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At least 343 records · Page 19

Statistical fracture behavior of doped UO 2 using a ball-on-ring equibiaxial flexure test method

Metal oxide dopants, such as titanium and chromium oxides, have garnered considerable attention for their potential to increase grain size (≥ 30 µm) in UO 2 fuel, purportedly enhancing fission gas retention during reactor operation. Fuel performance is significantly impacted by fuel fracture behavior, so it is important to understand the effects of enhanced grain size and dopant content on UO 2 fuel fracture. UO 2 pellets were doped with 0.1 wt% TiO 2 and 0.3 wt% Cr 2 O 3 to alter density and grain size. Inductively coupled plasma mass spectroscopy measured dopant levels pre- and post-sintering. X-ray diffraction revealed lattice changes and microstrain via Rietveld refinement. Field emission scanning electron microscopy determined grain sizes of approximately 30 µm for TiO 2 doping and 7 µm for Cr 2 O 3 doping. Transverse rupture strength tests were performed on over 30 samples per dataset to obtain characteristic strength and Weibull modulus. Results indicate no statistical difference in fracture strength between 0.1 wt% TiO 2 doped UO 2 and undoped UO 2 , while 0.3 wt% Cr 2 O 3 doped UO 2 exhibited a 20% decrease in fracture strength. Doped UO 2 samples also showed reduced Weibull modulus compared to undoped UO 2 , suggesting increased scatter in fracture strength. This study's findings suggest that titanium and chromium oxide doping in UO 2 , regardless of grain size, induce residual stresses, decreasing fracture strength and increasing variability in fracture behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A theoretical study of solid solution strengthening in the refractory medium entropy alloy Nb 45 Ta 25 Ti 15 Hf 15

The refractory medium-entropy alloy (RMEA) Nb 45 Ta 25 Ti 15 Hf 15 exhibits exceptional tensile ductility and fracture toughness at ambient temperature, but its engineering applications are limited by a lack of high temperature strength. Using a machine-learning interatomic potential (MLIP) with near-density functional theory (DFT) accuracy, we conducted molecular dynamics (MD) and statics simulations of the behavior of dislocations with both screw and edge characters. We also analyze experimentally measured yield strengths using the Rao-Suzuki model and the Maresca-Curtin model modified to include a temperature-dependent shear modulus and a bulk modulus-dependent misfit volume, thereby uncovering the mechanisms underlying the yielding of this RMEA. Compared with the published experimental yield strength, the models parameterized by the MLIP effectively reproduce the experimental results over a wide temperature range. The models and MD simulations indicate that yielding is governed by screw dislocations, with dipole dragging as the dominant mechanism. In MD simulations, we observed a potential softening mechanism not considered by the Rao-Suzuki screw model: slow migration of interstitial jogs along the dislocation core, which could lead to the annihilation of vacancy and interstitial jog pairs by their combination.

BCC complex concentrated alloys↗

Optimizing processing conditions for additively reinforced thermoforming (ART) in convergent manufacturing

This study utilized additively reinforced thermoforming (ART) to enhance the thermomechanical properties of polyethylene terephthalate glycol (PETG) sheet. ART materials were produced by overprinting PETG/carbon fiber filament (PETG/CF) on neat PETG sheets at varying conditions. The mechanical properties of the PETG sheet, PETG/CF, and ART materials were assessed, showing that ART exhibited superior tensile strength and modulus of elasticity. The tensile strength and modulus in the x-direction for ART at 265°C were 57.32 ± 2.9 MPa and 3.41 ± 0.4 GPa, respectively, compared to 49.1 ± 0.5 MPa and 1.92 ± 0.09 GPa for neat PETG. Microstructural analysis revealed strong interfacial adhesion between layers, while thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and heat deflection temperature analysis provided insights into the ART material's thermoforming behavior, aiding design optimization for enhanced stiffness, reduced necking, and improved customization. In conclusion, this information can be used to design for the thermoforming operation.

