Article
Nanoscience & Nanotechnology
Reza Darvishi Kamachali, Lei Wang
Summary: The study derives the elastic energy of mixing for multi-component solid solutions by generalizing Eshelby's model and proposes that most solid solution multi-component alloys are stable when lambda* < 0.16. It also reveals that the polydispersity index delta can directly represent the elastic energy, providing support for quantitative assessments of the thermodynamic properties of high-entropy alloys.
SCRIPTA MATERIALIA
(2022)
Review
Materials Science, Multidisciplinary
Mohammad Reza Zamani, Milad Roostaei, Hamed Mirzadeh, Mehdi Malekan, Min Song
Summary: This study investigates the relationship between the parameters of cold rolling and annealing process, interstitial element content, and their interactions in the processing and grain refinement of interstitial-containing high-entropy alloys (HEAs). Machine learning models and mathematical relationships are proposed to guide the design and prediction of the microstructure and properties of HEAs.
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Khurshed Alam, Geonwoo Jeong, Woohyung Jang, Hoonsung Cho
Summary: This study proposes a new synthesis route for a high-entropy alloy (HEA) using radio-frequency magnetron sputtering and evaluates its effectiveness. The development of HEAs with diversification of elements is important for expanding the usage of materials in harsh environments. A reproducible single target sputtering system is introduced, which allows for tailoring the elemental compositions of the alloy for optimized mechanical and biomedical applications.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Nan Qu, Yong Liu, Yan Zhang, Danni Yang, Tianyi Han, Mingqing Liao, Zhonghong Lai, Jingchuan Zhu, Lin Zhang
Summary: High entropy alloys (HEAs) have garnered attention for their diverse structures and unique properties. Structure prediction plays a crucial role in HEAs development, and a new phase selection strategy has been proposed in this study to accurately predict phase formation, showing a high test accuracy of 93% and facilitating the development of HEAs.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Nan Qu, Yong Liu, Yan Zhang, Danni Yang, Tianyi Han, Mingqing Liao, Zhonghong Lai, Jingchuan Zhu, Lin Zhang
Summary: A new phase selection strategy for high entropy alloys (HEAs) was proposed using a large dataset, achieving high accuracy in predicting phase formation, which provides an alternative route for accelerating the development of HEAs.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Payden Brown, Houlong Zhuang
Summary: This study prepares for the future challenge in discovering new high-entropy alloys (HEAs) by using a quantum computer simulator and quantum processors. The testing accuracy using a quantum computer is comparable to that of a classical artificial neural network (ANN), while slightly lower accuracy is obtained when using quantum processors. This work demonstrates the feasibility of employing fledgling quantum computers in the noisy intermediate-scale quantum (NISQ) era for HEA discovery.
Article
Chemistry, Multidisciplinary
Khalid Usman, Doori Kang, Geonwoo Jeong, Khurshed Alam, Athira Raveendran, Jinhui Ser, Woohyung Jang, Hoonsung Cho
Summary: High-entropy alloys (HEAs) with more than five alloying elements and slight atomic size variation are being studied for their corrosion behaviors as biomaterials, particularly in implants. Coatings composed of biocompatible elements were synthesized using high-vacuum radiofrequency magnetron (HVRF) sputtering. Coating thickness was influenced by ion densities, while heat treatment temperatures affected crystallinity. Samples coated at lower ion densities and without heat treatment showed superior corrosion and biocompatibility.
Article
Materials Science, Multidisciplinary
Lu Xie, Guangda Wu, Qing Peng, Junpeng Liu, Dongyue Li, Wenrui Wang
Summary: The influence of grain size and temperature on the mechanical properties of polycrystalline CoCrFeNi HEAs was investigated via molecular dynamics simulations. The results showed a correlation between tensile strength and dislocation density, and an increase in tensile strength at low temperatures was attributed to an increase in dislocation density.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Mengdi Zhang, Xinliang Shi, Ziyang Li, Hanqing Xu, Gong Li
Summary: In this study, a novel CrFeNi2-based multi-component alloy system was designed and investigated for its corrosion behaviors in a salt solution. The results showed that the CrFeNi2-based alloys exhibited better corrosion resistance due to the compact and stable oxide films. All examined specimens in the alloy system suffered localized corrosion, while the Co-free CrFeNi2 alloy demonstrated the best corrosion resistance.
