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At least 289 records · Page 16

Microstructural characterization and equibiaxial flexural strength of CeO 2 and Ti-doped CeO 2

In this study, the synthesis of CeO 2 and titanium dioxide (TiO 2 ) doped CeO 2 (TDC) monoliths are investigated, and their fracture strength is assessed using an equibiaxial flexure testing technique at room temperature. Pellets were synthesized using conventional powder processing and sintering methods to produce the desired characteristics. The TiO 2 dopant concentration was optimized at 0.1 wt % TiO 2 to obtain dense, solid-solution pellets with an enhanced grain microstructure. A ball-on-ring fixture was used to obtain the TRS and Weibull parameters of over 30 pellets for CeO 2 and 0.1 wt % TDC to compare fracture behavior. The TRS of CeO 2 pellets ranged from 88 to 160 MPa and the TRS of 0.1 wt % TDC pellets ranged from 102 to 171 MPa, both being consistent with published values. Weibull parameters, such as characteristic strength and Weibull modulus, were extracted as 129 MPa and 8.5 for CeO 2 and 150 MPa and 9.3 for 0.1 wt % TDC, respectively. Although Hertzian contact damage was observed on compressive surfaces, failure initiation occurred on the tensile surfaces of both types of samples. Fracture surface analysis for CeO 2 indicated a predominantly intergranular fracture while 0.1 wt % TDC had a predominantly transgranular fracture mode. Finally, the TRS of 0.1 wt % TDC resulted in increased Weibull parameters when compared to CeO 2 , indicating sample chemistry and microstructure impact mechanical behavior for these samples.

36 MATERIALS SCIENCE↗

PET waste- and bio-derived imine vitrimers for shape-memory, intrinsic flame-retardant, and recyclable carbon fiber composites

Developing circular multifunctional vitrimers and carbon fiber–reinforced polymers (CFRPs) that are simultaneously recyclable, mechanically robust, and intrinsically flame retardant remains a major challenge. Here, in this study, we report multifunctional vitrimers and their carbon fiber–reinforced vitrimer (CFRV) composites, where the vitrimer design integrates closed-loop recyclability, enhanced interfacial adhesion, and intrinsic flame retardancy within a single materials platform. The vitrimer matrix is synthesized from post-consumer polyethylene terephthalate (PET) waste and a vanillin-derived phosphorus-containing crosslinker, forming an imine-based network. The resulting vitrimer resin exhibits high tensile strength, thermal healability, repeated reprocessability, programmable shape memory, and rapid chemical depolymerization under mild conditions. Amine-functionalized carbon fibers significantly improve fiber–matrix interfacial bonding, yielding CFRVs with tensile strengths up to 789 MPa and complete recovery of structurally intact fibers after chemical recycling. The phosphorus-rich aromatic network further imparts intrinsic flame retardancy, enabling self-extinguishing behavior without external additives. This work advances a materials design paradigm for next-generation multifunctional, sustainable vitrimers and CFRVs, while simultaneously addressing the recycling challenges associated with both plastic and CFRP waste.

Bio-derived crosslinker↗

Loading direction dependence of asymmetric response of pyramidal slip in rolled AZ31 magnesium alloy

Textured magnesium alloys usually exhibit anisotropic mechanical behavior due to the asymmetric activation of different twinning and slipping modes. This work focuses on the pyramidal slip responses of rolled AZ31 magnesium alloy under two loading conditions, compressive and tensile loading along the normal direction. Under the condition where the compressive loading direction is closely parallel to the c-axis of the unit cell, tensile twinning and basal slips are prohibited, dislocations then active and tend to accumulate at grain boundaries and form dislocation walls. Meanwhile, these dislocations exhibit zigzag morphologies, which result from the cross-slip from {$10\bar{1}1$} first-order pyramidal plane to {$11\bar{2}2$} second-order pyramidal plane, then back to {$10\bar{1}1$} first-order pyramidal plane. Under the condition where tensile twins are prevalent, {$10\bar{1}1$} first-order and {$11\bar{2}2$} second-order pyramidal dislocations are favorable to be activated. Both types of dislocations behave climb-like dissociations onto the basal plane, forming zigzag dislocations. first-order pyramidal plane to second-order pyramidal plane, then back to first-order pyramidal plane. Under the condition where tensile twins are prevalent, first-order and second-order pyramidal dislocations are favorable to be activated. Both types of dislocations behave climb-like dissociations onto the basal plane, forming zigzag dislocations.

