Comparison of the Thermal Stability in Equal-Channel-Angular-Pressed and High-Pressure-Torsion-Processed Fe–21Cr–5Al Alloy

Nanostructured Steels Are Expected to Have Enhanced Irradiation Tolerance and Improved Strength. However, They Suffer from Poor Microstructural Stability at Elevated Temperatures. in This Study, Fe–21Cr–5Al–0.026C (Wt%) Kanthal D (KD) Alloy Belonging to a Class of (FeCrAl) Alloys Considered for Accident-Tolerant Fuel Cladding in Light-Water Reactors is Nanostructured using Two Severe Plastic Deformation Techniques of Equal-Channel Angular Pressing (ECAP) and High-Pressure Torsion (HPT), and their Thermal Stability between 500–700 °C is Studied and Compared. ECAP KD is Found to Be Thermally Stable Up to 500 °C, Whereas HPT KD is Unstable at 500 °C. Microstructural Characterization Reveals that ECAP KD Undergoes Recovery at 550 °C and Recrystallization above 600 °C, While HPT KD Shows Continuous Grain Growth after Annealing above 500 °C. Enhanced Thermal Stability of ECAP KD is from Significant Fraction (\u3e50%) of Low-Angle Grain Boundaries (GBs) (Misorientation Angle 2–15°) Stabilizing the Microstructure Due to their Low Mobility. Small Grain Sizes, a High Fraction (\u3e80%) of High-Angle GBs (Misorientation Angle \u3e15°) and Accordingly a Large Amount of Stored GB Energy, serve as the Driving Force for HPT KD to Undergo Grain Growth Instead of Recrystallization Driven by Excess Stored Strain Energy

Strength can be controlled by edge dislocations in refractory high-entropy alloys

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

Phase Separation in Lean-Grade Duplex Stainless Steel 2101

The use of duplex stainless steels (DSS) in nuclear power generation systems is limited by thermal instability that leads to embrittlement in the temperature range of 204°C to 538°C. New lean-grade alloys, such as 2101, offer the potential to mitigate these effects. Thermal embrittlement was quantified through impact toughness and hardness testing on samples of alloy 2101 after aging at 427°C for various durations (1–10,000 h). Additionally, atom probe tomography (APT) was utilized in order to observe the kinetics of α–α′ separation and G-phase formation. Mechanical testing and APT data for two other DSS alloys, 2003 and 2205, were used as a reference to 2101. The results show that alloy 2101 exhibits superior performance compared to the standard-grade DSS alloy 2205 but inferior to the lean-grade alloy 2003 in mechanical testing. APT data demonstrate that the degree of α–α′ separation found in alloy 2101 closely resembles that of 2205 and greatly exceeds 2003. Additionally, contrary to what was observed in 2003, 2101 demonstrated G-phase like precipitates after long aging times, although precipitates were not as abundant as was observed in 2205

Enhancement of Radiative Efficiency with Staggered InGaN Quantum Well Light Emitting Diodes

The technology on the large overlap InGaN QWs developed in this program is currently implemented in commercial technology in enhancing the internal quantum efficiency in major LED industry in US and Asia. The scientific finding from this work supported by the DOE enabled the implementation of this step-like staggered quantum well in the commercial LEDs

High-throughput design of high-performance lightweight high-entropy alloys

Developing affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept

In-situ TEM analysis of the phase transformation mechanism of a Cu–Al–Ni shape memory alloy

Minimizing phase transformation (PT) hysteresis is of crucial importance for reliability of shape memory alloy (SMA)-based devices, where the lattice strain/stress caused by thermal hysteresis leads to functional degradation. As a result, understanding structural factors that control PT pathway is critical for development of materials with high reversibility. In this study, two distinct PT mechanisms (from gamma\u27(1) martensite to beta(1) austenite phase) in Cu–Al–Ni SMAs were revealed by in-situ TEM observation. A growth-dominant conventional PT mechanism shows in the fast quench sample, whereas a nucleation-dominant PT mechanism that suppresses interface propagation and induces high thermal hysteresis displays in the slow quench sample. By characterizing the atomic scale composition and microstructure we discover that slow quenching induces nanoprecipitation that changes chemistry of the matrix alloy, which in turn causes the higher PT hysteresis and temperature, while fast quenching avoids the formation of these nanoprecipitates. Our finding provides valuable insights into the fabrication of SMAs with better reliability

Detecting Cage Crossing and Filling Clusters of Magnesium and Carbon Atoms in Zeolite SSZ-13 with Atom Probe Tomography

The conversion of methanol to valuable hydrocarbon molecules is of great commercial interest, as the process serves as a sustainable alternative for the production of, for instance, the base chemicals for plastics. The reaction is catalyzed by zeolite materials. By the introduction of magnesium as a cationic metal, the properties of the zeolite, and thereby the catalytic performance, are changed. With atom probe tomography (APT), nanoscale relations within zeolite materials can be revealed: i.e., crucial information for a fundamental mechanistic understanding. We show that magnesium forms clusters within the cages of zeolite SSZ-13, while the framework elements are homogeneously distributed. These clusters of just a few nanometers were analyzed and visualized in 3-D. Magnesium atoms seem to initially be directed to the aluminum sites, after which they aggregate and fill one or two cages in the zeolite SSZ-13 structure. The presence of magnesium in zeolite SSZ-13 increases the lifetime as well as the propylene selectivity. By using operando UV-vis spectroscopy and X-ray diffraction techniques, we are able to show that these findings are related to the suppression of aromatic intermediate products, while maintaining the formation of polyaromatic compounds. Further nanoscale analysis of the spent catalysts showed indications of magnesium redistribution after catalysis. Unlike zeolite H-SSZ-13, for which only a homogeneous distribution of carbon was found, carbon can be either homogeneously or heterogeneously distributed within zeolite Mg-SSZ-13 crystals as the magnesium decreases the coking rate. Carbon clusters were isolated, visualized, and analyzed and were assumed to be polyaromatic compounds. Small one-cage-filling polyaromatic compounds were identified; furthermore, large-cage-crossing aromatic molecules were found by isolating large coke clusters, demonstrating the unique coking mechanism in zeolite SSZ-13. Short-length-scale evidence for the formation of polyaromatic compounds at acid sites is discovered, as clear nanoscale relations between aluminum and carbon atoms exist

Elucidating the Structure and Composition of Individual Bimetallic Nanoparticles in Supported Catalysts by Atom Probe Tomography

Understanding and controlling the structure and composition of nanoparticles in supported metal catalysts are crucial to improve chemical processes. For this, atom probe tomography (APT) is a unique tool, as it allows for spatially resolved three-dimensional chemical imaging of materials with sub-nanometer resolution. However, thus far APT has not been applied for mesoporous oxide-supported metal catalyst materials, due to the size and number of pores resulting in sample fracture during experiments. To overcome these issues, we developed a high-pressure resin impregnation strategy and showcased the applicability to high-porous supported Pd-Ni-based catalyst materials, which are active in CO2 hydrogenation. Within the reconstructed volume of 3 × 105 nm3, we identified over 400 Pd-Ni clusters, with compositions ranging from 0 to 16 atom % Pd and a size distribution of 2.6 ± 1.6 nm. These results illustrate that APT is capable of quantitatively assessing the size, composition, and metal distribution for a large number of nanoparticles at the sub-nm scale in industrial catalysts. Furthermore, we showcase that metal segregation occurred predominately between nanoparticles, shedding light on the mechanism of metal segregation. We envision that the presented methodology expands the capabilities of APT to investigate porous functional nanomaterials, including but not limited to solid catalysts