Assessing thin films as predictors of bulk properties in high-throughput alloy design
Not Available
Engineering topics
Publications and source records attributed to Lee, Chanho.
Not Available
In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission & fusion reactors, space applications, etc.), design, prediction and control of advanced materials beyond current material designs become paramount. Here, through a combined experimental and simulation methodology, we design a nanocrystalline refractory high entropy alloy (RHEA) system. Compositions assessed under extreme environments and in situ electron-microscopy reveal both high thermal stability and radiation resistance. We observe grain refinement under heavy ion irradiation and resistance to dual-beam irradiation and helium implantation in the form of low defect generation and evolution, as well as no detectable grain growth. The experimental and modeling results—showing a good agreement—can be applied to design and rapidly assess other alloys subjected to extreme environmental conditions.
Short-range order (SRO) in multicomponent concentrated alloys affects their mechanical response. Hence, is paramount to understand how composition modifies the chemical ordering in the system to design materials with optimal properties. Here, in this work, we present a methodology to predict the SRO and thermodynamic properties in chemically complex systems and apply it to the WTaCrVHf quinary alloy. We observe that the addition of Hf significantly modifies the SRO, mainly at intermediate to low temperatures, matching experimental observations.
Metallic high-entropy materials (HEMs), also known as high-entropy alloys (HEAs), are an exotic class of materials that possess desirable properties, such as exceptional strength and ductility, high wear resistance, and corrosion resistance. Due to these positive attributes, HEAs have been proposed for use in the automotive and aerospace industries, nuclear reactor technology, and the biomedical field. In terms of composition, HEAs contain five or more elements in amounts ranging from 5 to 35 atomic percent (at.%) each, resulting in a vast compositional space that is still mainly unexplored to this day. More recently, the field of HEMs has broadened to include materials such as polymers and ceramics.
Not Available
High-entropy alloys (HEAs) are materials which leverage the entropy of mixing to motivate the formation of single-phase solid solutions, even of immiscible elements. While these materials are well-recognized for their application to structural engineering, there is increasing interest in the use of HEAs for functional applications such as memory storage and energy devices. The current work investigates the HEA Al 1.3 CoCrCuFeNi, which has been previously shown to be single-phase at high temperatures, but undergoes phase separation at lower temperatures, transforming the structural and the functional properties. This phase separation is investigated at high temperatures with in-situ small angle neutron scattering (SANS) and scanning transmission electron microscopy (EDS). These techniques show that increasing the temperature up to 800°C, the microstructure of the HEA adiabatically disorders and abruptly homogenizes near 700°C, which is consistent with spinodal decomposition. Overall, the microstructural evolution proceeds mainly by the atomistic redistribution of the constituent elements within simple crystal lattices, producing coherent phase mixtures.
Here, we report a potential biomedical material, NbTaTiVZr, and the impact of surface roughness on the osteoblast culture and later behavior based on in vitro tests of preosteoblasts. Cell activities such as adhesion, viability, and typical protein activity on NbTaTiVZr showed comparable results with that of commercially pure Ti (CP-Ti). In addition, NbTaTiVZr with a smooth surface exhibits better cell adhesion, viability, and typical protein activity which shows that surface modification can improve the biocompatibility of NbTaTiVZr. This supports the biological evidence and shows that NbTaTiVZr can potentially be evaluated as a biomedical material for clinical use.
We report the room-temperature (RT) deformation behavior for two single-phase body-centered-cubic (BCC) refractory high-entropy alloys (RHEAs), NbTaTiV and NbTaTiVZr, has been comprehensively investigated via in-situ neutron-diffraction experiments. Our work shows that the addition of Zr leads to the transition of mechanical response from ductile to brittle behavior. The results of lattice-strain evolutions obtained from in-situ neutron diffraction for the ductile NbTaTiV RHEA exhibit atypical plastic-deformation behavior, i.e., the reduced plasticanisotropic deformation, leading to an even distribution of the applied stress amongst the grains with different orientations rather than forming stress concentrations in {200}-oriented grains during plastic-deformation. Density functional theory (DFT) analysis shows that NbTaTiVZr has a lower electron density at the Fermi level, larger lattice distortion, and stronger charge transfer, as compared to NbTaTiV, suggesting higher strength and lower ductility in NbTaTiVZr, which are consistent with the current experimental results.
Energy efficiency is motivating the search for new high-temperature (high-T) metals. Some new body-centered-cubic (BCC) random multicomponent “high-entropy alloys (HEAs)” based on refractory elements (Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr) possess exceptional strengths at high temperatures but the physical origins of this outstanding behavior are not known. Here we show, using integrated in-situ neutron-diffraction (ND), high-resolution transmission electron microscopy (HRTEM), and recent theory, that the high strength and strength retention of a NbTaTiV alloy and a high-strength/low-density CrMoNbV alloy are attributable to edge dislocations. This finding is surprising because plastic flows in BCC elemental metals and dilute alloys are generally controlled by screw dislocations. We use the insight and theory to perform a computationally-guided search over 10 7 BCC HEAs and identify over 10 6 possible ultra-strong high-T alloy compositions for future exploration.
