Article
Metallurgy & Metallurgical Engineering
Mao Zhang, Yun-fei Ma, Ting Huang, Pan Gong, Ying Wang, Hong -jun Cai, Qiao-min LI, Xin-yun Wang, Lei Deng
Summary: Cu64Zr36 metallic glass powders were prepared and the high-temperature oxidation behavior of the powders was investigated. Multiple layers of surface oxides containing t-ZrO2, m-ZrO2, Cu2O and CuO were observed. The oxidation kinetics followed a double-stage parabolic rate law, with inward diffusion of O anions and outward diffusion of Cu cations dominating the process. Thermodynamic analysis showed that smaller particle sizes led to a more rapid and thorough oxidation.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2023)
Article
Materials Science, Ceramics
Wen-Ping Wu, D. Sopu, X. Yuan, O. Adjaoud, K. K. Song, J. Eckert
Summary: This paper studies the tensile creep behavior of Cu64Zr36 metallic glass through molecular dynamics simulations, discussing the effects of stress and temperature on activated states evolution, predicting creep failure time, and identifying three creep mechanisms. The study reveals that different stress and temperature regimes are dominated by various creep mechanisms involving atomic diffusion, anelastic deformation, and local inhomogeneous shear deformation. These mechanisms help to understand the creep behavior and describe the relationship between creep behavior and mechanical relaxations in metallic glasses.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Materials Science, Characterization & Testing
Chetarpa Yipyintum, Jin-Yoo Suh, Boonrat Lohwongwatana
Summary: The effect of shear strain rate on the crystallization behavior and characteristic temperatures of three well-known glass formers (Cu50Zr50, Cu56Zr44, and Cu64Zr36) in the Cu-Zr binary amorphous system was investigated. It was found that the crystallization behavior of Cu64Zr36 was heavily dependent on shear strain rate. Crystallization kinetics were studied using isochronal and isothermal transformation, and the activation energy of crystallization was compared and contrasted. Johnson-Mehl-Avrami (JMA) analysis was employed to study the kinetics behavior. High angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) combined with laser-assisted local electrode atom probe (LEAP) investigation revealed no detectable clustering or phase separation.
Article
Materials Science, Multidisciplinary
Xiaoqian Lu, Shidong Feng, Lin Li, Yanhui Zhang, Xiaoying Wang, Zijing Li, Limin Wang
Summary: Deformation-induced rejuvenation is a promising strategy to improve the macroscopic plasticity of metallic glasses. In this study, molecular dynamics simulations are used to investigate the atomic structure and mechanical behavior of rejuvenated metallic glasses with high-pressure torsion processing. The results show that high-pressure torsion processing can improve the microstructural heterogeneity of metallic glasses and control their transition from brittleness to ductility.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2022)
Article
Physics, Multidisciplinary
Qi Qiao, Ji Wang, Zhengqing Cai, Shidong Feng, Zhenqiang Song, Benke Huo, Zijing Li, Li-Min Wang
Summary: By adding beryllium to the alloy, bulk metallic glasses (BMGs) with favorable compressive plasticity are fabricated. The icosahedral quasi-crystalline phase competes with amorphous phases, and icosahedral local orders are the main local atomic motifs in amorphous phases. The alloy exhibits similar characteristics to highly plastic amorphous systems.
Article
Chemistry, Physical
Bida Zhu, MinSheng Huang, Zhenhuan Li, Juan Du, Yuanzun Sun, Manru He, Yixiong Zhang
Summary: The effects of irradiation on the microstructure and mechanical properties of Cu64Zr36 metallic glasses were investigated through large-scale molecular dynamics simulations. Prolonged irradiation led to a decrease in density and Cu-centered full icosahedron clusters, altering the deformation mode and enhancing ductility of the samples. The irradiation-induced ductility enhancement was attributed to two mechanisms: strain energy release through STZ activation and shear band propagation restraint via the STZ-vortex mechanism.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Yuan Liu, Jingrun Luo, Xin Huang
Summary: This study provides direct evidence for the existence of medium range order (MRO) defects in metallic glasses through a combination of experimental and computational technologies. The findings highlight the critical role of MRO defects in the mechanical failure process of metallic glasses.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Tzu-Yi Chang, Zhengming Wang, Donghua Xu
Summary: This study focuses on the formation energetics/dynamics of ICO clusters in liquid Cu64Zr36 and Ta. By combining MD simulations with statistical and theoretical analysis, the formation Gibbs free energy, entropy, enthalpy of ICO clusters in the two liquids are presented. The results are discussed in connection with liquid composition, degree of randomness, potential energy landscape, and glass transition.
