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At least 973 records · Page 54

Ordering-mediated local nano-clustering results in unusually large Hall-Petch strengthening coefficients in high entropy alloys

This paper reports a dramatic increase in the grain boundary strengthening or Hall-Petch coefficient, K, by systematically investigating the effect of Al addition on tensile yield strength in CoFeNi and CoCrFeNi high entropy alloys (HEAs) or complex concentrated alloys (CCAs). Additionally, detailed atom probe tomography (APT) revealed a high number density of Ni-Al rich nano-clusters in the Al 0.3 CoFeNi and Al 0.3 CoCrFeNi HEAs/CCAs, which can be rationalized based on the strong chemical ordering tendency between these elements. Consequently, the huge increase in K value can be attributed to the additional stress required for overcoming coherency strain fields arising from these nano-clusters.

36 MATERIALS SCIENCE↗

6.26 Low Cost Basalt Fiber for Automotive Applications

Vehicle lightweighting is an essential component to the automotive industry to improve fuel economy of internal combustion engine (ICE) vehicles to meet ever improving emission standards and to improve the range of electric vehicles (EV). Composite materials offer high specific modulus and specific strength, which makes them appealing for these light weighting efforts. Sheet molding compounds (SMC) are particularly interesting from an automotive perspective because of the relatively low cost and high volume of producing SMC parts. Traditionally, composite materials for automotive application are glass fiber reinforced because of the attractive price - performance ratio, but basalt fibers are a cost and recycling competitive reinforcement alternative in this market. The aim of this project was to examine the feasibility of utilizing basalt fiber for automotive applications. More specifically, an effort was made to examine different fiber sizings on basalt fiber combined with vinyl-ester (VE) resin, and their performance as part of an SMC process. In addition to offering vehicle lightweighting with fiber reinforced polymer composites, basalt fiber is a fully recyclable material and thus supports the IACMI technical goal of: Demonstrate that the technology is capable at a sufficient scale for >80% recyclability or reuse of fiber reinforced polymer composites in five years into useful components with projected cost and quality at commercial scale competitive with virgin materials on a pathway to 95% recyclability or reuse starting in ten years. Three different fiber sizings were applied to a continuous roving of basalt fiber and compared to a traditional Electrical/Chemical Resistance (E-CR) glass fiber that is typically used in these types of applications. Fiber tows were examined for Loss on Ignition percentage (LOI%), Tex, and tow strength. Some sizings clearly outperformed others, and the ability to process these fibers on a pilot scale SMC line was demonstrated. A test plan for the manufacturing and mechanical testing of SMC panels was developed. This work continues outside the time frame allocated for this project. When this work is completed, it will be added to this report and posted as Appendix C. Glass fiber reinforced SMC materials have already proven feasible as a light weighting method for traditionally steel parts like the Volkswagen (VW) Atlas lift-gate (Figure 1); this project team is seeking the feasibility of basalt fiber as a drop-in replacement for glass fiber reinforced SMC. Sizing development for basalt fibers has proven that the mechanical properties are better than E-glass and closer to S-glass, which makes it an interesting material for SMC applications. Better mechanical properties translate to less material needed to achieve load case requirement for target applications. The business case has already been demonstrated for 100,000 parts per year of glass fiber reinforced SMC Atlas lift-gates compared to traditional steel manufacturing processes. Reduced overhead and assembly costs are offset by glass fiber SMC higher cost per kg beyond 100,000 parts per year, which is still a relatively low volume for the automotive industry. For basalt fiber reinforced SMC to become feasible for automotive applications, the price-performance ratio has to be precisely determined. Based on the mechanical performance it is possible to establish a range of applications and technical solutions in which the potential of basalt SMC can be utilized, while the price of the material can be used to compile the business case for such applications. Based on these business cases and the sustainability indicators, glass fiber reinforcement (or other) materials can be directly substituted. Volkswagen’s commitment to reducing carbon emissions cannot be understated. Basalt fiber shows promise of reducing the carbon footprint in SMC materials, especially if sizing optimizations can be made with thermoplastic based SMC. To fully realize the value of basalt fiber reinforced materials, a lifecycle cost analysis should be performed on basalt’s production and recycling, and then compared against E-glass. From this assessment, a true judgement can be made on the commercialization potential of this material. Figure 1. Example of Fiber Reinforced Polymer Composite Liftgate As a conclusion, we can state that Mafic basalt fiber is not a direct replacement for E-glass or E-CR glass based on price, but should be considered a technical solution when E-glass does not provide adequate performance in a composite design and S-glass, aramid and carbon fibers are too costly. Mafic basalt fiber can be placed on the high-performance fiber spectrum next to S-glass for performance but at one third the price. It should be considered for more technically challenging structural designs wherein the performance can demonstrate 20-25% performance enhancement over E-glass to elicit more strength or a weight reduction. Both Michelman and Mafic produce thermoplastic sizings which, in combination with Nylon and polypropylene resin and fibers, can further advance high speed composite implementations while maintaining an eco-friendly manufacturing process.