Coherent precipitates hardening is currently emerging strengthening mechanism of the various high entropy alloys (HEAs). Recently, CrMnFeCoNiAl x HEAs have been studied to show a phase transition from face-centered-cubic (FCC) to body-centered-cubic (BCC) and formation of coherent precipitates (B2-NiAl) within the BCC matrix. The coherent precipitates in the CrMnFeCoNiAl x alloys could contribute to increase the strength but lead to considerable reduction of the ductility. The present work systematically investigated a series of CrMnFeCoNiAl 0.5 Ti x alloys to further improve the strength and plasticity, as compared to the previously reported CrMnFeCoNiAl x HEAs. As a result, an increase of Ti addition leads to the phase transition from FCC to BCC and formation of lamellar structure and hierarchical precipitates reinforced by B2-NiAl and L2 1 -Ni 2 TiAl phases. Excellent mechanical properties were achieved from CrMnFeCoNiAl 0.5 Ti 0.1 and CrMnFeCoNiAl 0.5 Ti 0.2 alloys. Herein, the mechanical properties of the CrMnFeCoNiAl 0.5 Ti x alloys were discussed via theoretical strengthening mechanisms.
Refractory high-entropy alloys (RHEAs) show a great potential as structural materials due to their remarkable properties, such as high strength and thermal stability. Despite these advantages, the RHEAs still suffer from the limited ductility at room temperature. To overcome the strength-ductility trade-off, the new RHEA design strategy, transformation-induced plasticity (TRIP) HEAs, have been developed by applying metastability-engineering approach. With the newly developed RHEAs design strategy, we designed metastable RHEAs, TiZrHfVxNbxTax (x = 1.0, 0.5 and 0.1) with decrease of the β-stabilizing elements (V, Nb, and Ta) to promote the transformation-induced ductility and work-hardening capability. The proper addition of the β-stabilizing elements (V, Nb, and Ta) into the ternary equi-molar TiZrHf alloy (TiZrHfV 0.1 Nb 0.1 Ta 0.1 ) leads to stress/strain-induced phase transformation from the body-centered cubic (BCC) to hexagonal-close-packed (HCP) α' and/or orthorhombic α" phases. Here, detailed studies on the phase transformation sequence during the deformation were carried out using X-ray diffraction (XRD), electron back-scattered diffraction (EBSD), and transmission-electron microscope (TEM), which revealed the stepwise phase transformation that is responsible for the strong strain hardening behavior. Furthermore, we further suggested the new transformation-induced-plasticity (TRIP) HEA design strategy, applying the Bo-Md approach.
The US code of Federal Regulations mandates regular inspection of centrifugally cast austenitic stainless steel pipe, commonly used in primary cooling loops in light-water nuclear power plants. These pipes typically have a wall thickness of ~8 cm. Unfortunately, inspection using conventional ultrasonic techniques is not reliable as the microstructure strongly attenuates ultrasonic waves. Work is ongoing to simulate the behavior of acoustic waves in this microstructure and ultimately develop an acoustic inspection method for reactor inspections. In order to account for elastic anisotropy in the material, the texture in the steel was measured as a function of radial distance though the pipe wall. Experiments were conducted on two 10 × 12.7 × 80 mm radial sections of a cast pipe using neutron diffraction scans of 2 mm slices using the HIPPO time-of-flight neutron diffractometer at the Los Alamos Neutron Science Center (LANSCE, Los Alamos, NM, USA). Strong textures dominated by a small number of austenite grains with their (100) direction aligned in the radial direction of the pipe were observed. ODF analysis indicated that up to 70% of the probed volume was occupied by just three single-grain orientations, consistent with grain sizes of almost 1 cm. Texture and phase fraction of both ferrite and austenite phases were measured along the length of the samples. These results will inform the development of a more robust diagnostic tool for regular inspection of this material.
Single-phase solid-solution refractory high-entropy alloys (RHEAs) have been receiving significant attention due to their excellent mechanical properties and phase stability at elevated temperatures. Recently, many studies have been reported regarding the precipitation-enhanced alloy design strategy to further improve the mechanical properties of RHEAs at elevated temperatures. In this study, we attempted to develop precipitation-hardened light-weight RHEAs via addition of Ni or Co into Al 0.8 NbTiV HEA. The added elements were selected due to their smaller atomic radius and larger mixing enthalpy, which is known to stimulate the formation of precipitates. The addition of the Ni or Co leads to the formation of the sigma precipitates with homogeneous distribution. The formation and homogeneous distribution of sigma particles plays a critical role in improvement of yield strength. Furthermore, the Al 0.8 NbTiVM 0.2 (M = Co, Ni) HEAs show excellent specific yield strength compared to single-phase AlNbTiV and NbTiVZr RHEA alloys and conventional Ni-based superalloy (Inconel 718) at elevated temperatures.