Article
Chemistry, Physical
Shuo Feng, Huadong Fu, Huiyu Zhou, Yuan Wu, Zhaoping Lu, Hongbiao Dong
Summary: A general and transferable deep learning (GTDL) framework is proposed for predicting phase formation in materials, achieving excellent performance in case studies on glass-forming ability and high-entropy alloys by sharing feature extractors, benefiting tasks with small datasets.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Christian M. Clausen, Olga A. Krysiak, Lars Banko, Jack K. Pedersen, Wolfgang Schuhmann, Alfred Ludwig, Jan Rossmeisl
Summary: Compositionally complex materials, such as high-entropy alloys and oxides, have the potential to be efficient catalyst platforms due to their vast chemical space. However, determining the composition of active catalyst materials requires understanding the descriptor-activity relationship, which is challenging experimentally. In this study, we show that inferred adsorption energy distributions on complex solid solution surfaces can predict the electrocatalytic performance of oxygen reduction reaction in the Ag-Pd-Pt-Ru system with high accuracy.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Materials Science, Multidisciplinary
Cheng Xu, Ningning Geng, Qingchun Xiang, Yingdong Qu, Bo Yu, Keqiang Qiu
Summary: The microstructure, phase structure, mechanical properties, and damping capacity of AlxFe2CrNiCu (x = 0.0, 0.5, 0.75, 1.0, 1.5) high entropy alloys were investigated. It was found that adjusting the volume fraction of BCC and FCC phases can affect the damping capacity of the alloys.
MATERIALS RESEARCH EXPRESS
(2021)
Article
Chemistry, Physical
Chuangye Wang, Wei Zhong, Ji-Cheng Zhao
Summary: This study employed CALPHAD and machine learning approaches to analyze phase formation in high entropy alloys. CALPHAD showed good capabilities in predicting phase formation, and it was found that atomic size difference between elements affects phase formation. Machine learning algorithms were also used to study phase selection rules, achieving high prediction accuracies.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Changjun Cheng, Xiaofu Zhang, Michel J. R. Hache, Yu Zou
Summary: In this study, nanocrystalline refractory high-entropy alloy (HEA) thin films were fabricated with a large range of compositions, and their mechanical properties were measured revealing trends in hardness and elastic modulus. The changes in hardness were attributed to a combination of atomic size, modulus effects, and texture effects. The authors also proposed open questions for future studies on this and related HEA systems.
Article
Materials Science, Multidisciplinary
Yan Jiang, Yirong Liu, Min Chen, Xuefeng Zhang, Longfei Zeng, Zhiqiang Jiang, Jiaping Han, Xuan Xiao
Summary: By reducing the Zr concentration, the mechanical properties of the equimolar TiVNbZr alloy at high temperatures can be improved. The fabricated Zrx alloys showed higher strength than TiVNbZr at temperatures above 800 degrees C, but exhibited some special mechanical responses at 800 degrees C, including cracks along grain boundaries and brittle fracture. Local stress concentration and phase transformation were responsible for these responses.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Physical
Amit Datye, Jittisa Ketkaew, Jan Schroers, Udo D. Schwarz
JOURNAL OF ALLOYS AND COMPOUNDS
(2020)
Article
Materials Science, Multidisciplinary
Sebastian A. Kube, Wenting Xing, Arvind Kalidindi, Sungwoo Sohn, Amit Datye, Dor Amram, Christopher A. Schuh, Jan Schroers
Article
Materials Science, Multidisciplinary
Rodrigo Miguel Ojeda Mota, Naijia Liu, Sebastian Alexander Kube, John Chay, Hayley D. McClintock, Jan Schroers
APPLIED MATERIALS TODAY
(2020)
Article
Chemistry, Multidisciplinary
Sebastian A. Kube, Kevin Turke, Rudiger Ellinghaus, Dirk Wallacher, Matthias Thommes, Bernd M. Smarsly
Article
Nanoscience & Nanotechnology
Sebastian A. Kube, Jan Schroers
SCRIPTA MATERIALIA
(2020)
Article
Materials Science, Multidisciplinary
Jianping Lai, Wen Hu, Amit Datye, Jingbei Liu, Jan Schroers, Udo D. Schwarz, Jiaxin Yu
Summary: A high-throughput approach based on magnetron co-sputtering of alloy libraries is employed to investigate the mechanical properties of crystalline and amorphous alloys in a ternary palladium-tungsten-silicon system. The study reveals significant differences in plastic deformation mechanisms between amorphous and crystalline alloys, with amorphous alloys exhibiting a much smaller fluctuation range in plasticity parameters due to inhomogeneous deformation localized in thin shear bands. The proposed composition-dependent atomic structural models based on an efficient cluster packing model help to understand the structure-property relationships of amorphous alloys in the Pd-W-Si alloy system.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Engineering, Mechanical
Shipra Bajpai, Ambreen Nisar, Rupesh Kumar Sharma, Udo D. Schwarz, Kantesh Balani, Amit Datye
Summary: Zirconium based BMGs with a fictive temperature of 0.91T(g) exhibit the highest hardness, effective elastic modulus, and wear resistance, making them a promising candidate for applications requiring high wear resistance. As the fictive temperature increases, hardness and elastic modulus decrease, leading to varying wear resistance performance.