36 MATERIALS SCIENCE↗

Irradiation-Induced Structural Disorder and Its Influence on the Mechanical Response of Polycrystalline MoS2

Molybdenum disulfide (MoS2) thin films are widely used as dry-film lubricants and protective coatings in aerospace and other radiation-exposed environments. Conventional synthesis routes produce polycrystalline films whose grain boundaries and other native defects cause their mechanical and tribological behavior to differ substantially from that of ideal single crystals. Under irradiation, these films progressively evolve from polycrystalline structures, composed of layered MoS2 grains, into highly disordered and eventually amorphous structures, altering both their tribological performance and mechanical integrity. Here, we employ reactive atomistic simulations to investigate irradiation-driven structural evolution in bulk polycrystalline MoS2. Using controlled primary knock-on atom (PKA) events, we characterize the progressive transition from a polycrystalline microstructure to an amorphous network by tracking defect accumulation and structural disorder. We then establish how this transition modifies the dominant deformation mechanisms and the temperature-dependent tensile response. Specifically, irradiation suppresses interlayer sliding and delamination, mechanisms which facilitate the deformation of the pristine polycrystal, resulting in defect-induced hardening. Broadly, our results establish direct process–structure–property relationships linking irradiation-induced defect accumulation, microstructural evolution, deformation mechanisms, and mechanical behavior, providing an atomistic framework for understanding the structural integrity and long-term reliability of irradiated MoS2 coatings.

Moore, Daniel [Sandia National Laboratories (SNL)]↗

Evaluation of Common Thermoplastic Polymers in High-Pressure Cycling Hydrogen Under Ambient and Cold Environments as Applicable to the Hydrogen Infrastructure

Thermoplastic polymers are required to perform unfailingly under stringent conditions of changing pressures (35 MPa to 70 MPa) and temperatures (-40°C to +85°C) in storage and fueling operations. Although diffusivity in glassy polymers appear to be an order of magnitude lower than elastomers, polymer microstructural attributes such as degree of crystallinity and presence of polar and non-polar groups on the main chain with and without branching can play a substantial role in influencing their behaviors in hydrogen environments. In the work described here, the effect of high-pressure hydrogen cycling on PEEK, PTFE, PA11, HDPE, POM (and different commercial grades of these polymers) under ambient and cold (-40°C) conditions is addressed. Ex-situ characterization for polymer changes included density measurements for impact of hydrogen retention, hardness changes using nanoindentation, storage modulus and glass transition changes using dynamic mechanical and thermal analysis (DMTA), degree of crystallization with Differential Scanning Calorimetry (DSC) and tensile testing following ASTM D412. In other evaluations, solid-state nuclear magnetic resonance (NMR), attenuated total reflectance Fourier transform infra-red spectroscopy (ATRFTIR), X-ray diffraction (XRD), and X-ray CT results are presented. The overall impact of these evaluations is to establish a technical basis for the behaviors of common thermoplastics in cycling hydrogen environments under ambient and cold temperatures while establishing the relationship between polymer structure-based properties and hydrogen transport effects.

Menon, Nalini C.↗

Anisotropic Phonon Response of Few-Layer PdSe 2 under Uniaxial Strain

PdSe 2 , an emerging 2D material with a novel anisotropic puckered pentagonal structure, has attracted growing interest due to its layer-dependent electronic bandgap, high carrier mobility, and good air stability. In this work, a detailed Raman spectroscopic study of few-layer PdSe 2 (two to five layers) under the in-plane uniaxial tensile strain up to 3.33% is performed. Two of the prominent PdSe 2 Raman peaks are influenced differently depending on the direction of strain application. Additionally, the A g 1 mode redshifts more than the A g 3 mode when the strain is applied along the a -axis of the crystal, while the A g 3 mode redshifts more than the A g 1 mode when the strain is applied along the b -axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe 2 and also allows the identification of the crystal axes. The results are further supported using first-principles density-functional theory. Interestingly, the near-zero Poisson’s ratios for few-layer PdSe 2 are found, suggesting that the uniaxial tensile strain can easily be applied to few-layer PdSe 2 without significantly altering their dimensions at the perpendicular directions, which is a major contributing factor to the observed distinct phonon behavior. The findings pave the way for further development of 2D PdSe 2 -based flexible electronics.

