faults, only dislocations governed the deformation mechanics in monocrystalline configurations. The simulations indicate that grain size significantly affects the rates of generation of secondary/partial dislocations, hence affecting the stresses and the deformation mechanism of the structures.

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14

Chen, Chi-San, Chih-Chao Yang, Heng-Yi Chai, Jien-Wei Yeh, and Joseph Lik Hang Chau. "Novel cermet material of WC/multi-element alloy." International Journal of Refractory Metals and Hard Materials 43 (March 2014): 200–204. http://dx.doi.org/10.1016/j.ijrmhm.2013.11.005.

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15

Linton, Nathan, and Dilpuneet S. Aidhy. "A machine learning framework for elastic constants predictions in multi-principal element alloys." APL Machine Learning 1, no. 1 (March 1, 2023): 016109. http://dx.doi.org/10.1063/5.0129928.

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On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in alloy design due to large compositional space, whereas on the other, they have presented enormous computational challenges for theory-based materials design, especially density functional theory (DFT), which is inherently computationally expensive even for traditional dilute alloys. In this paper, we present a machine learning framework, namely PREDICT (PRedict properties from Existing Database In Complex alloys Territory), that opens a pathway to predict elastic constants in large compositional space with little computational expense. The framework only relies on the DFT database of binary alloys and predicts Voigt–Reuss–Hill Young’s modulus, shear modulus, bulk modulus, elastic constants, and Poisson’s ratio in MPEAs. We show that the key descriptors of elastic constants are the A–B bond length and cohesive energy. The framework can predict elastic constants in hypothetical compositions as long as the constituent elements are present in the database, thereby enabling property exploration in multi-compositional systems. We illustrate predictions in a FCC Ni-Cu-Au-Pd-Pt system.

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16

Xing, Bin, Xinyi Wang, William J. Bowman, and Penghui Cao. "Short-range order localizing diffusion in multi-principal element alloys." Scripta Materialia 210 (March 2022): 114450. http://dx.doi.org/10.1016/j.scriptamat.2021.114450.

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17

Zhao, Shijun, Yaoxu Xiong, Shihua Ma, Jun Zhang, Biao Xu, and Ji-Jung Kai. "Defect accumulation and evolution in refractory multi-principal element alloys." Acta Materialia 219 (October 2021): 117233. http://dx.doi.org/10.1016/j.actamat.2021.117233.

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18

Senkov, O. N., J. D. Miller, D. B. Miracle, and C. Woodward. "Accelerated exploration of multi-principal element alloys for structural applications." Calphad 50 (September 2015): 32–48. http://dx.doi.org/10.1016/j.calphad.2015.04.009.

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19

Islam, Nusrat, Wenjiang Huang, and Houlong L. Zhuang. "Machine learning for phase selection in multi-principal element alloys." Computational Materials Science 150 (July 2018): 230–35. http://dx.doi.org/10.1016/j.commatsci.2018.04.003.

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20

Reiberg, Marius, Jonas von Kobylinski, and Ewald Werner. "Characterization of powder metallurgically produced AlCrFeNiTi multi-principle element alloys." Continuum Mechanics and Thermodynamics 32, no. 4 (September 5, 2019): 1147–58. http://dx.doi.org/10.1007/s00161-019-00820-z.

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21

Delgado Arroyo, Diego, Tim Richter, Dirk Schroepfer, Andreas Boerner, Michael Rhode, Thomas Lindner, Bianca Preuß, and Thomas Lampke. "Influence of Milling Conditions on AlxCoCrFeNiMoy Multi-Principal-Element Alloys." Coatings 13, no. 3 (March 22, 2023): 662. http://dx.doi.org/10.3390/coatings13030662.