36 MATERIALS SCIENCE↗

Impact of biomass ash content on biocomposite properties

Owing to its low cost and sustainable nature, lignocellulosic biomass has been utilized for reinforcing polymers, but it is crucial to understand the impact of high-ash concentrations in biomass on composite strength and processing. Biomass is not only desirable for biofuel production but could also have a strong market, if high-ash biomass is acceptable, for biocomposites. In this work, natural fibers (switchgrass and corn stover) were used to reinforce polylactic acid (PLA) to produce biocomposites. Natural fibers were pretreated to obtain fibers that contain different percentages of ash. The mechanical properties (such as Young's modulus, tensile strength, failure strain, storage modulus) of corn stover/PLA composites remained largely unaffected by the ash concentration of the biomass fibers, despite the large range of ash contents (2.2–11.9 wt%). Furthermore, the tensile strengths of switchgrass/PLA composites were slightly negatively affected by the ash concentration of the switchgrass fibers (0.7–2.1 wt%). Both the switchgrass/PLA and the corn stover/PLA composites exhibited a high-enough tensile strength (49–57 MPa) and suitable complex viscosity (2.0–7.0 kPa·s at the frequency of 3.2 rad/s). They are expected to be 3D-printable through an extrusion-based additive manufacturing process.

36 MATERIALS SCIENCE↗

Two-dimensional coherent spectrum of high-spin models via a quantum computing approach

Here in this work we present and benchmark a quantum computing approach to calculate the two-dimensional coherent spectrum (2DCS) of high-spin models. Our approach is based on simulating their real-time dynamics in the presence of several magnetic field pulses, which are spaced in time. We utilize the adaptive variational quantum dynamics simulation algorithm for the study due to its compact circuits, which enables simulations over sufficiently long times to achieve the required resolution in frequency space. Specifically, we consider an antiferromagnetic quantum spin model that incorporates Dzyaloshinskii-Moriya interactions and single-ion anisotropy. The obtained 2DCS spectra exhibit distinct peaks at multiples of the magnon frequency, arising from transitions between different eigenstates of the unperturbed Hamiltonian. By comparing the one-dimensional coherent spectrum with 2DCS, we demonstrate that 2DCS provides a higher resolution of the energy spectrum. We further investigate how the quantum resources scale with the magnitude of the spin using two different binary encodings of the high-spin operators: the standard binary encoding and the Gray code. At low magnetic fields both encodings require comparable quantum resources, but at larger field strengths the Gray code is advantageous. Numerical simulations for spin models with increasing number of sites indicate a polynomial system-size scaling for quantum resources. Lastly, we compare the numerical 2DCS with experimental results on a rare-earth orthoferrite system. The observed strength of the magnonic high-harmonic generation signals in the 2DCS of the quantum high-spin model aligns well with the experimental data, showing significant improvement over the corresponding mean-field results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-pressure annealing driven nanocrystal formation in Zr 50 Cu 40 Al 10 metallic glass and strength increase

Pressure-induced structural changes in metallic glasses have been of great interest as they are expected to open new ways to synthesize novel materials with unexpected properties. Here, we investigated the effect of simultaneous high-pressure and high-temperature treatment on the structure and properties of a Zr 50 Cu 40 Al 10 metallic glass by in situ X-ray structure measurement and property analysis of the final material. We found the unusual formation of Cu-rich nanocrystals at high pressure and temperature, accompanied by significant strength and hardness enhancement. Based on reverse Monte Carlo modeling and molecular dynamics simulations, the structure of the metallic glass changed to a densely packed, chemically uniform configuration with high short-range and medium-range ordering at high pressure and temperature. These results show that high-pressure annealing processes provide a new way to improve and control properties without changing their composition.