36 MATERIALS SCIENCE↗

A cavitation and dynamic void growth model for a general class of strain-softening amorphous materials

In this work, we derive a homogenized framework for cavitation and dynamic void growth in a general class of strain-softening materials with particular emphasis on amorphous materials. Analytic solutions are derived by considering an assemblage of spherical shells subject to dynamic hydrostatic tensile pressure. The isochoric response of the matrix material is captured by a free volume theory based amorphous viscoplasticity model. The framework accounts for the coupled rate-dependent, strain-softening behavior typically exhibited in amorphous materials. Validation of the homogenized theory is carried out against numerous direct numerical simulations with excellent agreement. Furthermore, we find that a reduction in cavitation strength and significant acceleration of dynamic void growth rates is induced as a consequence of strain-softening in the amorphous matrix material. Lastly, the model is utilized to interpret some non-intuitive experimental observations of amorphous materials subject to shock compression and subsequent spall failure.

36 MATERIALS SCIENCE↗

Additive manufacturing of nickel-based superalloys: A state-of-the-art review on process-structure-defect-property relationship

Fusion-based additive manufacturing (AM) has significantly grown to fabricate Nickel-based superalloys with design freedom across multiple length scales. Several phenomena such as feedstock/energy source/melt pool interactions, solidification and phase transformations occur during fusion-based AM processes of Nickel-based superalloys, which determine the ultimate microstructure and mechanical performance of the built parts. In this review, here we elaborate a comprehensive discussion on AM Nickel-based superalloys and influential factors including feedstock characteristics (powder morphology, chemistry, contamination, flowability, recycling) and AM processing (parameters, and powder spreading/wall/balling/spattering effects) on their microstructure (micro-segregation, phases formations and grain structures), defect generation (sub-surface/internal defects, microcracks, surface roughness, and residual stress). Furthermore, the mechanical properties of AM Nickel-based superalloys such as tensile, creep and fatigue at room/elevated temperatures are analyzed in accordance with the initial, and post processing effects. Additionally, the commonly utilized modeling approaches in literature to predict the microstructure and mechanical behavior of these alloys are highlighted. Finally, the current challenges and mitigation approaches for future research are identified considering the gaps in the AM Nickel-based superalloys.

36 MATERIALS SCIENCE↗

Thermal Stability and Lattice Strain Evolution of High-Nb-Containing TiAl Alloy under Low-Cycle-Fatigue Loading

The micromechanical behavior and the effect of temperature on the micromechanical mechanism of high-Nb-containing TiAl alloy during low-cycle fatigue still remain uncertain. Herein, in situ and ex situ synchrotron-based high-energy X-ray (HEXRD) experiment results reveal that the gamma and omega(o) phases suffer compressive lattice strains but the lattice strain in the alpha(2) phase evolves from tensile to compressive during low-cycle fatigue at 900 degrees C. In addition, the three phases suffer compressive lattice strains during cooling to room temperature, which could result in larger compressive lattice strains in gamma and omega(o) phases and the change of the lattice strain state in the alpha(2) phase. The peak-broadening results show gamma recrystallization is dominant in the interrupted low-cycle-fatigue samples, whereas inhomogeneous deformation occurs in the failed low-cycle-fatigue samples. The performed synchrotron diffraction experiments offer a deeper insight into the phase transformations and micromechanism of TiAl alloy during low-cycle fatigue.

cyclic stress-strain behavior↗

A macro-micro approach for identifying crystal plasticity parameters for necking and failure in nickel-based alloy haynes 282