Additive reinforcement↗

Effect of fiber sizing and glass fiber laminate hybridization on vibration damping and mechanical properties of banana fiber reinforced polypropylene composites

Modern automotive applications demand lightweight, multifunctional materials to reach mileage goals and natural fiber reinforced composites (NFRCs) are one of the classes of materials proposed as a solution. NFRCs exhibit good vibration damping properties and have low density, but are often limited by processing challenges, poor-fiber matrix compatibility and variable performance. Herein, we investigate non-woven wet-lay of comingled banana fiber (BF), recycled glass fiber (rGF), and polypropylene (PP) fibers to in situ sizing and preparation of composite feedstocks for compression molding. BF and rGF hybrids were prepared by stacking rGF layers during compression molding to produce composites with various fiber ratios. The effect of fiber content, in-situ sizing and ratio of BF to rGF on tensile, flexural and vibration damping performance are investigated. Key results are the significant increase in tensile strength by in situ sizing (40 % sized at 60 wt% BF) and in flexural modulus (+58 % sized at 60 wt% BF) and flexural strength (+41 % sized 60 wt% BF) compared to the unsized equivalent. For BF-rGF hybrid composites with40 wt% total fiber content, flexural strength and modulus were improved by 51 % and 231 % respectively for a 1:1 ratio BF:rGF compared to BF reinforced system. Lastly, identifying the cross-over point where damping and stiffness are optimized for a hybrid composite. These findings demonstrate that these composites can be used as alternative to synthetic fiber or mineral filled composites in automotive applications, particularly where weight reduction, vibration damping and stiffness are desired.

Banana fiber↗

Ultrasonic characterization of material heterogeneities in stainless steel components produced by laser powder bed fusion

We introduce pulse-echo ultrasound as a method for characterizing the impact of powder bed fusion parameters on the properties of additively manufactured stainless-steel components, their material anisotropy, and location-dependent heterogeneity. Our results indicate that accurate characterization requires careful selection of ultrasonic propagation paths, which must consider the direction of additive layering, variations in processing parameters, and the component's geometry. We employed two distinct methods to estimate material properties from ultrasonic data: One assumes isotropy, while the other accounts for anisotropic interactions during the propagation of elastic waves. When applied to samples fabricated with laser energy densities ranging from 24 to 42 J/mm³ , these methods revealed transverse isotropy and weak anisotropy (quantified by small Thomsen parameters, ε = 0.0651 and γ = 0.0092) and less than a ∼6 % change in acoustic impedance. The assumption of isotropy, in this case, leads to small errors (less than 4 % or 1 % for Young's modulus in the build or transverse directions) when estimating orthotropic material properties using ultrasonic data measured along just two orthogonal directions, one of which must align with the build direction. By comparing ultrasonic measurements — which aggregate the spatial variability in material properties along the length of elastic wave propagation into a single value — with localized measurements obtained from surface nanoindentation, we uncovered and spatially profiled significant differences between the surface and interior properties. Specifically, the surface Young's modulus decreased from approximately 210 GPa to 180 GPa within a depth of about 3 mm. We attribute this surface-localized heterogeneity in PBF-fabricated components to distinct thermal histories experienced by the surface and interior regions. Collectively, the results of this study establish a framework for the ultrasonic characterization of material heterogeneity and anisotropy in material properties and demonstrate its application in additively manufactured metal components.

36 MATERIALS SCIENCE↗

Creep suppression and fatigue in bio-based composites manufactured via conventional and large format additive manufacturing processes

The emergence of novel extrusion-based additive manufacturing (AM) processes has prompted the development of new thermoplastic composite feedstocks, and broadening sustainability initiatives have driven the development of bio-based and recyclable material for AM feedstocks. Poly(lactic acid) (PLA) with wood flour (WF) is one composite system that has been demonstrated in numerous AM applications, as well as traditional processing methods (i.e., compression and injection molding); however, there has been a need to understand how the variation in processing methodology impacts the material performance of these bio-based feedstocks from a fundamental perspective, with particular emphasis on creep for an extended application use-life. Herein, PLA/WF is explored as a feedstock material for large format additive manufacturing (LFAM) and the performance of additively manufactured materials is compared to those produced via more traditional processing methods. It is also demonstrated that the addition of WF decreases the material’s coefficient of thermal expansion (CTE) while increasing its Young’s modulus, susceptibility to water uptake, and creep fatigue resistance. Essentially, the addition of 20 wt% WF results in a 92 % decrease in rubbery regime CTE while simultaneously resulting in a 14 % increase in modulus, 190 % increase in water uptake, and a 31 % decrease in residual strain after cyclic creep tests. The processing method was also found to play a large role in the final part performance, with the printed material increasing the crystallinity by 183 % and 214 % compared to its compression and injection molded counterparts. Furthermore, the porosity of printed samples increased by two orders of magnitude compared to samples prepared via traditional processing methods.