36 MATERIALS SCIENCE↗

Mechanically-, Thermally, and Chemically-Robust High-Temperature Ceramic Composites

In an effort to lower the levelized cost of electricity generated by Concentrated Solar Power (CSP) plants, the heat-to-electricity conversion efficiency may be increased by operating such plants with higher turbine inlet temperatures using closed Brayton cycles with high-pressure, supercritical carbon dioxide (sCO 2 ) as the working fluid. For example, if the turbine inlet temperature is raised to ≥750°C, in combination with sCO2 closed Brayton cycles, the relative heat-to-electricity efficiency may be raised by more than 20% (compared to subcritical steam Rankine cycles operating with turbine inlet temperatures ≤550°C). The associated reduction in the cost of dispatchable electricity from such CSP plants (utilizing high-temperature thermal energy storage) would be an important breakthrough on the path towards direct competition with fossil-fuel-based plants. A key barrier to achieve such high-temperature efficient operation has been the limited thermomechanical performance of metal alloys used in compact, primary printed circuit- type heat exchangers (PCHEXs) for heat transfer to high-pressure sCO 2 . The maximum allowed stresses for the use of conventional stainless steels and nickel-based superalloys at high sCO 2 pressures (≥20 MPa) decline rapidly at temperatures ≥550°C. This project has been focused on demonstrating the desired high-temperature properties and attractive manufacturing characteristics of mechanically-, thermally-, and chemically-robust ceramic/metal composites (cermets), in order to allow for the use of such composites in primary PCHEXs for heat transfer to sCO 2 at ≥750°C and ≥20 MPa in CSP plants. Prior work with high-temperature, co-continuous carbide/refractory metal cermets, such as ZrC/W composites, has already demonstrated: i) the attractive combination of high-temperature properties exhibited by such materials (e.g., high values of stiffness, failure strength, and thermal conductivity at 800°C), and ii) cost-effective processes for manufacturing PCHEX plates comprised of such cermets with tailorable channel patterns. However, ZrC/W cermets were not found to be inherently corrosion resistant in sCO 2 at 750°C and 20 MPa. While the application of a Cu coating to ZrC/W surfaces, along with a modest addition (50 ppm) of CO to CO 2 , rendered such composites resistant to corrosion for 1000 h in such sCO 2 -based fluids at 750°C, such additional steps would increase the design complexity of such cermet-based components. An alternative approach (the focus of this project) is to develop mechanically-robust, cost- effective cermets that are inherently resistant to high-temperature oxidation in air and CO 2 . The overall goals of this project have been to demonstrate: i) the oxidation resistance of at least one cermet at 750°C in air and in CO 2 (i.e., with a projected annual corrosion ≤30 μm), ii) the mechanically robust nature of at least one cermet at 750°C (i.e., with an average failure strength ≥200 MPa), and iii) that the selected cermet can be manufactured via low-cost forming techniques.

14 SOLAR ENERGY↗

Friction stir processing: A thermomechanical processing tool for high pressure die cast Al-alloys for vehicle light-weighting

This study uses friction stir processing (FSP) for thermomechanical processing of high-pressure die-casting (HPDC) to modify microstructure and improve mechanical properties. FSP is carried out on two different HPDC aluminum alloys: (a) general-purpose, high-iron, HPDC A380 alloy and (b) premium quality, low-iron HPDC Aural-5 alloy in thin wall, flat plate geometry. Subsequent mechanical testing shows ~30 % and ~65 % enhancement in yield strength and tensile ductility. In addition, FSP leads to ~10 times improvement in fatigue life for A380 alloy and ~70 % improvement in fracture toughness for Aural-5 alloy. These findings emphasize the capability of FSP to modify the microstructure of HPDC Al-alloys-based structural components so that they can demonstrate a good combination of strength, ductility, fracture toughness, and high fatigue properties for long-term durability and reliability.