Here, this work develops a two-scales macro-micro approach to address the challenge in calibrating crystal plasticity microstructural models when samples undergo necking prior to fracture. The crystal plasticity models are crucial for predicting the materials’ plastic deformation and failure at the microstructure level, identifying the materials’ intrinsic properties as well as investigating the microstructure-properties relationships. However, after necking occurs, the experimentally measured stress-strain curves fail to reflect the materials ‘true’ stress-strain behavior and cannot be directly fitted into crystal plasticity models. The proposed macro-micro approach employs a top-down strategy to address this challenge, which has been studied with experimental tests on precipitation-strengthened Ni-based superalloy Haynes® 282®. In this approach, a macro rate-dependent anisotropic plasticity model with Voce-type hardening and Rice-Tracey damage law is first utilized to model the deformation and failure of the tensile bar, and calibrated by matching the stress-strain curves, necking strain, and reduction of area. Especially, to match the testing results under different applied strain rates, the rate-sensitivity parameter m and saturation stress in the elasticity model are modified to incorporate dependence on the local strain rate. Then, the ‘true’ stress-strain behaviors are extracted from the necking zone of the macro-model, which are used to calibrate a micro-model with explicit microstructures and governed by an extended crystal plasticity law. The consistency between the micro-model and macro-model are enforced during calibration. The calibration outcomes from the crystal plasticity model elucidate the materials intrinsic properties for slip, hardening, and failure, which is vital for further investigations into the microstructure-properties relationship and for accurate prediction of the material behavior under various test and service conditions.

36 MATERIALS SCIENCE↗

Influence of Air and Ethanol Dehydration on Structure, Behavior, and Function of Type I Collagen Scaffolds

Ethanol dehydration is a common step in both scaffold manufacturing and tissue processing, yet the influence of ethanol on collagen is not well understood. This study examined the effects of dehydration, via ethanol treatment and air drying, on collagen structure, behavior, mechanics, and rehydration capacity. Multiple material characterization methods were used including Fourier Transform infrared spectroscopy (FTIR), Raman spectroscopy, scanning electron microscopy, thermogravimetric analysis, small/medium angle x‐ray scattering, volumetric swelling analysis, and tensile testing. Ethanol dehydration removed bulk water from scaffolds, making them stronger and stiffer, but also showed loss of molecular water. This molecular water appears to act as a collagen stabilizer, resulting in less thermally stable scaffolds. The loss of molecular water is also evident in the molecular d‐spacing. Secondary structure of scaffolds was also altered by ethanol, resulting in significantly enhanced rehydration capacity. Bulk water, both before and after rehydration, largely determined mechanical properties, which did not correlate with other structural measures such as FTIR. While rehydration largely returned collagen spacing to pre‐ethanol treated state, structural alterations seen in FTIR cannot be recovered. These results have implications for not only collagen scaffolds, but in many tissue engineering and processing applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Microscale mechanical modeling of deformable geomaterials with dynamic contacts based on the numerical manifold method

Abstract Micromechanical modeling of geomaterials is challenging because of the complex geometry of discontinuities and potentially large number of deformable material bodies that contact each other dynamically. In this study, we have developed a numerical approach for micromechanical analysis of deformable geomaterials with dynamic contacts. In our approach, we detect contacts among multiple blocks with arbitrary shapes, enforce different contact constraints for three different contact states of separated, bonded, and sliding, and iterate within each time step to ensure convergence of contact states. With these features, we are able to simulate the dynamic contact evolution at the microscale for realistic geomaterials having arbitrary shapes of grains and interfaces. We demonstrate the capability with several examples, including a rough fracture with different geometric surface asperity characteristics, settling of clay aggregates, compaction of a loosely packed sand, and failure of an intact marble sample. With our model, we are able to accurately analyze (1) large displacements and/or deformation, (2) the process of high stress accumulated at contact areas, (3) the failure of a mineral cemented rock samples under high stress, and (4) post-failure fragmentation. The analysis highlights the importance of accurately capturing (1) the sequential evolution of geomaterials responding to stress as motion, deformation, and high stress; (2) large geometric features outside the norms (such as large asperities and sharp corners) as such features can dominate the micromechanical behavior; and (3) different mechanical behavior between loosely packed and tightly packed granular systems.

