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At least 19 records

Characterizing the Mechanisms of Ca and Mg Carbonate Ion-Pair Formation with Multi-Level Molecular Dynamics/Quantum Mechanics Simulations

The carbonate minerals of Ca and Mg are abundant throughout the lithosphere and have recently garnered significant research interest as possible long-term carbon sinks in the sequestration of atmospheric carbon dioxide. Nonetheless, an understanding of the atomic-level processes comprising their mineralization remains limited. Furthermore, we characterize and contrast the mechanisms of contact ion-pair formation in aqueous Ca and Mg carbonate systems, which represents the most fundamental step leading to the formation of their mineral solids. Utilizing multilevel embedded correlated wavefunction-based ab initio molecular dynamics/quantum mechanics simulations, we characterize not only the dynamics of these processes but also factors arising from the electronic structure of the involved species, revealing further details of the fundamentally different mechanisms for the interconversion between the contact ion-pairs and solvent-shared ion-pairs of Ca versus Mg carbonate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanical Characterization of Electrolyzer Membranes and Components Under Compression

Proton-exchange membrane (PEM) water electrolysis is a promising technology for producing clean hydrogen by electrochemically splitting water when paired with renewable energy sources. A major roadblock to improving electrolyzer durability is the mechanical degradation of the cell components, which requires an understanding of their mechanical response under device-relevant conditions. However, there is a lack of studies on the mechanical characterization of the PEM and other components, as well as and their interactions. This study aims to address this gap by using a custom-designed testing apparatus to investigate the mechanics of electrolyzer components in uniaxial compression at 25 and 80 °C. Findings show stress-strain response of components have a varying degree of nonlinearity owing to their distinct deformation mechanisms and morphologies, from porous structures to polymers. These results are used to develop an expression for compressive stress-strain response of Nafion membranes and then analyze the deformation of components under applied pressure by using a 1-D spring network model of cell assembly. This work provides a new understanding of mechanical responses of the electrolyzer membrane and cell components, which can help assess material design and cell assembly strategies for improved electrolyzer durability.

08 HYDROGEN↗

Multiscale Mechanical Characterization of Mineral-Reinforced Wood Cell Walls

Studying the multiscale mechanics of bio-based composites offers unique perspectives on underlying structure–property relations. Cellular materials, such as wood, are highly organized, hierarchical assemblies of load-bearing structural elements that respond to mechanical stimuli at the microscopic, mesoscopic and macroscopic scale. In this study, we modified oak wood with nanocrystalline ferrihydrite, a widespread ferric oxyhydroxide mineral, and characterized the resulting mechanical properties of the composite at various levels of organization. Ferrihydrite nanoparticles were deposited inside the wood cell wall by an in situ chemical reaction, resulting in increased stiffness and hardness of the functionalized secondary cell wall, as evidenced by region-specific nanoindentation tests under an electron microscope. Chemically modified and pristine wood samples were characterized by using atomic force microscopy in the bimodal frequency modulation mode, which produced topographical images from the cellular ultrastructure with high lateral resolution and localized nanomechanical information across distinct cell wall layers. In conclusion, despite mineral reinforcement at the cell wall level, the macroscopic fracture behavior examined through three-point flexural testing remained unchanged upon modification, as cell–cell adhesion could be impaired by harsh chemical conditions.

