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- ItemThe impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys(Amsterdam [u.a.] : Elsevier Science, 2024) Andreoli, Angelo F.; Fantin, Andrea; Kasatikov, Sergey; Bacurau, Vinícius P.; Widom, Michael; Gargarella, Piter; Mazzer, Eric M.; Woodcock, Thomas G.; Nielsch, Kornelius; Coury, Francisco G.The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism.
- ItemExperimental and numerical characterization of imperfect additively manufactured lattices based on triply periodic minimal surfaces(Amsterdam [u.a.] : Elsevier Science, 2023) Günther, Fabian; Pilz, Stefan; Hirsch, Franz; Wagner, Markus; Kästner, Markus; Gebert, Annett; Zimmermann, MartinaLattices based on triply periodic minimal surfaces (TPMS) are attracting increasing interest in seminal industries such as bone tissue engineering due to their excellent structure-property relationships. However, the potential can only be exploited if their structural integrity is ensured. This requires a fundamental understanding of the impact of imperfections that arise during additive manufacturing. Therefore, in the present study, the structure-property relationships of eight TPMS lattices, including their imperfections, are investigated experimentally and numerically. In particular, the focus is on biomimetic network TPMS lattices of the type Schoen I-WP and Gyroid, which are fabricated by laser powder bed fusion from the biocompatible alloy Ti-42Nb. The experimental studies include computed tomography measurements and compression tests. The results highlight the importance of process-related imperfections on the mechanical performance of TPMS lattices. In the numerical work, firstly the as-built morphology is artificially reconstructed before finite element analyses are performed. Here, the reconstruction procedure previously developed by the same authors is used and validated on a larger experimental matrix before more advanced calculations are conducted. Specifically, the reconstruction reduces the numerical overestimation of stiffness from up to 341% to a maximum of 26% and that of yield strength from 66% to 12%. Given a high simulation accuracy and flexibility, the presented procedure can become a key factor in the future design process of TPMS lattices.
- ItemLaser powder bed fusion of Fe60(CoCrNiMn)40 medium-entropy alloy with excellent strength-ductility balance(Amsterdam [u.a.] : Elsevier Science, 2024) Yang, Shengze; Liu, Yang; Chen, Hongyu; Wang, Yonggang; Kosiba, KonradIn this study, Fe60(CoCrNiMn)40 medium-entropy alloy (MEA) was fabricated by laser powder bed fusion (LPBF) via mixing of pure Fe and FeCoCrNiMn powders, the processability, microstructure and mechanical properties were systematically investigated, and the mechanism of strengthening and toughening were revealed through combination of experiments and molecular dynamics (MD) simulations. Results show that fraction of BCC phase decreased gradually with increasing volume energy density (VED), and thus heterostructue with varying FCC and BCC phases were produced through regulating the VED. The Fe60(CoCrNiMn)40 MEA (with scanning speeds of 700 and 800 mm/s) showed excellent strength-plasticity balance (e.g. 476 MPa, 612 MPa and 63 %) compared to the equiatomic FeCoCrNiMn HEA, which is ascribed to the synergistic strengthening and toughening effects involving the twinning induced plasticity (TWIP) and the reinforcement caused by the BCC phase (act as reinforced particle) embedded in the FCC matrix.