58 GEOSCIENCES↗

Determining the tensile strength of fuel surrogate TRISO-coated particle buffer, IPyC, and buffer-IPyC interlayer regions

A novel micro tensile sample fabrication technique for determining the tensile strength of the buffer, IPyC, and buffer -IPyC interlayer regions of surrogate (ZrO2) TRISO fuel particle layers was refined and implemented. Copper micro tensile samples served as baseline materials to verify the methods used. Tensile tests performed in this study, while limited in number, were analyzed using standard and Weibull statistics. As expected, the buffer layer was weakest, with an average ultimate tensile strength of 138.70 MPa, and the IPyC layer samples, were strongest, with an average ultimate tensile strength of 189.74 MPa. In the buffer -IPyC interface samples, all breaks occurred in the buffer region, though the average ultimate tensile strength of the samples, 159.80 MPa, was between the pure buffer and IPyC samples. These results suggest the interlayer region has unique properties, perhaps associated with pyrocarbon infiltration into the buffer layer during particle coating. All interlayer samples fractured within the buffer side; however, the stress strain behavior of some of these samples resembled the behavior of the IPyC layer samples. Here, the buffer and IPyC layer strengths had a normal distribution under Weibull analysis, while the interlayer region had a Rayleigh distribution. Further testing is needed to clarify both the standard and Weibull statistical results

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Designing Physicochemically‐Ordered Interphases for High‐Performance Composites

To enhance the mechanical properties of carbon fiber‐reinforced polymer composites, a physicochemical scaffold is designed incorporating microscopically architected chemically reactive nanofibers that act as a multiscale bridge between the carbon fibers and the matrix. Thermally activated nanofibers leverage their morphologically driven mechanochemical properties to form covalent bonds with adjacent polymer molecules, creating a co‐continuous network that dramatically enhances fiber‐matrix load transfer. By meticulously controlling the nanofiber architecture through variable surface area, functional group availability, and polymer chain alignment effects, the extent of covalent bonding between nanofibers and the matrix is manipulated ultimately resulting in improved carbon fiber‐matrix adhesion. Further, the concept was validated using polyacrylonitrile nanofibers within an acrylonitrile butadiene styrene matrix in a discontinuous carbon fiber‐reinforced composite system. Nanomechanical studies using atomic force microscopy and low‐field nuclear magnetic resonance spectroscopy confirmed immobilized, chemically transferred, and ordered nanostructures at the interphase. The resulting composites demonstrated ≈56% and ≈175% improvements in tensile strength and toughness, respectively, compared to composites without nanofiber. Comprehensive thermal, rheological, and X‐ray scattering analyses, along side all‐atomic molecular dynamics simulations, revealed the fundamental mechanisms behind these improvements in mechanical behavior. The versatility and efficacy of the approach have the potential to address longstanding interphase challenges in the composite industry.

36 MATERIALS SCIENCE↗

A Discussion of Strength Reduction Factor Development for Thermal Aging Effect on Nuclear Structural Alloys

In consideration of structural alloy property deterioration during long-term exposure to elevated temperatures, the yield and ultimate tensile strength reduction factors are provided in the Boiler and Pressure Vessel Code Section III for nuclear reactor component design and operation analysis. Because the Gen IV reactor requirement of 40 ~ 60 years of service life makes it difficult to acquire such long exposure test data for developing the reduction factors, they must be derived from test data with relatively short exposure by predictive methods considered to be reasonably reliable. A novel approach with a physically-based model has recently been proposed for application to development of reduction factors for 9Cr-1Mo-V. In the model, contributors to the tensile strength are first identified and related to definite microstructural features of the alloy, then some physically-based methods are employed to simulate the microstructural evolution, and finally the model is assembled with test-data-calibrated parameters to generate the yield and ultimate tensile strength reduction factors covering elevated temperature exposure for up to 57 years. The approach is undoubtedly a trailblazing development that will, if proven reliable, lead to a paradigm shift in predicting thermal aging behavior of many other alloys. Its debut application to Section III, however, concerns nuclear safety and naturally warrants objective, impartial, and thorough technical scrutiny. In the present paper, the novel and conventional approaches are discussed. Necessary improvements to the novel approach are recommended for its application to nuclear structural component design and analysis, and for its potential expanded use to other alloys.