Cells↗

Mechanical Characterization of the NIF Ignition Target TMPSA Bonding Flexure

The Thermo-Mechanical Package Sub-Assembly (TMPSA) provides a critical mechanical, thermal, and electrical interface between a silicon arm and a TMP aluminum can in a NIF ignition target. During assembly, sixteen silicon pads are bonded to the aluminum using a fixture that positions the components and applies a repeatable prescribed displacement through a compliant flexure. The flexure converts fixture interference into displacement and reaction force. Because bondline thickness variation must be maintained within +/-4 µm, consistent flexure behavior is important to the assembly process. With a recent string of TMPSAs exhibiting low bond strength, the flexures were inspected. Despite being manufactured to the same specifications, flexures were found to exhibit variation in measured stiffness. Additionally, the measured stiffness values did not always follow the presumed beam mechanics model. This work addresses two questions: whether the bonding fixture is working as intended, and whether the previously made stiffness measurements are accurate representations of the use case. The flexures are analyzed using Euler-Bernoulli beam theory, measured beam dimensions, finite element analysis, and tolerance stack-up calculations. The analysis shows that the fixed-guided beam mechanics model appropriately represents the flexure during TMPSA bonding, but the chisel-tip stiffness measurement method introduces a deformation to the inner ring of the flexure that is not represented during use. The measured stiffness values should therefore be interpreted as test-condition stiffness values rather than direct measurements of operational flexure stiffness. The discrepancy is therefore attributed primarily to the measurement boundary condition rather than to failure of the fixed-guided beam model. Recommendations are provided for GD&T, dimensional inspection, and a representative stiffness testing method to better control bondline variation.

42 ENGINEERING↗

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↗

Mechanical characterization of fine-grain dispersion-strengthened tungsten as a plasma facing material

Field-Assisted Sintering Technology (FAST) was used to produce fine-grained, dispersion-strengthened tungsten (W) materials. Investigated materials 4138, 4353, and 4355 composed of 3 wt% ZrC sintered at 1800 °C, 5 wt% ZrC sintered at 1800 °C, and 3 wt% ZrC sintered at 2000 °C, respectively. They were compared against ITER-grade W. A series of mechanical and thermal property testing and microstructure studies were conducted to study them as a potential plasma facing material (PFM) for fusion reactors. Hardness testing showed that manufacturing conditions substantially altered hardness. Material 4355 had an average HV10 value of 497.2 ± 16.8, slightly higher than ITER-grade at 378.5 ± 40.3. However, material 4353 was substantially higher with an HV10 value of 738.9 ± 31.7 over the investigated temperature range. Electron Backscatter Diffraction (EBSD) analysis showed that FAST produced substantially smaller grains than the hot-rolled ITER-grade W material, offering notable control over grain size. Materials 4353 and 4355 had grain sizes of 0.44 ± 0.20 µm and 3.67 ± 0.89 µm, respectively, whereas ITER-grade 27.14 ± 19.76 µm at room temperature. The fine grain structures showed no net coarsening after 1 hr. anneals up to 1800 °C, several hundred degrees above the 1100 – 1500 °C recrystallization range reported for conventional W. Inverse application of the Zener pinning relationship to the measured grain sizes indicates that these two FAST sintering conditions produce markedly different effective dispersoid populations, with effective particle diameters of approximately 90 nm at a peak sintering temperature of 1800 °C and approximately 460 nm at 2000 °C, respectively. This result demonstrates that the FAST thermal condition itself, and not the nominal ZrC content alone, governs the pinning effectiveness of the dispersion. Thermal diffusivity measurements support this finding independently. Materials of identical composition sintered at different temperatures differ by approximately 19% in measured thermal diffusivity with statistically indistinguishable density, while materials of different composition and sintering temperature converge to within approximately 2%. At a representative divertor heat flux of 10 MW/m², the lower thermal conductivity of the fine-grained materials corresponds to approximately 28 to 33 °C per millimeter of armor thickness relative to ITER-grade W, traded against a substantially larger margin to recrystallization-driven degradation. While high temperature tensile testing revealed likely contamination that motivates refinement of the manufacturing process, FAST-produced, fine-grained, dispersion-strengthened W offers process-controlled microstructural stability well above the operating temperatures of conventional W and supports its continued development as a PFM for economically viable commercial fusion power.