36 MATERIALS SCIENCE↗

Testing AGN outflow and accretion models with C IV and He II emission line demographics in z ≈ 2 quasars

Using ≈190 000 spectra from the 17th data release of the Sloan Digital Sky Survey (SDSS), we investigate the ultraviolet emission line properties in z ≈ 2 quasars. Specifically, we quantify how the shape of C IV λ1549 and the equivalent width (EW) of He II λ1640 depend on the black hole mass and Eddington ratio inferred from Mg II λ2800. Above L/L Edd ≳ 0.2, there is a strong mass dependence in both C IV blueshift and He II EW. Large C IV blueshifts are observed only in regions with both high mass and high accretion rate. Including X-ray measurements for a subsample of 5000 objects, we interpret our observations in the context of AGN accretion and outflow mechanisms. The observed trends in He II and 2 keV strength are broadly consistent with theoretical qsosed models of AGN spectral energy distributions (SEDs) for low spin black holes, where the ionizing SED depends on the accretion disc temperature and the strength of the soft excess. High spin models are not consistent with observations, suggesting SDSS quasars at z ≈ 2 may in general have low spins. We find a dramatic switch in behaviour at L/L Edd ≲ 0.1: the ultraviolet emission properties show much weaker trends, and no longer agree with qsosed predictions, hinting at changes in the structure of the broad line region. Overall, the observed emission line trends are generally consistent with predictions for radiation line driving where quasar outflows are governed by the SED, which itself results from the accretion flow and hence depends on both the SMBH mass and accretion rate.

79 ASTRONOMY AND ASTROPHYSICS↗

Fracture characteristics and heat treatment of laser powder bed fusion additively manufactured GRCop-84 copper

Laser Powder Bed Fusion (LPBF) of Glenn Research Copper 84 (GRCop-84), a Cr 2 Nb (8 at. % Cr, 4 at. % Nb) precipitation hardened alloy, produces a fully dense high conductivity alloy with a yield strength of 500 MPa and ultimate tensile strength (UTS) of 740 MPa, superior to other competing copper alloys, and 20% elongation at fracture for material stressed perpendicular to the build direction. The high thermal stability of the Cr 2 Nb precipitate in the copper matrix reduces coarsening and maintains a 300 MPa yield, 520 MPa UTS and 26% elongation after a 900 °C, 5-h heat treatment, while a 3 h 450 °C heat treatment increases yield to 810 MPa, UTS to 970 MPa with 9% elongation at fracture, for samples stressed perpendicular to the build direction. Tensile strength anisotropy based on print direction was attributed to internal stress and columnar grain formation. Void nucleation during tensile fracture was initiated by brittle fracture of precipitate particles within the copper matrix. Fracture cusps contain matching precipitate fragment geometry on opposing sides located near the cusp center in at least 80% of fracture cusps. An optimal precipitate size of 100 nm is predicted for maximum tensile strength from precipitates on fracture surfaces, while tensile testing with varying heat treatments shows maximum strength with 100 nm and smaller precipitates. Cr2Nb precipitates are shown to transition between polycrystalline and monocrystalline structures at high temperature.

36 MATERIALS SCIENCE↗

Deformation behavior of a Co-Cr-Fe-Ni-Mo medium-entropy alloy at extremely low temperatures

In this work, we report the mechanical and microstructural characteristics of a medium-entropy alloy, Co 17.5 Cr 12.5 Fe 55 Ni 10 Mo 5 (atomic percent, at%) at cryogenic temperatures, down to a record low temperature of 0.5 K. The alloy exhibits excellent strength and ductility combined with a high strain-hardening rate in the entire temperature range investigated. Its property profile, including the yield strength, ultimate tensile strength, strain hardening capability, and absorbed mechanical energy, is better than those of most alloys and HEAs used in cryogenics. Within the interval of extremely low temperatures considered (0.5–4.2 K), the alloy exhibits several unusual features, including anomalies of the temperature dependence of the yield strength and tensile ductility, discontinuous plastic deformation (DPF), and a change in the propensity for the deformation-induced martensitic transformation. While the occurrence of these effects in the same temperature interval may be fortuitous, we hypothesize that they are interrelated and provide a tentative explanation of the observed phenomena on this basis.