Ren, Weiju↗

Discovery, Design, Synthesis and Testing of High Performance Structural Alloys (Final Technical Report)

The overarching goal of this project is to understand the phase stability and mechanical behavior of non-stoichiometric multi-principal element alloy (MPEA) materials. In order to identify suitable alloys, we plan to use a combinatorial thin film screening approach, in collaboration with scientists at Lawrence Berkeley National Laboratory who are performing computational work as well as complementary experimental work. Specific tasks within the scope of this project include the fabrication, using thin film deposition from six sputtering targets, of combinatorial samples with multi-dimensional gradients in composition and microstructure. These samples are studied to screen MPEA systems for promising candidate alloys with specific composition(s), based on characterization of composition, structure and mechanical behavior across the thin film. We want to produce single-phase MPEAs with chemical homogeneity in a given thin film region, simple grain structures, and no intermetallic phases present. Gradient films facilitate first-pass screening for desirable characteristics and inform the next stage of work that involves fabrication of bulk MPEA specimens for (tensile) mechanical testing and characterization. To make the bulk alloys, metal (elemental) pieces are melted to form MPEAs, followed by heat treatment to homogenize the composition and microstructure. A subset of alloys is also cast, using vacuum arc melting, to yield larger samples (diameter ~1 cm and length ~5-10 cm) and these allow us to assess viability of scale-up for the alloys in structural applications. Further processing plans include rolling and heat treatment to recrystallize selected bulk MPEAs and grow grains to different extents, in order to investigate size effects in the mechanical behavior of MPEAs. Microspecimen testing will be performed (primarily in tension) to assess the mechanical behavior over a range of temperatures. The deformation microstructure of mechanically tested alloys will be characterized using transmission electron microscopy (TEM) to provide a scientific basis for understanding the structure-property relationships in MPEA mechanical behavior.

36 MATERIALS SCIENCE↗

Effects of spatial energy distribution-induced porosity on mechanical properties of laser powder bed fusion 316L stainless steel

Laser powder bed fusion (LPBF) additive manufacturing (AM) offers a variety of advantages over traditional manufacturing, however its usefulness for manufacturing of high-performance components is currently hampered by internal defects (porosity) created during the LPBF process that have an unknown impact on global mechanical performance. By inducing porosity distributions through variations in print energy density and inspecting the resulting tensile samples using computed tomography, nearly 50,000 pores across 75 samples were identified. Porosity characteristics were quantitatively extracted from inspection data and compared with mechanical properties to understand the strength of relationships between porosity and global tensile performance. Useful porosity characteristics were identified for prediction of part performance. Results indicate that ductility and strain at ultimate tensile strength are the global tensile properties most significantly impacted by porosity and can be predicted with reasonable accuracy using simple porosity shape descriptors such as volume, diameter, and surface area. Moreover, it was found that the largest pores influenced behavior most significantly. Specifically, pores in excess of 125 µm in diameter were found to be a sufficient threshold for property estimation. These results establish an initial understanding of the complex defect-performance relationship in AM 316L stainless steel and can be leveraged to develop certification standards and improve confidence in part quality and reliability for the broader set of engineering alloys.

36 MATERIALS SCIENCE↗

Large elastic strains and ductile necking of W nanowires embedded in TiNi matrix

The deformation behaviors of W nanowires embedded in a TiNi matrix were investigated by means of in-situ synchrotron high energy X-ray diffraction (HEXRD) and in-situ transmission electron microscopy (TEM) analysis during tensile deformation. The HEXRD measurement indicated that the W nanowires exhibited an average lattice strain of about 1.50 %, whereas the TEM examination revealed a local elastic strain of about 4.59 % in areas adjacent to the TiNi matrix where stress-induced martensitic transformation occurred. This strain corresponds to a stress of ~15 GPa for the W nanowires. In addition, in areas adjacent to the TiNi matrix where plastic deformation and cracking were generated, the W nanowire showed significant ductile necking with ~80 % reduction in cross-section area. In conclusion, the ductile necking of W nanowire is attributed to the lack of protection from the stress-induced martensitic transformation of the TiNi matrix.

36 MATERIALS SCIENCE↗