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Multi-Principal-Element or High-Entropy Alloys (MPEAs/HEAs) have gained increasing interest in the past two decades largely due to their outstanding properties such as superior mechanical strength and corrosion resistance. However, research studies on their processability are still scarce. This work assesses the effect of different machining conditions on the machinability of these novel alloys, with the objective of advancing the introduction of MPEA systems into industrial applications. The present study focuses on the experimental analysis of finish-milling conditions and their effects on the milling process and resulting surface finish of CoCrFeNi, Al0.3CoCrFeNi and Al0.3CoCrFeNiMo0.2 alloys fabricated via Spark Plasma Sintering. Ball-nose-end milling experiments have been carried out various milling parameters such as cutting speed, feed per cutting edge, and ultrasonic assistance. In situ measurements of cutting forces and temperature on the tool edge were performed during the experiments, and surface finish and tool wear were analyzed afterwards. The results exhibited decreasing cutting forces by means of low feed per cutting edge and reduced process temperatures at low cutting speed, with the use of ultrasonic-assisted milling. It was shown that the machinability of these modern alloys through conventional, as well as modern machining methods such as ultrasonic-assisted milling, is viable, and common theories in machining can be transferred to these novel MPEAs.

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Han, Chongyu, Hao Lu, Guojing Xu, Yurong Li, Xuemei Liu, and Xiaoyan Song. "Magnetic properties enhancement of multi-element-doped SmCo7 nanocrystalline alloys." Materials Today Physics 40 (January 2024): 101306. http://dx.doi.org/10.1016/j.mtphys.2023.101306.

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Singh, Prashant, Duane D. Johnson, Jordan Tiarks, Emma M. H. White, Andrew B. Kustas, Jonathan W. Pegues, Morgan R. Jones, et al. "Theory-guided design of duplex-phase multi-principal-element alloys." Acta Materialia 272 (June 2024): 119952. http://dx.doi.org/10.1016/j.actamat.2024.119952.

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24

Xie, Chenyang, Xuejie Li, Fan Sun, Junsoo HAN, and Kevin Ogle. "The Spontaneous Repassivation of Cr Containing Steels and Multi-Principal Element Alloys." ECS Meeting Abstracts MA2022-02, no. 11 (October 9, 2022): 735. http://dx.doi.org/10.1149/ma2022-0211735mtgabs.

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The corrosion resistance of an alloy in most environments will depend on its ability to spontaneously passivate at the corrosion potential. This is especially true for localized forms of corrosion such as occur in acidic, occluded environments during pitting and crevice corrosion. In the laboratory however, the kinetics of passivation are mainly investigated using electrochemical methods that require polarization of the material via an external power source. Spontaneous passivation cannot directly be observed by this approach. It is therefore of interest to investigate the repassivation phenomena as it occurs at open circuit, driven by the oxidizing agents present in the electrolyte. To this end, we have recently developed a methodology to determine the kinetics of spontaneous passivation using element-resolved electrochemistry (atomic spectroelechemistry, or ASEC) [1-3]. Passivation may be measured by first disrupting the original passive film using an electrochemical perturbation and then monitoring the corrosion rate as a function of time on an element-by-element basis. As the passive film reforms, the corrosion rate decreases allowing a real time monitoring of film formation. The perturbation may be either a cathodic pulse to reduce the passive film as in a conventional polarization curve experiment, or it may be an anodic pulse into the transpassive domain. In addition, the contribution of the individual alloying elements to dissolution and to passive film formation may be quantitatively accessed thereby yielding insight into one of the fundamental questions for engineering new alloys - what is the specific role of the different alloying elements? For example, it is widely recognized that for the Cr containing alloys, Cr is the primary constituent of the passive film, at least when Cr is above about 12%. However, the presence of other elements may affect the efficiency of Cr-oxide film formation, some like Mo in a beneficial way [2], others like Mn in a negative way [3]. Via a simple mass balance, the elemental dissolution rate profiles may be transformed into a time resolved elemental surface enrichment profile. This allows a direct look into the role of the alloying elements. The Figure gives an example of this approach based on the results from Ref. 3. The system under investigation was the high entropy Cantor alloy containing alloyed nitrogen in a sulfuric acid solution. The left-hand side gives the open dissolution rate for an experimental sequence of (a) open circuit, (b) cathodic activation (300 s at -0.8 V vs. SCE), (c) repassivation at open circuit (300 s). Repassivation is indicated by the initially large corrosion rate (active state) followed by the decrease of the corrosion rate as the passive film reforms. The contribution of the individual alloying elements is shown all of which dissolved congruently with the exception of Cr which was below the congruent level (black line) indicative of Cr surface enrichment. The right hand side gives the quantity of Cr enriched on the surface during the sequence calculated by mass balance. Cr dissolves during the cathodic activation but reforms as soon as the potential is released. Also shown is the Cr enrichment during an anodic step to 0.4 V which leads to a more rapid and significant build-up of surface Cr. This presentation will review the methodology of spontaneous passivation measurements for both austenitic stainless steel (304L) and for the high entropy Cantor alloy (equimolar NiFeCrCoMn) with variable Mn content. In particular, we will focus on the differences between repassivation following cathodic activation and transpassive activation. The mechanisms of spontaneous repassivation will be discussed with an emphasis on how the alloying elements influence repassivation under these two conditions. 1) K Ogle “Atomic emission spectroelectrochemistry: real-time rate measurements of dissolution, corrosion, and passivation”, Corrosion 75 (2019)1398-1419. Open access. 2) X Li, J D Henderson, F P Filice, D Zagidulin, M C Biesinger, F Sun, B Qian, D W Shoesmith, J J Noël, K Ogle, “The contribution of Cr and Mo to the passivation of Ni22Cr and Ni22Cr10Mo alloys in sulfuric acid”, Corrosion Science 176, (2020) 109015. 3) X Li, P Zhou, H Feng, Z Jiang, H Li, K Ogle, “Spontaneous passivation of the CoCrFeMnNi high entropy alloy in sulfuric acid solution: The effects of alloyed nitrogen and dissolved oxygen”, Corrosion Science 196(2022)110016. Figure 1