JOURNAL OF MATERIALS RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Tzu-Yi Chang, Zhengming Wang, Donghua Xu
Summary: This study investigates the structure and atomic energy states of supercooled liquid and glass phases in Cu-Zr alloy series. It is found that with increasing Zr content, the core-shell energy difference of icosahedral clusters increases, making them harder to break, thereby enhancing glass-forming ability.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
Wenfei Lu, Zhilue Wang, Hongping Xiang, Aihan Feng, Jun Shen
Summary: The atomic-level structures of icosahedral clusters in Cu-Zr-Al ternary metallic glasses were studied using first-principles theory. The stability rules for icosahedra were determined, showing that better chemical order and symmetry result in better stability. Strong connectivity between Al atoms and Cu-Zr atoms was observed, with Al atoms playing a greater role in structural stability when used as the central atom. Therefore, adding even a small amount of Al atom can significantly improve the stability of icosahedral structures in the Cu-Zr binary system, but further additions have a lower contribution to the glass-forming ability of Cu-Zr-Al alloys.
MATERIALS RESEARCH EXPRESS
(2022)
Article
Materials Science, Multidisciplinary
Yuhui Zhu, Weizhen Wang, Yuanyuan Song, Shiming Zhang, Hong Li, Aimin Wang, Haifeng Zhang, Zhengwang Zhu
Summary: This study reports the occurrence of atomic-scale structural clustering and atomic arrangements during isothermal annealing. The evolution of atomic-scale structures is closely related to composition variation and has important implications for the chemical and topological packing during the early crystallization stage of metallic glasses.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Astronomy & Astrophysics
P. Heinamaki, P. Teerikorpi, M. Douspis, P. Nurmi, M. Einasto, M. Gramann, J. Nevalainen, E. Saar
Summary: Superclusters are systems with varied properties and fractional overdensities, whose dynamical states evolve under the influence of dark energy and gravitational force. This study extracted a sample of quasi-spherical superclusters from SDSS DR7 data, finding that these systems have higher mass-to-light ratios and are gravitationally bound at the present epoch, forming a special class between unbound superclusters and galaxy clusters.
ASTRONOMY & ASTROPHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Tianding Xu, Xiao-Dong Wang, Eric M. Dufresne, Yang Ren, Qingping Cao, Dongxian Zhang, Jian-Zhong Jiang
Summary: Anomalous fast atomic dynamics were discovered in a metallic glass with good glass forming ability, mainly attributed to the increased mobility of Cu atoms by Ag addition, leading to the formation of structural heterogeneity at the atomic level.
MATERIALS TODAY PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Hongzhen Li, Zhen Li, Jian Yang, Hai Bo Ke, Baoan Sun, Chen Chen Yuan, Jiang Ma, Jun Shen, Wei Hua Wang
Summary: Developing materials with excellent properties has always been a relentless pursuit of mankind. Metallic glasses (MGs) could be the ideal metallic materials if their size could be scaled up to be comparable to traditional metals. Various methods have been attempted to address this challenge, including thermodynamics-based alloy, 3D printing, and the recent artificial intelligence-guided optimal alloy. In this study, a simple and flexible approach was demonstrated to manufacture giant MGs (GMGs) with diameters more than 100 mm through the thermo-joining process. The jointed GMG samples exhibit almost the same performance as the as-cast ones, and the ability to manufacture complex 3D components such as the Chinese Zodiacs was also demonstrated. This approach may overcome the longstanding problem of glass forming ability (GFA) limitations in alloy systems and pave the way for fabricating size unlimited MGs.
SCIENCE CHINA-MATERIALS
(2021)
Article
Astronomy & Astrophysics
J. D. Penaranda-Rivera, D. L. Paipa-Leon, S. D. Hernandez-Charpak, J. E. Forero-Romero
Summary: This study explores the advantages of defining superclusters as watershed basins in the divergence velocity field, providing a robust context for quantitative comparison of results across different observational or computational frameworks. It reveals a linear scaling relation between the average supercluster size and the autocorrelation length in the divergence field, suggesting that supercluster properties depend on cosmological parameters.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Severin Kuechler, Vladimir Vojtech, Stephan S. A. Gerstl, Robin E. Schaeublin, Joerg F. Loeffler
Summary: Binary Fe-Cr alloys are model alloys for ferritic steels proposed as structural materials for future fusion reactors. Through investigating the degradation mechanisms induced by heat and irradiation, the phase decomposition and hardness changes of Fe-Cr alloys were studied. The relationship between alloy strength and the α' structure was found, showing that this type of hardening is a general mechanism for mature systems, independent of the nominal alloy composition.