Article
Nanoscience & Nanotechnology
Z. Chen, Y. Xie, A. Datye, J. Thornton, J. Schroers, J. J. Cha, U. D. Schwarz
Summary: Replication of single-crystalline strontium titanate (STO) surfaces through thermoplastic forming with an alloy results in a perfect angstrom-scale replication, while a partially amorphous surface layer is retained even after heating above typical bulk crystallization temperatures. This layer not only helps improve the mechanical and chemical properties of parts, but also provides stability at high temperatures.
MATERIALS TODAY NANO
(2021)
Article
Engineering, Mechanical
Wanfu Dong, Jianping Lai, Jiaxin Yu, Udo D. Schwarz, Yifan Zhang, Kun Zhu, Amit Datye
Summary: Understanding the structure-property relationship is essential for designing metallic glasses with advanced properties. In this study, nanoscratching experiments were conducted to establish a correlation between the structure and nano-tribological behavior of Zr-based metallic glasses. The results showed that the scratching depth and residual depth of the scratch track increased with an increase in the material's fictive temperature. Additionally, the effect of the fictive temperature on the friction coefficient varied with the applied load, with adhesion-induced friction dominating at low loads and plowing dominating at high loads. The study also revealed the occurrence of scratch-induced yielding and suggested the possibility of using ramping load scratching to characterize the ductile-to-brittle transition of metallic glasses as an alternative to time-consuming fracture tests.
Article
Multidisciplinary Sciences
Sebastian A. Kube, Sungwoo Sohn, Rodrigo Ojeda-Mota, Theo Evers, William Polsky, Naijia Liu, Kevin Ryan, Sean Rinehart, Yong Sun, Jan Schroers
Summary: The authors propose a new method to measure the fragility of metallic glass forming liquids and find significant variations in fragility across Mg-Cu-Y alloys. Contrary to conventional understanding, low fragility does not necessarily correlate with high glass-forming ability. The introduction of crystallization complexity provides an additional contribution to modeling glass forming ability.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Ceramics
Zahid Anwer, Jozef Vleugels, Amit Datye, Shuhan Zhang, Shuigen Huang
Summary: The influence of varying carbon content on the microstructure and mechanical properties in the (V, Nb,Ta,Ti,W)C -12 vol% Ni system was investigated. The results revealed the impact of carbon content on eutectic temperature, carbide grain size and morphology, phase stability, and mechanical properties in high entropy carbide (V,Nb,Ta,Ti,W)C-Ni cermets. Additionally, the phase stability and chemical reactivity with steel of the High Entropy Carbide (HEC) cermets were assessed and compared to conventional WC-Co cemented carbides at 1200 degrees C.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Chiamaka Okafor, Amit Datye, Shuhan Zhang, Udo D. Schwarz, Yong Cai, Norman Munroe
Summary: This study successfully improved the mechanical and degradation properties of Mg-based bioresorbable stent materials by incorporating lithium. The enhancement was achieved through the reduction of secondary phases, formation of a lithium carbonate surface coating, and phase transformation.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Weiwei Jin, Amit Datye, Udo D. Schwarz, Mark D. Shattuck, Corey S. O'Hern
Summary: By investigating non-affine displacement fields in two-dimensional Lennard-Jones models of metallic glasses under athermal, quasistatic simple shear conditions, it was found that quadrupolar displacement fields form and dissipate during both quasi-elastic segments and shear stress drops.
Article
Materials Science, Multidisciplinary
Jiaxin Yu, Amit Datye, Zheng Chen, Chao Zhou, Omur E. Dagdeviren, Jan Schroers, Udo D. Schwarz
Summary: Using atomic force microscopy-based indentation, the yield stress, onset of yielding, and atomic-scale plastic flow of a platinum-based bulk metallic glass containing approximately 1000 atoms were studied. The study showed that the variations in glass properties due to fluctuations of free volume are much smaller than previously suggested.
COMMUNICATIONS MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Ling Shao, Jittisa Ketkaew, Pan Gong, Shaofan Zhao, Sungwoo Sohn, Punnathat Bordeenithikasem, Amit Datye, Rodrigo Miguel Ojeda Mota, Naijia Liu, Sebastian Alexander Kube, Yanhui Liu, Wen Chen, Kefu Yao, Sujun Wu, Jan Schroers
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.