36 MATERIALS SCIENCE↗

Surface processing and discharge-conditioning of high voltage electrodes for the Ra EDM experiment

The Ra EDM experiment uses a pair of high voltage electrodes to search for the atomic electric dipole moment of 225 Ra. We use identical, plane–parallel electrodes with a primary high gradient surface of 200 mm 2 to generate reversible DC electric fields. Our statistical sensitivity is linearly proportional to the electric field strength in the electrode gap. We adapted surface decontamination and processing techniques from accelerator physics literature to chemical polish and clean a suite of newly fabricated large-grain niobium and grade-2 titanium electrodes. Three pairs of niobium electrodes and one pair of titanium electrodes were discharge-conditioned with a custom high voltage test station at electric field strengths as high as +52.5 kV/mm and –51.5 kV/mm over electrode gap sizes ranging from 0.4 mm to 2.5 mm. One pair of large-grain niobium electrodes was discharge-conditioned and validated to operate at ±20 kV/mm with steady-state leakage current ≤ 25 pA (1σ) and a polarity-averaged 98 ± 19 discharges per hour. These electrodes were installed in the Ra EDM experimental apparatus, replacing a copper electrode pair, and were revalidated to ±20 kV/mm. Here, the niobium electrodes perform at an electric field strength 3.1 times larger than the legacy copper electrodes and are ultimately limited by the maximum output of our 30 kV bipolar power supply.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Capillary flow in UHPFRC with synthetic fibers, under high tensile stresses

A novel Ultra High-Performance Fiber Reinforced Concrete (UHPFRC) mix with synthetic fibers and a low clinker matrix, henceforth referred to as PE-UHPFRC, has been developed for structural applications. It exhibits a high tensile elastic limit above 7 MPa, a tensile strength of more than 10 MPa, and a very high tensile hardening domain of above 3.5%. In order to effectively use this material, its protective properties have been investigated on the basis of the effect of tensile deformation and subsequent cracking on water transport properties, for a wide range of tensile strain. A special setup was developed to measure the capillary absorption of liquids while the specimen is under tension. The results show a considerable reduction in capillary absorption in case of PE-UHPFRC compared with Strain Hardening Cement-based Composites (SHCC). Moreover, the results highlight the considerable effect of the onset of cracking on capillary absorption.

36 MATERIALS SCIENCE↗

Flexible all-organic nanocomposite films interlayered with in situ synthesized covalent organic frameworks for electrostatic energy storage

Poly(vinylidene fluoride)-based terpolymers, known for having the largest dielectric constant among the existing dielectric polymers, are attractive materials for electrostatic film capacitors used in lightweight electrification systems. However, the potential of these terpolymers in film capacitor applications remains constrained by their low electrical insulating and mechanical strengths. To address these limitations, we introduced rigid covalent organic framework (COF) nanospheres into the thin films of soft terpolymers via in situ synthesis and a facile layer-by-layer solution casting method, whereby multilayer films consisting of two polymer outer layers and a COF-containing middle layer were readily obtained. The resultant all-organic thin films exhibit simultaneously high dielectric constant, enhanced breakdown strength, superior energy density (~25 J cm –3 ) at efficiencies over 80%, along with greatly improved mechanical self-supporting capability and excellent mechanical flexibility. Here, this work demonstrates the unprecedented use of COF for electrostatic energy storage, uncovering its potential for flexible electronic applications operating under high electric fields.