36 MATERIALS SCIENCE↗

Evaluating Fracture Behavior of Bioinspired Alumina-YSZ Composites through Static and Dynamic Mechanical Testing

Ceramic materials are known for their high hardness and strength but are limited by low toughness and sudden failure. Inspired by the microstructure of dental enamel, which features undulating rods that promote crack deflection and energy absorption, architected specimens were designed and manufactured. A bespoke ball-on-ring (BoR) testing apparatus measured the static biaxial rupture strength of these bioinspired materials. Additionally, impact testing with spherical steel projectiles assessed their behavior under dynamic conditions. Monolithic alumina specimens were compared to architected alumina reinforced with yttria-stabilized zirconia (YSZ) rods produced via direct ink write 3D printing. BoR tests revealed that monolithic alumina had a Weibull modulus of 10.53 and a characteristic strength of 372.3 MPa, while the composite specimens showed a Weibull modulus of 5.46 and a characteristic strength of 213.3 MPa. Although the composite failed at lower stresses and projectile velocities, it exhibited notable crack deflection and fracture resistance, with cracks being effectively interrupted by the rod inclusions. The composite specimens also resulted in fewer and larger fragments upon impact. Finite element simulations confirmed the effectiveness of the rod structures in enhancing fracture resistance.

Bioinspired materials↗

Thick graded interfaces increase wear resistance in Ti/TiN nanolayered thin films

Multilayered composites with nanoscale layer thickness incorporating titanium and titanium nitride (Ti/TiN) are used as a model system to study the effects of heterophase interface structure on elastic and plastic deformation, as well as wear behavior. Here, in this work, hardness, modulus, and wear rate under dry reciprocating sliding contact are quantified as a function of Ti-TiN heterophase interfacial nitrogen gradient thickness for Ti/TiN multilayers with 10–80 nm layer thickness. Hardness and modulus are found to be inversely proportional to layer thickness and independent of interface gradient for most specimens. Wear rate is found to be inversely proportional to interface gradient thickness at constant layer thickness, demonstrating that control of nanoscale interface structure is a valid approach to enhancing wear behavior. The materials studied in this work wear comparably or slower than other Ti- and TiN-based composites in the literature, providing a promising avenue for engineering wear-resistant materials for use in industrially relevant applications.

Graded interfaces↗

Spray Manufacturing Thermal Insulation Composites

Cellulose-based thermal insulation materials present significant potential for modern green building applications due to their inherent carbon sequestration properties. However, traditional manufacturing of composites often results in the limited thermal insulation performance and embodied carbon footprint due to an increased density from material shrinkage and higher energy consumption during the water-based slurry drying process. Here, we report solvent spraying coupled with dry powder feedstock to manufacture highly porous silica/straw insulation composites. The manufactured composite exhibits negligible shrinkage with the density of 0.08 g/cm 3 , thermal conductivity of 27.8 mW/(m·K), flexural modulus of 3.1 MPa, and compressive modulus of 0.89 MPa. Additionally, the prepared composite demonstrates fire retardancy (burning rate of 0.5 mm/min) and recyclability (99%). Furthermore, this solvent-spraying strategy opens up opportunities of energy-efficient insulation materials for carbon-sequestration building sectors.