Parker, Gabe [ORNL] (ORCID:0000000190394100)↗

Synthesis, microstructure and micro-mechanical characterization of metal (Nb, Ti) – MAX phase (Ti 2 AlC) nanolaminates

We utilize elevated temperature physical vapor deposition (PVD) techniques to design metal/MAX multilayered nanocomposite thin films with alternating nanoscale metallic (Nb, Ti) and MAX phase (Ti 2 AlC) layer thicknesses. These metal/MAX nanolaminate architectures attempt to exploit a unique hierarchical topology – as interfaces between the layers are expected to be in direct competition with the internal interfaces within the MAX layers, to drive their tunable macroscopic mechanical behavior. Two metal/MAX nanolaminates – Nb/Ti 2 AlC and Ti/Ti 2 AlC – were deposited. The Nb/Ti 2 AlC metal/MAX system showed highly diffused layer interfaces with distinct Ti – rich and Nb–Al – rich layers, with the presence of MAX phase alongside TiC and other Ti–Al and Nb–Al intermetallic phases. The Nb/Ti 2 AlC system possessed a layered architecture, though the MAX phases were not found to be continuously present in each alternating layer. The second Ti/Ti 2 AlC system showed a non-lamellar nanocomposite microstructure and the formation of mixed Ti n+1 AlC n phases (a mix of n = 1, 2), and no indication of layering. Diffusion occurring between the metal/MAX layers in both cases, likely due to the elevated temperatures during the deposition process, is speculated as the likely cause of these resultant microstructures. The mechanical properties of both systems were evaluated using micromechanical (nanoindentation and micro-pillar compression) techniques, which demonstrated high strengths for both systems (Nb system: yield and instability strengths of 4.88 ± 0.1 GPa and 5.57 ± 0.03 GPa, Ti system: yield and instability strength of 5.61 ± 0.28 GPa and 6.21 ± 0.25 GPa). In conclusion, this work highlights the promising mechanical properties of metal/MAX multilayered depositions and summarizes the challenges in PVD synthesis of metal/MAX multilayered nanolaminates.

MAX phase↗

In situ mechanical characterization of a single cell-cell adhesion interface under large strain

A method of measuring a stress-strain curve in a cell-cell adhesion interface, the method including: providing a structure including a first movable island supported by a first beam, a second movable island supported by a second beam, and a gap therebetween connected by a pair of cells forming a junction, the pair of cells comprising a cell-cell adhesion interface having an initial length defined by a distance between nuclei of the pair of cells; moving the second movable island with a defined displacement; determining a displacement of the first movable island based on moving the second movable island; calculating a difference between the displacement of the first movable island and the defined displacement of the second movable island based on moving the second movable island; determining an applied strain in the cell-cell adhesion interface between the pair of cells based on the difference divided by the initial length of the cell-cell adhesion interface; calculating a force between the cell-cell adhesion interface of the pair of cells based on the displacement of the first movable island; calculating a stress in the cell-cell adhesion interface between the pair of cells based on the force; and determining the stress-strain curve of the cell-cell adhesion interface between the pair of cells by plotting the calculated stress against the applied strain.

Yang, Ruiguo↗

Investigating Marine Environmental Degradation of Additive Manufacturing Materials for Renewable Energy Applications: Preprint

Marine renewable energy is a relatively young industry where there is a great need for rapid prototyping in design-build-test campaigns to quickly mature groundbreaking technologies. Additive manufacturing has an important role to play in the industry; however, little information is available to marine energy developers to help inform them on which additive manufacturing materials are appropriate for harsh marine environments. This paper presents an initial study on the mechanical characterization of polymeric additive manufacturing materials and the degradation effects of marine environments. Ultem 9085, acrylonitrile styrene acrylate, and chopped carbon-filled nylon, as well as continuous carbon and glass fiber-reinforced nylon were chosen for this study. Samples were manufactured to perform a variety of tension, shear, and compression mechanical characterization tests on the materials. Half of the samples were conditioned in Pacific Ocean water for approximately 6 months at Pacific Northwest National Laboratory's Marine Sciences Laboratory before being returned for mechanical characterization. The mechanical testing results showed that the Ultem 9085 and acrylonitrile styrene acrylate materials experienced little to no degradation in stiffness or strength after exposure to the marine environment. On the other hand, the nylon-based materials suffered significant stiffness and strength degradation (over 50% in some cases) after environmental conditioning. Ultimately, these data sets should serve as starting points to allow marine renewable energy developers to make informed additive manufacturing material choices for their prototype deployments.