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Yesilcicek, Yasemin, Anncia Wetzel, Ozlem Ozcan, Julia Witt, and Matthias Dimper. "Corrosion and Mechanical Properties of Multi Principal Element Alloys Designed By Using Diffusion Couples." ECS Meeting Abstracts MA2023-02, no. 11 (December 22, 2023): 1074. http://dx.doi.org/10.1149/ma2023-02111074mtgabs.

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The efficient exploration of novel alloy chemistries is crucial for advancing the development of new materials. Diffusion-controlled synthesis of gradient alloys is an intelligent approach for creating phase diagrams and to effectively identify potential material combinations with tailored properties. This project focusses on the design of quaternary multi-principle-element alloys (MPEAs) using diffusion couples. Our diffusion system contains an equimolar ternary alloy (FeNiCr) and additional single diffusing elements e.g. Mn and Mo. We determined the optimal temperature ranges for the diffusion thermal treatment by means of ThermoCalc simulations with the aim to form single-phase MPEAs. Microstructure and chemical characterization of the diffusion couples were performed by means of scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX). For most alloy couples, the diffusion zone contained a single-phase alloy matrix with diffusion-induced compositional gradient as well as precipitation phases. This heterogeneity makes the diffusion couples interesting materials to investigate local mechanical and corrosion properties. Thus, local corrosion properties were examined using Atomic Force Microscopy (AFM) and Scanning Electrochemical Microscopy (SECM). Nanoindentation was used for the analysis of local mechanical properties. Based on the results of the local corrosion analysis, we have selected single-phase alloy chemistries along the diffusion zone and reproducibly synthesized these alloys in bulk for detailed corrosion studies by means of potentiodynamic polarization and SECM. The presentation will briefly summarize our methodology and motivation for using diffusion couples as an efficient tool for exploring phase diagrams of MPEAs in the search for new alloy chemistries and the results of our correlative study on the mechanical and corrosion properties of these materials.

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Panindre, Anup, Yehia Khalifa, Hendrik Colijn, Christopher Taylor, and Gerald S. Frankel. "Corrosion of Ru-Free Ni-Fe-Cr-Mo-W-X Multi-Principal Element Alloys." ECS Meeting Abstracts MA2022-02, no. 11 (October 9, 2022): 734. http://dx.doi.org/10.1149/ma2022-0211734mtgabs.