36 MATERIALS SCIENCE↗

Deep-Learning Interatomic Potential Connects Molecular Structural Ordering to the Macroscale Properties of Polyacrylonitrile

Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental understanding of governing interactions among PAN molecular units is indispensable for advancing the design principles of final products at reduced processability costs. While ab initio molecular dynamics (AIMD) simulations can provide the necessary accuracy for treating key interactions in polar polymers, such as dipole–dipole interactions and hydrogen bonding, and analyzing their influence on the molecular orientation, their implementation is limited to small molecules only. Herein, we show that the neural network interatomic potentials (NNIPs) that are trained on the small-scale AIMD data (acquired for oligomers) can be efficiently employed to examine the structures and properties at large scales (polymers). NNIP provides critical insight into intra- and interchain hydrogen-bonding and dipolar correlations and accurately predicts the amorphous bulk PAN structure validated by modeling the experimental X-ray structure factor. Furthermore, the NNIP-predicted PAN properties, such as density and elastic modulus, are in good agreement with their experimental values. Overall, the trend in the elastic modulus is found to correlate strongly with the PAN structural orientations encoded in the Hermans orientation factor. In conclusion, this study enables the ability to predict the structure–property relations for PAN and analogues with sustainable ab initio accuracy across scales.

36 MATERIALS SCIENCE↗

Self-Sensing Composites via an Embedded 3D-Printed PVDF-MoS 2 Nanosensor for Structural Health Monitoring

Carbon fiber (CF)-reinforced epoxy composites are widely used in vehicle applications, where early damage detection is crucial for reliability and safety. To address this need, we developed a self-sensing epoxy/CF composite by embedding a PVDF-MoS 2 nanosensor via an embedded 3D printing method. By harnessing the intrinsic curing kinetics of epoxy, we tailored its rheological properties to optimize the embedded printing process, enabling precise and reliable support for sensor filaments without compromising the composite’s structural and functional integrity. Through comprehensive rheological and kinetic analysis, we established a quantitative relationship among curing temperature, conversion rate, and resulting yield modulus─defining a narrow processing window essential for successful sensor integration. Specifically, we identified that an epoxy yield modulus range of 180–294 Pa and a conversion rate below 10% are critical to support the PVDF-MoS 2 filament architecture. Here, this embedded 3D printing method produces complex and multimaterial PVDF-MoS 2 sensors within an epoxy matrix with minimal deformation and reduced postprocessing, which is scalable and adaptable for industrial applications. Under cyclic loading, the embedded sensors exhibited stable signals under constant loads and increased voltage signals in response to crack formation (17–35% higher) and catastrophic failure (1 order of magnitude higher), effectively capturing structural changes in real time. This study demonstrates the potential of PVDF-MoS 2 nanocomposite sensor materials for real-time structural health monitoring in epoxy–CF composite systems, enabling early detection of defects and stress anomalies, significantly reducing the risk of unexpected failures, and enhancing structural reliability.

PVDF-MoS2 sensor↗

Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites

Molecular simulations demonstrate that the enthalpic softening of elastomeric nanocomposites upon heating can arise naturally from a Poisson’s ratio mismatch between elastomer and nanoparticle networks, providing a more parsimonious explanation for this phenomenon than the widely accepted interpretation based on glassy interparticle bridging. Despite a century of use, the mechanism of nanoparticle-driven mechanical reinforcement of elastomers is unresolved. Here, a major hypothesis attributes it to glassy interparticle bridges, supported by an observed inversion of the variation of the modulus E(T) on heating – from entropic stiffening in elastomers to enthalpic softening in nanocomposites. Here, molecular simulations reveal that elastomer enthalpic softening can instead emerge from a competition over the preferred volumes between elastomer and nanoparticulate networks. A theory for this competition accounting for softening of the bulk modulus on heating predicts the simulated E(T) inversion, suggesting that reinforcement is driven by a volume-competition mechanism unique to cocontinuous systems of soft and rigid networks.