ADVANCED ENGINEERING MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Martina Cihova, Eike Muller, Yashoda Chandorkar, Kerstin Thorwarth, Giuseppino Fortunato, Katharina Maniura-Weber, Jorg F. Loffler, Markus Rottmar
Summary: The study demonstrates that an amorphous metal based on palladium shows substantial thrombogenic resistance compared to a state-of-the-art titanium alloy, reducing platelet activation and delaying fibrin formation in contact with human whole blood. However, it also promotes platelet spreading, challenging the traditional view that spreading equals activation. Mechanistic analysis reveals changes in adhered fibrinogen and modified alpha(IIb)beta(3) integrin expression as factors underlying the superior performance of Pd glass in direct blood-contact applications. Structural, thermophysical, and physicochemical characterization further supports the potential of Pd-based glass as a promising bulk material for blood-contacting devices without the need for additional coatings.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Multidisciplinary Sciences
Alexander Firlus, Mihai Stoica, Stefan Michalik, Robin E. Schaeublin, Joerg F. Loeffler
Summary: The Invar effect in Fe-based bulk metallic glasses is widely observed, but its manifestation at the atomic scale is not well understood. In this study, in-situ X-ray diffraction was used to investigate the structural transformations of two bulk metallic glasses, revealing that the Invar effect is consistent with macroscopic thermal expansion and correlated with Fe-Fe pair distance.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Valeria Jana Schwanitz, August Wierling, Mehmet Efe Biresselioglu, Massimo Celino, Muhittin Hakan Demir, Maria Balazinska, Mariusz Kruczek, Manfred Paier, Demet Suna
Summary: With the ongoing digitalization of the energy sector, the issue of wasted scholarly data investments and missed opportunities in utilizing existing data is worsening. This is compounded by incomplete knowledge reproduction, hindering the transparency of science-based targets in the energy transition. While the FAIR data guiding principles are widely recognized as a way forward, there is still no consensus on their implementation in different research domains. This study comprehensively tests FAIR data practices in the low carbon energy research domain and proposes actionable steps to overcome data issues.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Multidisciplinary
Barbara Ferrucci, Francesco Buonocore, Simone Giusepponi, Awad Shalabny, Muhammad Y. Bashouti, Massimo Celino
Summary: Using density functional theory calculations, the effects of surface functionalization on the energy and electronic properties of hydrogenated and chlorinated silicon nanowires were investigated. The band structure was found to be strongly influenced by the nanowire diameter, while the passivation species led to substantial changes in the formation energy. Absorption of an octane moiety on the silicon nanowire surfaces did not substantially affect the electronic properties, with no generation of energy levels within the band gap and a moderate change in the band gap. However, a significant charge transfer from the silicon nanowires to the octane moiety was calculated.
Article
Materials Science, Multidisciplinary
R. E. Schaublin, M. Becker, M. Cihova, S. S. A. Gerstl, D. Deiana, C. Hebert, S. Pogatscher, P. J. Uggowitzer, J. F. Loffler
Summary: The impact of Zn and Ca on the microstructure of lean Mg-Zn-Ca alloys was investigated. The precipitation of binary and ternary precipitates was observed at different temperatures. Hardness testing revealed that GP zones were the most effective factor in hardening.
Article
Materials Science, Multidisciplinary
V. Vojtech, M. Charilaou, A. Kovacs, A. Firlus, S. S. A. Gerstl, R. E. Dunin-Borkowski, J. F. Loeffler, R. E. Schaeublin
Summary: The Fe-Cr alloy system can undergo phase separation and embrittlement when exposed to elevated temperatures and radiation, affecting its magnetic properties. By studying the microstructural decomposition induced by annealing, it is found that increasing annealing time leads to increased hardness, magnetic saturation, and coercivity.
Article
Chemistry, Physical
Awad Shalabny, Francesco Buonocore, Massimo Celino, Lu Zhang, Kasra Sardashti, Michael Haerth, Dirk W. Schubert, Muhammad Y. Bashouti
Summary: The need to develop new energy storage technology has led to a deeper investigation into materials science, focusing on the use of silicon nanowires as energy storage material. The study emphasizes the significance of redox potential and work function in the charging and discharging process of batteries. By modifying the surface electronic properties of silicon nanowires, higher stability and efficiency can be achieved.
APPLIED SURFACE SCIENCE
(2022)
Article
Nuclear Science & Technology
S. Giusepponi, F. Buonocore, M. Celino, M. Lupo Pasini, A. Frattolillo, S. Migliori
Summary: Research on the injection of high-speed cryogenic pellets made of frozen hydrogen-isotopes and very large pellets composed of cryogenic solid with suitable impurities has shown effectiveness in fueling magnetically confined thermonuclear fusion plasmas and reducing damage risks. Pipe gun injectors are reliable and commonly used devices for this purpose.