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In this study, the passivity and localized corrosion of single- and multi-phase Ru-free Ni-Fe-Cr-Mo-W-X (X= Mn, Al, and Cu) multi-principal element alloys (MPEAs) were studied using AC and DC electrochemical methods. While each alloy was found to resist localized pitting corrosion at ambient temperature, X-ray photoelectron spectroscopy of passivated alloy specimen surfaces revealed constituent elements to dissolve in a non-congruent manner. Heat treatment of the single-phase alloys at 800 °C to promote precipitation of hard, strength-enhancing secondary phases resulted in the formation of Cr,Mo-rich σ-type phases in varying volume fractions. Copious in-grain precipitation and several metastable phases were observed in the Al-containing MPEA. This phase transformation increased the hardness of the alloy from 180 HV to 340 HV. After the aging heat treatment, the MPEAs containing Al, Mn and Cu became susceptible to breakdown at the matrix/precipitate interface at ambient temperatures.

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Montero, Jorge, Claudia Zlotea, Gustav Ek, Jean-Claude Crivello, Lætitia Laversenne, and Martin Sahlberg. "TiVZrNb Multi-Principal-Element Alloy: Synthesis Optimization, Structural, and Hydrogen Sorption Properties." Molecules 24, no. 15 (July 31, 2019): 2799. http://dx.doi.org/10.3390/molecules24152799.

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While the overwhelming number of papers on multi-principal-element alloys (MPEAs) focus on the mechanical and microstructural properties, there has been growing interest in these alloys as solid-state hydrogen stores. We report here the synthesis optimization, the physicochemical and the hydrogen sorption properties of Ti0.325V0.275Zr0.125Nb0.275. This alloy was prepared by two methods, high temperature arc melting and ball milling under Ar, and crystallizes into a single-phase bcc structure. This MPEA shows a single transition from the initial bcc phase to a final bct dihydride and a maximum uptake of 1.7 H/M (2.5 wt%). Interestingly, the bct dihydride phase can be directly obtained by reactive ball milling under hydrogen pressure. The hydrogen desorption properties of the hydrides obtained by hydrogenation of the alloy prepared by arc melting or ball milling and by reactive ball milling have been compared. The best hydrogen sorption properties are shown by the material prepared by reactive ball milling. Despite a fading of the capacity for the first cycles, the reversible capacity of the latter material stabilizes around 2 wt%. To complement the experimental approach, a theoretical investigation combining a random distribution technique and first principle calculation was done to estimate the stability of the hydride.

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Wu, Yidong, Yuluo Li, Xuli Liu, Qinjia Wang, Xiaoming Chen, and Xidong Hui. "High strength NiMnFeCrAlCu multi-principal-element alloys with marine application perspective." Scripta Materialia 202 (September 2021): 113992. http://dx.doi.org/10.1016/j.scriptamat.2021.113992.

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29

Reiberg, M., X. Li, E. Maawad, and E. Werner. "Lattice strain during compressive loading of AlCrFeNiTi multi-principal element alloys." Continuum Mechanics and Thermodynamics 33, no. 4 (March 12, 2021): 1541–54. http://dx.doi.org/10.1007/s00161-021-00990-9.

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AbstractIn this work, multi-principal element alloys (MPEAs) with the five base elements Al, Cr, Fe, Ni and Ti plus elements in minor amounts were produced by powder metallurgy and their microstructure and elastic behavior were analyzed via light and scanning electron microscopy, electron backscatter diffraction (EBSD) and synchrotron X-ray diffraction. The two studied compositions are an MPEA with Al, Cr, Fe, Ni and Ti in equimolar ratio as well as a similar composition with a concentration of Ti reduced to 10 mol%. The goal is to analyze the microstructural behavior of these compositions during macroscopic loading in dependence of chemical composition and phases present. Analysis via synchrotron X-ray diffraction predicts the presence of body-centered cubic phases, Full Heusler-phases and C14_Laves-phases in both compositions, MPEA5 and MPEA_Ti10. Synchrotron X-ray diffraction offers the possibility to monitor the deformation of these phases during macroscopic loading of specimens. Thermodynamic calculations of stable phases predicted a microstructure of MPEA5 consisting of body-centered cubic and Full Heusler-phases at room temperature. Further calculation and X-ray diffraction experiments showed the stabilization of minor amounts of C14_Laves-phase ($$\hbox {Fe}_2\hbox {Ti}$$ Fe 2 Ti ) at room temperature with a decreasing amount of Ti. MPEA5 showed the development of long and un-branched cracks during compressive testing, which resulted in a remarkable decrease in lattice-dependent elastic moduli. MPEA_Ti10 exhibited branched cracks during compression tests. Also, the lattice-dependent elastic moduli of MPEA_Ti10 did not change notably during the compression tests. In both compositions, the Full Heusler-phase showed the lowest lattice-dependent elastic moduli, hence taking the largest share of the overall deformation among all phases present in the materials under macroscopic loading.