Bulk-metallic glasses (BMGs) and high-entropy alloys (HEAs) have attracted extensive attention in the field of metallic materials research for several decades due to their extraordinary properties. Many scientists and researchers have significantly contributed to developing new classes of metallic alloys, such as BMGs and HEAs, for various applications. Liaw’s group and his colleagues have focused on the fundamental understanding of unique features, structures, and properties in BMGs and HEAs as well as the development of new types of metallic materials. Here, we summarized the research work of Liaw’s group and his colleagues by reviewing relevant papers. The goal is to provide an understanding of the current research progression in BMGs and HEAs while further encouraging young and junior researchers to be involved in the field of structural materials research pertaining to these classes of exotic alloy systems.
Severe distortion is one of the four core effects in single-phase high-entropy alloys (HEAs) and contributes significantly to the yield strength. However, the connection between the atomic-scale lattice distortion and macro-scale mechanical properties through experimental verification has yet to be fully achieved, owing to two critical challenges: 1) the difficulty in the development of homogeneous single-phase solid-solution HEAs and 2) the ambiguity in describing the lattice distortion and related measurements and calculations. Here, a single-phase body-centered-cubic (BCC) refractory HEA, NbTaTiVZr, using thermodynamic modeling coupled with experimental verifications, is developed. Compared to the previously developed single-phase NbTaTiV HEA, the NbTaTiVZr HEA shows a higher yield strength and comparable plasticity. The increase in yield strength is systematically and quantitatively studied in terms of lattice distortion using a theoretical model, first-principles calculations, synchrotron X-ray/neutron diffraction, atom-probe tomography, and scanning transmission electron microscopy techniques. These results demonstrate that severe lattice distortion is a core factor for developing high strengths in refractory HEAs.
The present work discovers the unique deformation behavior of a refractory high-entropy alloy at elevated temperatures.
High-entropy alloys (HEAs) are a novel class of alloys that have many desirable properties. The serrated flow that occurs in high-entropy alloys during mechanical deformation is an important phenomenon since it can lead to significant changes in the microstructure of the alloy. In this article, we review the recent findings on the serration behavior in a variety of high-entropy alloys. Relationships among the serrated flow behavior, composition, microstructure, and testing condition are explored. Importantly, the mechanical-testing type (compression/tension), testing temperature, applied strain rate, and serration type for certain high-entropy alloys are summarized. The literature reveals that the serrated flow can be affected by experimental conditions such as the strain rate and test temperature. Furthermore, this type of phenomenon has been successfully modeled and analyzed, using several different types of analytical methods, including the mean-field theory formalism and the complexity-analysis technique. Importantly, the results of the analyses show that the serrated flow in HEAs consists of complex dynamical behavior. It is anticipated that this review will provide some useful and clarifying information regarding the serrated-flow mechanisms in this material system. Finally, suggestions for future research directions in this field are proposed, such as the effects of irradiation, additives (such as C and Al), the presence of nanoparticles, and twinning on the serrated flow behavior in HEAs.
Wire + arc additive manufacturing (WAAM) is considered an innovative technology that can change the manufacturing landscape in the near future. WAAM offers the benefits of inexpensive initial system setup and a high deposition rate for fabricating medium- and large-sized parts such as die-casting tools. Here, AISI H13 tool steel, a popular die-casting tool metal, is manufactured by cold metal transfer (CMT)-based WAAM and is then comprehensively analyzed for its microstructural and mechanical properties. Location-dependent phase combinations are observed, which could be explained by nonequilibrium thermal cycles that resulted from the layer-by-layer stacking mechanism used in WAAM. In addition, remelting and reheating of the layers reduces welding anomalies (e.g., pores and voids). The metallurgical characteristics of the H13 strongly correlate with the mechanical properties. The combinations of phases at different locations of the additively manufactured part exhibit a periodic microhardness profile. Martensite, Retained Austenite, Ferrite, and Carbide phases are found in combination at different locations of the part based on the part’s temperature distribution during additive deposition. Moreover, the tensile properties at elevated temperatures (23 °C, 300 °C, and 600 °C) are comparable to those from other WAAM and additive manufacturing (AM) processes. The X-ray diffraction results verify that the microstructural stability of the fabricated parts at high temperatures would allow them to be used in high temperatures.