Biopolymers↗

Effects of chemical composition and physicochemical properties of poplar biomass on the performance of 3D printed poplar-reinforced PLA materials

Lignocellulosic biomass has been well-acknowledged as a filler for making 3D printed composites. The technical performances of composites were influenced by the characteristics of the components. The correlations between poplar biomass properties and the mechanical and thermal performances of the 3D printed poplar-plastic composites were investigated. The characteristics of poplar were modified by different pretreatment methods, including using hot water, dilute acid, and organic solvent (organosolv), and each treated poplar biomass was applied as a filler in a polylactic acid (PLA) polymer matrix to produce eco-friendly materials. These solvent pretreatments increased the hydrophobicity and surface area of poplar. Organosolv treated poplar showed the highest cellulose content and significantly increased Young's modulus of its biocomposites. Principal component analysis revealed that the specific surface area and water contact angle of biomass contributed to the thermal stability of biocomposites. Additionally, the degree of polymerization of cellulose and xylan content within the biomass correlated with the biocomposites' break stress. Notably, the crystallinity of biocomposites impacted the modulus of these materials. The reported relationships between biomass characteristics and 3D printed composite behaviors provide guidance for optimizing biomass processing in biocomposite applications.

Ji, Anqi [State Univ. of New York (SUNY), Syracuse↗

Upcycling waste PET into functional multiblock copolymers through controlled macromolecular design

Poly(ethylene terephthalate) (PET) oligomers derived from glycolysis depolymerization were converted into multiblock copolymers through diisocyanate-mediated coupling with dihydroxy-terminated oligomers, enabling precise control over copolymer sequence distribution, connectivity, and mechanical performance. Here, we demonstrate that telechelic PET oligomers isolated directly from depolymerized consumer waste can serve as reactive building blocks for the formation of segmented multiblock copolymers, eliminating the need to revert to monomeric feedstocks. Dihydroxy-terminated PET oligomers (Mw ≈ 8 kg mol−1) were coupled with poly(ethylene oxide) (PEO, Mw ≈ 4 kg mol−1) to form PET-PEO multiblock copolymers with high molar mass (Mw ≈ 160 kg mol−1). We further show that the timing of end-capping reactions provides a key control parameter that governs the competition between chain extension and termination, thereby dictating the resulting multiblock architecture and molecular-weight evolution. Evaluation of their mechanical properties reveals that virgin PET exhibits high modulus (∼3 GPa) and strength (43 MPa) but limited ductility (<10% elongation). In contrast, PET–PEO multiblock copolymers retain comparable tensile strength (44 MPa), albeit while exhibiting dramatically enhanced ductility (>90% elongation), forming tougher materials with efficient stress transfer between the rigid PET domains and the flexible PEO segments. When incorporated into PET/PEO blends at low loadings, the multiblock copolymers serve as effective compatibilizers, yielding materials with an intermediate modulus (1.1–1.2 GPa) and improved elongation compared to uncompatibilized blends. Furthermore, the presence of PEO blocks increases water uptake and gas permeability relative to virgin PET, reflecting the tunability of molecular transport through the copolymeric blocks. To our knowledge, this represents the first report of PET–PEO multiblock copolymers derived from post-consumer PET for gas transport applications. These results demonstrate that multiblock copolymer formation from telechelic PET oligomers provides a versatile platform for tailoring the mechanical and transport behavior of polyester-based materials through controlled macromolecular design and establishes a generalizable strategy for transforming consumer plastic waste into functional segmented polymers without requiring complete depolymerization to monomers.

Watson-Sanders, Shelby [Department of Chemistry, U↗

Shear strength of a refractory high entropy alloy MoNbTaVW under high pressure

Radial X-ray diffraction (R-XRD) was performed in situ using a Panoramic Diamond Anvil Cell on the refractory high entropy alloy MoNbTaVW. The lattice parameters were determined through a Le Bail fit using a body centered cubic (BCC) lattice of symmetry $Im$$\overline{3}$$m$ (international space group number 229). Upper and lower bounds to the shear strength were determined up to 80 GPa nonhydrostatically using copper as a pressure standard. The equation of state was derived at the magic angle ψ = 54.7° and yielded a bulk modulus of K 0 = 220.8 ± 1.65 GPa. The experimental lattice parameters and bulk modulus match closely with corresponding density functional theory (DFT) calculations. The BCC phase remains stable up to the highest pressure of 80 GPa studied and is shown to be elastically anisotropic. The shear strength was found to saturate around 70 GPa with a value of τ = 1.75 GPa, and the shear moduli are presented in different limits of iso-strain and iso-stress.