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30

Newell, Ryan, Zi Wang, Isabel Arias, Abhishek Mehta, Yongho Sohn, and Stephen Florczyk. "Direct-Contact Cytotoxicity Evaluation of CoCrFeNi-Based Multi-Principal Element Alloys." Journal of Functional Biomaterials 9, no. 4 (October 19, 2018): 59. http://dx.doi.org/10.3390/jfb9040059.

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Transition metal multi-principal element alloys (MPEAs) are novel alloys that may offer enhanced surface and mechanical properties compared with commercial metallic alloys. However, their biocompatibility has not been investigated. In this study, three CoCrFeNi-based MPEAs were fabricated, and the in vitro cytotoxicity was evaluated in direct contact with fibroblasts for 168 h. The cell viability and cell number were assessed at 24, 96, and 168 h using LIVE/DEAD assay and alamarBlue assay, respectively. All MPEA sample wells had a high percentage of viable cells at each time point. The two quaternary MPEAs demonstrated a similar cell response to stainless steel control with the alamarBlue assay, while the quinary MPEA with Mn had a lower cell number after 168 h. Fibroblasts cultured with the MPEA samples demonstrated a consistent elongated morphology, while those cultured with the Ni control samples demonstrated changes in cell morphology after 24 h. No significant surface corrosion was observed on the MPEAs or stainless steel samples following the cell culture, while the Ni control samples had extensive corrosion. The cell growth and viability results demonstrate the cytocompatibility of the MPEAs. The biocompatibility of MPEAs should be investigated further to determine if MPEAs may be utilized in orthopedic implants and other biomedical applications.

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31

Han, Zhenhua, Lingkun Meng, Jun Yang, Gang Liu, Jungang Yang, Ran Wei, and Guojun Zhang. "Novel BCC VNbTa refractory multi-element alloys with superior tensile properties." Materials Science and Engineering: A 825 (September 2021): 141908. http://dx.doi.org/10.1016/j.msea.2021.141908.

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32

Singh, R., P. Singh, A. Sharma, O. R. Bingol, A. Balu, G. Balasubramanian, A. Krishnamurthy, S. Sarkar, and Duane D. Johnson. "Neural-network model for force prediction in multi-principal-element alloys." Computational Materials Science 198 (October 2021): 110693. http://dx.doi.org/10.1016/j.commatsci.2021.110693.

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33

Koga, Guilherme Yuuki, Nick Birbilis, Guilherme Zepon, Claudio Shyinti Kiminami, Walter José Botta, Michael Kaufman, Amy Clarke, and Francisco Gil Coury. "Corrosion resistant and tough multi-principal element Cr-Co-Ni alloys." Journal of Alloys and Compounds 884 (December 2021): 161107. http://dx.doi.org/10.1016/j.jallcom.2021.161107.

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34

Xu, Shuozhi, Wu-Rong Jian, Yanqing Su, and Irene J. Beyerlein. "Line-length-dependent dislocation glide in refractory multi-principal element alloys." Applied Physics Letters 120, no. 6 (February 7, 2022): 061901. http://dx.doi.org/10.1063/5.0080849.

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35

Coury, Francisco G., Guilherme Zepon, and Claudemiro Bolfarini. "Multi-principal element alloys from the CrCoNi family: outlook and perspectives." Journal of Materials Research and Technology 15 (November 2021): 3461–80. http://dx.doi.org/10.1016/j.jmrt.2021.09.095.