additive manufacturing↗

Investigating Marine Environmental Degradation of Additive Manufacturing Materials for Renewable Energy Applications

Marine renewable energy is a relatively young industry where there is a great need for rapid prototyping in design-build-test campaigns to quickly mature groundbreaking technologies. Additive manufacturing has an important role to play in the industry; however, little information is available to marine energy developers to help inform them on which additive manufacturing materials are appropriate for highly loaded structures in harsh marine environments. This paper presents an initial study on the mechanical characterization of polymeric additive manufacturing materials and the degradation effects due to the marine environment. Ultem 9085, acrylonitrile styrene acrylate, and chopped carbon-filled nylon, as well as continuous carbon and glass fiber-reinforced nylon were chosen for this study. Samples were manufactured to perform a variety of tension, shear, and compression mechanical characterization tests on the materials. Half of the samples were conditioned in Pacific Ocean water for approximately 6 months at the Pacific Northwest National Laboratory's Marine and Coastal Research Laboratory before being returned for mechanical characterization. The mechanical testing results showed that the Ultem 9085 and acrylonitrile styrene acrylate materials experienced little to no degradation in stiffness or strength after exposure to the marine environment. On the other hand, the nylon-based materials suffered significant stiffness and strength degradation (over 50% in some cases) after environmental conditioning. Ultimately, these data sets should serve as starting points to allow marine renewable energy developers to make informed additive manufacturing material choices for their prototype deployments.

additive manufacturing↗

Characterizing the Mechanical Response of the Saturn Accelerator

The Saturn Particle Accelerator is a hot X-ray source used by the NNSA for creating conditions similar to that of a nuclear weapon. When Saturn fires some of it's energy is released in the form of mechanical shock and vibration. This mechanical output has not been characterized or understood, making design of components and diagnostics more difficult. Thus it will be helpful to understand this mechanical shock. This poster presents the beginnings of a project to do just that.

Cuneo, Nicolas Francis [Sandia National Laboratori↗

Investigating Marine Environmental Degradation Of Additive Manufacturing Materials For Renewable Energy Applications

Marine renewable energy is a relatively young industry where there is a great need for rapid prototyping in design-build-test campaigns to quickly mature ground-breaking technologies. Additive manufacturing has an important role to play in the industry; however, little information is available to marine energy developers to help inform them on which additive manufacturing materials are appropriate for harsh marine environments. This paper presents an initial study on the mechanical characterization of polymeric additive manufacturing materials and degradation effects due to the marine environment. Ultem 9085, acrylonitrile styrene acrylate (ASA), and chopped carbon-filled Nylon, as well as continuous carbon and glass fiber reinforced Nylon were chosen for this study. Samples were manufactured to perform a variety of tension, shear, and compression mechanical characterization tests on the materials. Half of the samples were conditioned in Pacific Ocean water for approximately 6 months at the Pacific Northwest National Laboratory’s Marine and Coastal Research Laboratory before being returned for mechanical characterization. The mechanical testing results showed that the Ultem 9085 and ASA materials experienced little to no degradation in stiffness or strength after exposure to the marine environment. On the other hand, the Nylon-based materials suffered significant stiffness and strength degradation (over 50% in some cases) after environmental conditioning. Ultimately, these results should serve as starting points to allow marine renewable energy developers to make informed additive manufacturing material choices for their prototype deployments.