36 MATERIALS SCIENCE↗

Mechanical characterization of Bi-2212 composite winding pack samples for high-field superconducting magnet design

Bi₂Sr₂CaCu₂O8−x (Bi-2212) multi-filament round wire is a high-temperature superconductor (HTS) capable of carrying high transport currents, which makes it suitable for high-field magnet applications. However, its weak Ag–Mg sheath leaves it vulnerable to mechanical stress, posing challenges for high-field magnet design. To better understand and improve mechanical stress management in Bi-2212 winding packs, we conducted an experimental study evaluating the axial stress–strain behavior of five winding pack configurations with varying insulation materials, reinforcement strategies, and construction quality. Using uniaxial tensile testing at 77 K, we measured Young’s modulus and Poisson’s ratio for each composition. Our results show that pure alumina braid insulation and co-wind reinforcements significantly enhance stiffness compared to aluminosilicate braids, with more than 2.5 times increased winding pack Young’s modulus. Rule of mixtures analysis further quantified the contribution of non-wire composite components to overall stiffness. These findings highlight the critical role of insulation material selection and reinforcement design in optimizing Bi-2212 coil performance under stress, providing a foundation for improved mechanical models and more reliable high-field HTS magnet designs.

Bi-2212 magnet↗

Crystal structure, compressibility, and thermal expansion of uranium mononitride

The behavior of the uranium mononitride (UN) crystal structure at nonambient conditions is disputed, with studies proposing various mutually exclusive distortions and transformations of the conventional face-centered-cubic structure at extreme temperatures and pressures. Here, in this study, we investigated the UN lattice with diamond anvil cell x-ray diffraction experiments at pressures up to 92 GPa and with density functional theory calculations at temperatures up to 1000 K and pressures up to 90 GPa. We determined that while the UN structure is nearly cubic at ambient conditions, its lattice angle (𝛼) varies as a function of pressure and temperature, meaning its structure can be more precisely described as face-centered-rhombohedral with 𝛼 ≈ 90∘. Over the range of conditions we investigated, UN exhibits a single, isostructural phase transition at ≈ 35 GPa, where 𝛼 collapses to ≈ 86°. Measurements and calculations agree that the compressibility of UN increases significantly beyond this transition, with the bulk modulus falling from ≈ 200 GPa in the low-pressure phase to 121 ± 3 GPa (according to calculations) or 58 ± 4 GPa (according to measurements) in the high-pressure phase. Our measurements also allowed us to constrain the bulk modulus of 𝛼−U 2 ⁢N 3 to 240 ± 10 GPa.

36 MATERIALS SCIENCE↗

Moduli axions, stabilizing moduli, and the large field swampland conjecture in heterotic M-theory

We compute the F- and D-term potential energy for the dilaton, complex structure, and Kähler moduli of realistic vacua of heterotic M-theory compactified on Calabi-Yau threefolds where, for simplicity, we choose ℎ 1,1 = ℎ 2,1 = 1. However, the formalism is immediately applicable to the “universal” moduli of Calabi-Yau threefolds with ℎ 1,1 = ℎ 1,2 > 1 as well. The F-term potential is computed using the nonperturbative complex structure, gaugino condensate and “world sheet instanton” superpotentials in theories in which the hidden sector contains an anomalous U⁡(1) structure group. The Green-Schwarz anomaly cancellation induces inhomogeneous “axion” transformations for the imaginary components of the dilaton and Kähler modulus—which then produce a D-term potential. V D is a function of the real components of the dilaton and Kähler modulus (s and t) that is minimized and precisely vanishes along a unique line in the s–t plane. Excitations transverse to this line have a mass m anom which is an explicit function of t. The F-term potential energy is then evaluated along the V D = 0 line. For values of t small enough that m anom ≳ M U —where M U is the compactification scale—we plot V F for a realistic choice of coefficients as a function of the Pfaffian parameter p. We find values of p for which V F has a global minimum at negative or zero vacuum density or a metastable minimum with positive vacuum density. In all three cases, the s, t, and associated “axion” moduli are completely stabilized. Finally, we show that, for any of these vacua, the large t behavior of the potential energy satisfies the “large scalar field” Swampland conjecture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