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36

Subedi, Upadesh, Anil Kunwar, Yuri Amorim Coutinho, and Khem Gyanwali. "pyMPEALab Toolkit for Accelerating Phase Design in Multi-principal Element Alloys." Metals and Materials International 28, no. 1 (November 16, 2021): 269–81. http://dx.doi.org/10.1007/s12540-021-01100-9.

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AbstractMulti-principal element alloys (MPEAs) occur at or nearby the centre of the multicomponent phase space, and they have the unique potential to be tailored with a blend of several desirable properties for the development of materials of future. The lack of universal phase diagrams for MPEAs has been a major challenge in the accelerated design of products with these materials. This study aims to solve this issue by employing data-driven approaches in phase prediction. A MPEA is first represented by numerical fingerprints (composition, atomic size difference , electronegativity , enthalpy of mixing , entropy of mixing , dimensionless $$\Omega$$ Ω parameter, valence electron concentration and phase types ), and an artificial neural network (ANN) is developed upon the datasets of these numerical descriptors. A pyMPEALab GUI interface is developed on the top of this ANN model with a computational capability to associate composition features with remaining other input features. With the GUI interface, an user can predict the phase(s) of a MPEA by entering solely the information of composition. It is further explored on how the knowledge of phase(s) prediction in composition-varied $$\hbox {Al}_x$$ Al x CrCoFeMnNi and $$\hbox {CoCrNiNb}_x$$ CoCrNiNb x can help in understanding the mechanical behavior of these MPEAs. Graphic Abstract

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37

Roy, Ankit, Prashant Singh, Ganesh Balasubramanian, and Duane D. Johnson. "Vacancy formation energies and migration barriers in multi-principal element alloys." Acta Materialia 226 (March 2022): 117611. http://dx.doi.org/10.1016/j.actamat.2021.117611.

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38

An, Ning, Cheng-Zhi Liu, Cun-Bo Fan, Xue Dong, and Qing-Li Song. "Theory study on the bandgap of antimonide-based multi-element alloys." International Journal of Modern Physics B 31, no. 12 (May 10, 2017): 1750089. http://dx.doi.org/10.1142/s0217979217500898.

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In order to meet the design requirements of the high-performance antimonide-based optoelectronic devices, the spin–orbit splitting correction method for bandgaps of Sb-based multi-element alloys is proposed. Based on the analysis of band structure, a correction factor is introduced in the In[Formula: see text]Ga[Formula: see text]As[Formula: see text]Sb[Formula: see text] bandgaps calculation with taking into account the spin–orbit coupling sufficiently. In addition, the In[Formula: see text]Ga[Formula: see text]As[Formula: see text]Sb[Formula: see text] films with different compositions are grown on GaSb substrates by molecular beam epitaxy (MBE), and the corresponding bandgaps are obtained by photoluminescence (PL) to test the accuracy and reliability of this new method. The results show that the calculated values agree fairly well with the experimental results. To further verify this new method, the bandgaps of a series of experimental samples reported before are calculated. The error rate analysis reveals that the [Formula: see text] of spin–orbit splitting correction method is decreased to 2%, almost one order of magnitude smaller than the common method. It means this new method can calculate the antimonide multi-element more accurately and has the merit of wide applicability. This work can give a reasonable interpretation for the reported results and beneficial to tailor the antimonides properties and optoelectronic devices.

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39

Smeltzer, Joshua A., Christopher J. Marvel, B. Chad Hornbuckle, Anthony J. Roberts, Joseph M. Marsico, Anit K. Giri, Kristopher A. Darling, Jeffrey M. Rickman, Helen M. Chan, and Martin P. Harmer. "Achieving ultra hard refractory multi-principal element alloys via mechanical alloying." Materials Science and Engineering: A 763 (August 2019): 138140. http://dx.doi.org/10.1016/j.msea.2019.138140.

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40

Gianelle, M., A. Kundu, K. P. Anderson, A. Roy, G. Balasubramanian, and Helen M. Chan. "A novel ceramic derived processing route for Multi-Principal Element Alloys." Materials Science and Engineering: A 793 (August 2020): 139892. http://dx.doi.org/10.1016/j.msea.2020.139892.