Murdy, Paul↗

Polymer Additive Manufacturing for Marine Renewable Energy Applications: Best Practices, Research Trends, and Current Challenges

Additive manufacturing (AM) is a rapidly growing technology space, not only for prototyping, but is also becoming more feasible at larger scales and increasing component quantities. There are a large variety of AM processes and materials available to users and effectively applying those processes and materials to a specific use case can be challenging. One specific area where AM could be particularly beneficial is marine renewable energy (MRE). Not only is MRE a relatively nascent industry with a near-term need for rapid deployments and prototype testing, but developers could also see long-term benefits from the broad variety of environmentally resistant materials available and the ability to manufacture complex geometries that AM technologies offer. Over the past 4 years, AM materials have played an increasing role in the Advanced Materials project; a multi-year, multi-laboratory research project funded by the U.S. Department of Energy's Water Power Technologies Office, with the main goal of reducing barriers to the adoption of complex materials in the MRE industry. The primary focus of this project is to develop test methods and generate datasets to understand the long-term performance of advanced materials in marine environmental and address specific material challenges as they arise. This report provides an extensive overview of the research that has been performed specific to AM polymers as part of the Advanced Materials project. The intention of this document is to provide recommendations of best practices with regards to material selection, mechanical test method development, and design practices, lessons learned along the way, current research trends, and ongoing challenges with regards to AM polymers in marine environments. In particular, this report focuses on several key aspects: Material and process selection, Environmental conditioning and subsequent degradation quantification through mechanical characterization, Composite reinforcements on AM polymer substrates, Adhesion of instrumentation for mechanical characterization and loads measurements, Protective coatings for preventing biofouling and water ingress, Other MRE case studies where AM has proved particularly useful. Ultimately, we hope that the test methods that have been developed, data generated, and lessons learned from this research will be valuable to the MRE community (researchers and developers alike), as well as other industries, and can be used as a reference point as the respective MRE and AM industries continue to grow and mature.

16 TIDAL AND WAVE POWER↗

Interparticle Characterization of Mechanical Biomass Particle-Particle and Particle-Wall Interactions

The biomass materials industry faces significant challenges in managing material variability and its impact on storage and handling systems. Physical properties such as moisture content, particle size, and density fluctuate considerably, leading to operational issues like bridging and ratholing that disrupt material flow. These variations create a complex cascade effect throughout the process chain, affecting transportation, storage, and conversion processes. The economic consequences of this variability manifest in increased operational costs, maintenance requirements, and system downtime. Environmental factors further complicate the situation, as weather conditions and seasonal availability influence material properties and system performance. Engineers employ specialized equipment design, material characterization protocols, and pre-processing steps like size reduction and homogenization to address these challenges. A critical knowledge gap exists between continuous-level constitutive models and particle-scale behavior. This project developed a novel device to quantify interparticle mechanics between biomass particles, measuring friction and adhesion forces between particles and wall materials. The research focused on corn stover and southern pine forest residue, creating a comprehensive database of particle interactions. This breakthrough enables direct application in particle-based computational modeling, advancing the field's understanding of biomass handling characteristics and supporting the development of more reliable and efficient storage and handling systems. The project's outcomes contribute significantly to understanding biomass's mechanical and flow characteristics, particularly how variability at the particle level affects larger-scale handling operations. This knowledge is crucial for engineering feedstock supply systems that consistently meet quality and cost specifications for various conversion processes. The innovative experimental setup developed through this research represents a significant advancement in biomass characterization methodology. Providing precise measurements of particle-level interactions establishes a foundation for more accurate predictive modeling of bulk material behavior. This enhanced understanding of fundamental particle mechanics enables engineers to anticipate better and address handling challenges before they manifest in full-scale operations. This research opens new avenues for optimizing biomass handling systems through data-driven design approaches. The comprehensive database of particle interactions serves as a valuable resource for future research and development efforts, potentially leading to more efficient and cost-effective biomass processing solutions. This advancement in particle-level mechanics could revolutionize how biomass handling systems are designed and operated, contributing to more sustainable and reliable renewable energy production.

09 BIOMASS FUELS↗