25 ENERGY STORAGE↗

Renewable Lactam Monomer for Tunable and Processable Polyamides

Replacement of petroleum-derived monomers with renewable alternatives is an integral part of the sustainable polymer framework. Research in this area involves the search for bio-based or recycled starting materials for traditional polymers, as well as investigations into new materials accessible from renewable feedstocks. Focusing on the latter, we studied the properties of polyamides synthesized from γ-methyl-ε-caprolactam through anionic ring-opening polymerization by an activated monomer mechanism. Here, the amorphous homopolymer presents high stiffness (Young’s modulus, ≈3 GPa), strength (stress at break, ≈80 MPa) and toughness under dry (low humidity) conditions, high ductility (strain at break, ≈1100%) in humid environments, optical clarity, and excellent processability due to its non-crystallizable nature and solubility in common organic solvents. Copolymerization with ε-caprolactam allows tailoring the mechanical properties and crystallinity in the resultant copolymers and provides new opportunities for advanced manufacturing and other applications.

36 MATERIALS SCIENCE↗

High-pressure strengthening in ultrafine-grained metals

The Hall–Petch relationship, according to which the strength of a metal increases as the grain size decreases, has been reported to break down at a critical grain size of around 10 to 15 nanometres. As the grain size decreases beyond this point, the dominant mechanism of deformation switches from a dislocation-mediated process to grain boundary sliding, leading to material softening. In one previous approach, stabilization of grain boundaries through relaxation and molybdenum segregation was used to prevent this softening effect in nickel–molybdenum alloys with grain sizes below 10 nanometres. Here we track in situ the yield stress and deformation texturing of pure nickel samples of various average grain sizes using a diamond anvil cell coupled with radial X-ray diffraction. Our high-pressure experiments reveal continuous strengthening in samples with grain sizes from 200 nanometres down to 3 nanometres, with the strengthening enhanced (rather than reduced) at grain sizes smaller than 20 nanometres. Here, we achieve a yield strength of approximately 4.2 gigapascals in our 3-nanometre-grain-size samples, ten times stronger than that of a commercial nickel material. A maximum flow stress of 10.2 gigapascals is obtained in nickel of grain size 3 nanometres for the pressure range studied here. We see similar patterns of compression strengthening in gold and palladium samples down to the smallest grain sizes. Simulations and transmission electron microscopy reveal that the high strength observed in nickel of grain size 3 nanometres is caused by the superposition of strengthening mechanisms: both partial and full dislocation hardening plus suppression of grain boundary plasticity. These insights contribute the ongoing search for ultrastrong metals via materials engineering.

36 MATERIALS SCIENCE↗

Effects of helium cavity size and morphology on the strength of pure titanium

In this study, high-purity α-titanium was implanted with helium to observe cavity morphology – size, number density, and form (i.e., bubbles vs. voids) – effects on materials strength. Increasing implantation temperatures lead to an Arrhenius-type (i.e., exponential) increase in cavity size, a transition from spherical bubbles to faceted voids, and a marked increase in strength (~20–50%). Implanted samples deformed uniformly in contrast to nano-compression of unimplanted or alloyed titanium, but pillars with the largest faceted voids developed a type of bulging localized deformation. Affected voids were repeatedly sheared, becoming rough and shrunken. Dislocation-cavity interactions and the role of helium content within cavities are considered.

36 MATERIALS SCIENCE↗

Meso-scale modelling of compressive fracture in concrete with irregularly shaped aggregates

This paper presents a meso-scale modelling framework to investigate the fracture process in concrete subjected to uniaxial and biaxial compression accounting for its mesostructural characteristics. 3D mesostructure of concrete consisting of coarse aggregates, mortar and interfacial transition zone between them was developed using an in-house code based on the Voronoi tessellation and splining method, which enables to generate the realistic-look aggregates with controllable structural features such as content, location, size and shape. Based on the generated 3D mesostructure, the concrete damage plasticity approach was employed to simulate the compressive fracture behaviour of concrete in terms of crack morphology and stress-strain response against the shape parameters of aggregate. Results indicate that the shape of aggregate has a negligible effect on compressive strength of concrete, which is highly associated with the random location and size distribution of aggregate. The aggregate irregularity has a significant influence on crack initiation and growth of concrete.

36 MATERIALS SCIENCE↗