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41

Derimow, N., B. E. MacDonald, E. J. Lavernia, and R. Abbaschian. "Duplex phase hexagonal-cubic multi-principal element alloys with high hardness." Materials Today Communications 21 (December 2019): 100658. http://dx.doi.org/10.1016/j.mtcomm.2019.100658.

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42

Sahu, Sarita, Orion J. Swanson, Tianshu Li, Angela Y. Gerard, John R. Scully, and Gerald S. Frankel. "Localized Corrosion Behavior of Non-Equiatomic NiFeCrMnCo Multi-Principal Element Alloys." Electrochimica Acta 354 (September 2020): 136749. http://dx.doi.org/10.1016/j.electacta.2020.136749.

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43

Xiao, Yuan, Yu Zou, Alla S. Sologubenko, Ralph Spolenak, and Jeffrey M. Wheeler. "Size-dependent strengthening in multi-principal element, face-centered cubic alloys." Materials & Design 193 (August 2020): 108786. http://dx.doi.org/10.1016/j.matdes.2020.108786.

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44

Xu, Shuozhi, Abdullah Al Mamun, Sai Mu, and Yanqing Su. "Uniaxial deformation of nanowires in 16 refractory multi-principal element alloys." Journal of Alloys and Compounds 959 (October 2023): 170556. http://dx.doi.org/10.1016/j.jallcom.2023.170556.

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45

Besson, Rémy. "Cluster variation method for investigation of multi-principal-element metallic alloys." Journal of Alloys and Compounds 952 (August 2023): 170067. http://dx.doi.org/10.1016/j.jallcom.2023.170067.

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46

A. Khachatrian, A. "Calculation of the linear coefficient of thermal expansion of multi-element, single-phase metal alloys from the first principles." Uspihi materialoznavstva 2021, no. 2 (June 1, 2021): 10–18. http://dx.doi.org/10.15407/materials2021.02.010.

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One of the possible ways to calculate the coefficient of thermal expansion is a method based on determining the dependence of the total energy of the electron-ion system on the parameters of the crystal lattice at different temperatures. There is a relationship between the calculated values of the linear coefficients of thermal expansion and the melting point of the material. For metals and multi-element single-phase alloys, the dependence of the function V = α·Tmax on the parameter T/Tmax (α — the linear coefficients of thermal expansion, Tmax — melting point of the material) is obtained from the first principles, which has the same form for all single-phase multi-element metal alloys and is presented analytically. Using the method of pseudopotential and quasiharmonic approximation, the linear coefficients of thermal expansion of multi-element metal alloys are calculated. The temperature dependence of the coefficient of thermal expansion, after approximating the results of the computational experiment, is presented in analytical form. The results were compared with known tabular data. To confirm the reliability of the model, the calculation was performed for a number of pure metals. The consistency of the calculated and experimental data on the coefficient of thermal expansion of single-phase alloys calculated from the first principles is observed. There is a relationship between the calculated values of the linear coefficients of thermal expansion and the melting point of the material. For metals and multi-element single-phase alloys, the dependence of the function V = α·Tmax on the parameter T/ Tmax (α — the linear coefficients of thermal expansion, Tmax — melting point of the material) is obtained from the first principles, which has the same form for all single-phase multi-element metal alloys and is presented analytically. Keywords: Electron-ion system energy, interatomic interaction potential, force constants, quasiharmonic approximation, coefficient of thermal expansion.

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47

Khalikov, Albert R., Evgeny A. Sharapov, Vener A. Valitov, Elvina V. Galieva, Elena A. Korznikova, and Sergey V. Dmitriev. "Simulation of Diffusion Bonding of Different Heat Resistant Nickel-Base Alloys." Computation 8, no. 4 (November 30, 2020): 102. http://dx.doi.org/10.3390/computation8040102.