FUSION ENGINEERING AND DESIGN
(2022)
Article
Crystallography
Julie Soderlind, Aiden A. Martin, Nicholas P. Calta, Philip J. DePond, Jenny Wang, Bey Vrancken, Robin E. Schaeublin, Indranil Basu, Vivek Thampy, Anthony Y. Fong, Andrew M. Kiss, Joel M. Berry, Aurelien Perron, Johanna Nelson Weker, Kevin H. Stone, Christopher J. Tassone, Michael F. Toney, Anthony Van Buuren, Joerg F. Loeffler, Subhash H. Risbud, Manyalibo J. Matthews
Summary: This study investigates the laser-material interaction and microstructure of magnesium-based alloy WE43 under laser powder bed fusion (LPBF) conditions. The results reveal the characteristics of melt-pool dynamics, pore formation, and microstructure under different laser parameters, providing critical information for the successful implementation of LPBF-produced WE43 implants in biomedical applications.
Article
Materials Science, Multidisciplinary
Kan Ma, Brigitte Decamps, Liangzhao Huang, Robin E. Schaublin, Jorg F. Loffler, Anna Fraczkiewicz, Maylise Nastar, Frederic Prima, Marie Loyer-Prost
Summary: Micro-alloying significantly affects the incubation period of void swelling in face-centered cubic materials. The mechanism relating to the formation of dislocation loops is still unclear. This study uses pure Ni, Ni-0.4wt.%Cr, and Ni-0.4/0.8/1.2wt.%Ti as model materials to investigate the solute effects on loop evolution during early-stage irradiation. Experimental techniques including in-situ transmission electron microscopy and ex-situ irradiation are employed to study the characteristics of dislocation loops. The results show that a small amount of Ti increases loop density, while reducing loop mobility and stacking fault energy. It also stabilizes self-interstitial loops depending on Ti content and temperature.
Article
Chemistry, Multidisciplinary
William A. Lackington, Romy Wiestner, Elena Pradervand, Peter Schweizer, Flavia Zuber, Qun Ren, Mihai Stoica, Joerg F. Loeffler, Markus Rottmar
Summary: This study examines the influence of surface chemistry of palladium (Pd), platinum (Pt), and titanium (Ti)-based bulk metallic glasses (BMGs) on their response to biological systems. The chemical composition of BMGs significantly affects their physical and chemical properties, with Pd-based BMGs showing exceptional glass-forming ability and all BMGs having a lower Young's modulus than Ti-6Al-4V (Ti64). The surface chemistry of BMGs remains stable and supports blood biocompatibility, and they outperform Ti64 in promoting mineralization of human bone progenitor cells and exerting antimicrobial properties against Staphylococcus aureus, indicating their potential as biomaterials for musculoskeletal applications.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Review
Chemistry, Physical
R. K. Singh Raman, Cuie Wen, Joerg F. Loeffler
Summary: Magnesium, zinc, or iron alloys without toxic elements are attractive as construction materials for biodegradable implants. The synergistic effects of mechanical stress and corrosive human body fluid can lead to sudden and catastrophic fractures of bioimplants, such as stress corrosion cracking and corrosion fatigue. However, there has been limited investigation into SCC and CF of zinc-based implants. This article provides an overview of the challenges, research needs, and future directions in understanding SCC and CF of zinc alloys in human body fluid.
Article
Nanoscience & Nanotechnology
Alexander Firlus, Mihai Stoica, Gavin B. M. Vaughan, Robin E. Schaeublin, Joerg F. Loeffler
Summary: Fe-based bulk metallic glasses exhibit an anomalously low coefficient of thermal expansion known as the Invar effect. This effect is influenced by rare earth elements but the extent of influence from other elements is unclear.
MATERIALS TODAY NANO
(2023)
Article
Chemistry, Multidisciplinary
Sandy Sanchez, Stefania Cacovich, Guillaume Vidon, Jean-Francois Guillemoles, Felix Eickemeyer, Shaik M. Zakeeruddin, Jurgen E. K. Schawe, Jorg F. Loffler, Cyril Cayron, Pascal Schouwink, Michael Graetzel
Summary: We employed flash infrared annealing to investigate the phase transition of formamidinium lead triiodide thin films for solar cell applications. By optimizing the film crystallization processing parameters, we achieved highly stable black perovskite solar cells with a high power conversion efficiency.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