- ItemConstrained incipient phase transformation in Ni-Mn-Ga films: A small-scale design challenge(Amsterdam [u.a.] : Elsevier Science, 2023) Fareed, Adnan; Rosalie, Julian M.; Kumar, Sourabh; Kar, Satyakam; Hickel, Tilmann; Fähler, Sebastian; Maaß, RobertNi-Mn-Ga shape-memory alloys are promising candidates for large strain actuation and magnetocaloric cooling devices. In view of potential small-scale applications, we probe here nanomechanically the stress-induced austenite–martensite transition in single crystalline austenitic thin films as a function of temperature. In 0.5 µm thin films, a marked incipient phase transformation to martensite is observed during nanoindentation, leaving behind pockets of residual martensite after unloading. These nanomechanical instabilities occur irrespective of deformation rate and temperature, are Weibull distributed, and reveal large spatial variations in transformation stress. In contrast, at a larger film thickness of 2 μm fully reversible transformations occur, and mechanical loading remains entirely smooth. Ab-initio simulations demonstrate how an in-plane constraint can considerably increase the martensitic transformation stress, explaining the thickness-dependent nanomechanical behavior. These findings for a shape-memory Heusler alloy give insights into how reduced dimensions and constraints can lead to unexpectedly large transformation stresses that need to be considered in small-scale actuation design.
- ItemSonication-assisted liquid phase exfoliation of two-dimensional CrTe3 under inert conditions(Amsterdam [u.a.] : Elsevier Science, 2023) Synnatschke, Kevin; Moses Badlyan, Narine; Wrzesińska, Angelika; Lozano Onrubia, Guillermo; Hansen, Anna–Lena; Wolff, Stefan; Tornatzky, Hans; Bensch, Wolfgang; Vaynzof, Yana; Maultzsch, Janina; Backes, ClaudiaLiquid phase exfoliation (LPE) has been used for the successful fabrication of nanosheets from a large number of van der Waals materials. While this allows to study fundamental changes of material properties’ associated with reduced dimensions, it also changes the chemistry of many materials due to a significant increase of the effective surface area, often accompanied with enhanced reactivity and accelerated oxidation. To prevent material decomposition, LPE and processing in inert atmosphere have been developed, which enables the preparation of pristine nanomaterials, and to systematically study compositional changes over time for different storage conditions. Here, we demonstrate the inert exfoliation of the oxidation-sensitive van der Waals crystal, CrTe3. The pristine nanomaterial was purified and size-selected by centrifugation, nanosheet dimensions in the fractions quantified by atomic force microscopy and studied by Raman, X-ray photoelectron spectroscopy (XPS), energy-dispersive X-ray spectroscopy (EDX) and photo spectroscopic measurements. We find a dependence of the relative intensities of the CrTe3 Raman modes on the propagation direction of the incident light, which prevents a correlation of the Raman spectral profile to the nanosheet dimensions. XPS and EDX reveal that the contribution of surface oxides to the spectra is reduced after exfoliation compared to the bulk material. Further, the decomposition mechanism of the nanosheets was studied by time-dependent extinction measurements after water titration experiments to initially dry solvents, which suggest that water plays a significant role in the material decomposition.
- ItemSodium-ion diffusion coefficients in tin phosphide determined with advanced electrochemical techniques(Amsterdam [u.a.] : Elsevier Science, 2023) Wang, Jun; Pameté, Emmanuel; Yan, Shengli; Zhao, Wenhua; Zhang, Jianhui; He, Xiaotong; Supiyeva, Zhazira; Abbas, Qamar; Pan, XuexueSodium ion insertion plays a critical role in developing robust sodium-ion technologies (batteries and hybrid supercapacitors). Diffusion coefficient values of sodium (DNa+) in tin phosphide between 0.1 V and 2.0 V vs. Na/Na+ are systematically determined by galvanostatic intermittent titration technique (GITT), electrochemical impedance spectroscopy (EIS), and potentiostatic intermittent titration technique (PITT). These values range between 4.55 × 10−12 cm2 s−1 and 1.94 × 10−8 cm2 s−1 and depend on the insertion/de-insertion current and the thickness of the electrode materials. Additionally, DNa+ values differ between the first and second cation insertion because of the solid electrolyte interface (SEI) formation. DNa+ vs. insertion potential alters non-linearly in a “W” form due to the strong interactions of Na+ with tin phosphide particles. The results reveal that GITT is a more appropriate electrochemical technique than PITT and EIS for evaluating DNa+ in tin phosphide.