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Currently, an important fundamental problem of practical importance is the production of high-quality solid-phase compounds of various metals. This paper presents a theoretical model that allows one to study the diffusion process in nickel-base refractory alloys. As an example, a two-dimensional model of ternary alloy is considered to model diffusion bonding of the alloys with different compositions. The main idea is to divide the alloy components into three groups: (i) the base element Ni, (ii) the intermetallic forming elements Al and Ti and (iii) the alloying elements. This approach allows one to consider multi-component alloys as ternary alloys, which greatly simplifies the analysis. The calculations are carried out within the framework of the hard sphere model when describing interatomic interactions by pair potentials. The energy of any configuration of a given system is written in terms of order parameters and ordering energies. A vacancy diffusion model is described, which takes into account the gain/loss of potential energy due to a vacancy jump and temperature. Diffusion bonding of two dissimilar refractory alloys is modeled. The concentration profiles of the components and order parameters are analyzed at different times. The results obtained indicate that the ternary alloy model is efficient in modeling the diffusion bonding of dissimilar Ni-base refractory alloys.

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48

Sadeghilaridjani, Maryam, and Sundeep Mukherjee. "High-Temperature Nano-Indentation Creep Behavior of Multi-Principal Element Alloys under Static and Dynamic Loads." Metals 10, no. 2 (February 13, 2020): 250. http://dx.doi.org/10.3390/met10020250.

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Creep is a serious concern reducing the efficiency and service life of components in various structural applications. Multi-principal element alloys are attractive as a new generation of structural materials due to their desirable elevated temperature mechanical properties. Here, time-dependent plastic deformation behavior of two multi-principal element alloys, CoCrNi and CoCrFeMnNi, was investigated using nano-indentation technique over the temperature range of 298 K to 573 K under static and dynamic loads with applied load up to 1000 mN. The stress exponent was determined to be in the range of 15 to 135 indicating dislocation creep as the dominant mechanism. The activation volume was ~25b3 for both CoCrNi and CoCrFeMnNi alloys, which is in the range indicating dislocation glide. The stress exponent increased with increasing indentation depth due to higher density and entanglement of dislocations, and decreased with increasing temperature owing to thermally activated dislocations. The results for the two multi-principal element alloys were compared with pure Ni. CoCrNi showed the smallest creep displacement and the highest activation energy among the three systems studied indicating its superior creep resistance.

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Geanta, Victor, Robert Ciocoiu, and Ionelia Voiculescu. "Low Density Multi-principal Element Alloy from Al-Mg-Ca-Si-B System." Revista de Chimie 70, no. 7 (August 15, 2019): 2315–20. http://dx.doi.org/10.37358/rc.19.7.7330.

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The scientific paper presents a numerical modeling of the chemical composition for the optimization of the multicomponent light alloys in the Al-Mg-Ca-Si-B system. The effects of the proportion of each chemical element on the main characteristics of the alloy based on the mixture rule and the correlation between the melting temperature and the modulus of elasticity were analyzed numerically. The model results has reveals that even other factors must be taken into account, i.e. the mechanical characteristics which varied significantly with changing of chemical compositions. A compromise was set, by slightly increasing the density to acquire better mechanical characteristics. The selected chemical composition was then used to obtain the new low density alloy. In current research stage we conclude that the as cast alloy comprises an inhomogeneous solid solution and complex oxides. Further studies are ongoing on the experimental alloy in various states (homogenization annealed and processed by plastic deformation).

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50

Ni, Zengyu, Ziyue Li, Rui Shen, Siyuan Peng, Haile Yan, and Yanzhong Tian. "Achieving Excellent Strength-Ductility Balance in Single-Phase CoCrNiV Multi-Principal Element Alloy." Materials 16, no. 19 (October 1, 2023): 6530. http://dx.doi.org/10.3390/ma16196530.

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CoCrNi alloys exhibit excellent strength and ductility. In this work, the CoCrNiV multi-principal alloy with single-phase fine grained (FG) structure was prepared by rolling and heat treatment. The characteristics of deformation microstructures and mechanical properties were systematically investigated by scanning electron microscope (SEM) and transmission electron microscope (TEM). The results indicate that the CoCrNiV alloy successfully attains a yield strength of 1060 MPa while maintaining a uniform elongation of 24.1%. The enhanced strength originates from FG structure and severe lattice distortion induced by V addition. Meanwhile, the exceptional ductility arises from the stable strain-hardening ability facilitated by dislocations and stacking faults. The deformation mechanisms and the optimization strategies for attaining both strength and ductility are thoroughly discussed.

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