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At least 181 records · Page 10

Bicontinuous nanoporous design induced homogenization of strain localization in metallic glasses

Bicontinuous nanoporous metallic glasses (MG) synergize the outstanding properties of MGs and open-cell nanoporous materials. The low-density and high-specific-surface-area of bicontinuous nanoporous structures have the potential to enhance the applicability of MGs in catalysis, sensors, and lightweight structural designs. In this work, we report molecular dynamics simulations of tensile loading deformation and failure of bicontinuous nanoporous Cu 64 Zr 36 MG with 55% porosity and 4.4 nm ligament size. Results indicate an anomalous mechanical behavior featuring delocalized plastic deformation preceding ductile failure. The deformation follows two mechanisms: i) Necking of ligaments aligned with the loading direction and ii) progressive alignment of randomly oriented ligaments. Failure occurs at 0.16 strain, following massive rupture of ligaments. This work indicates that a bicontinuous nanoporous design is able to effectively delocalize strain localization in a MG due to a combination of size effect on the ductility of MGs resulting in nano ligaments necking and progressive asynchronous alignment of ligaments.

36 MATERIALS SCIENCE↗

Decision-Making Under Uncertainty for a Digital Thread-Enabled Design Process

Abstract Digital thread is a data-driven architecture that links together information from all stages of the product lifecycle. Despite increasing application in manufacturing, maintenance/operations, and design related tasks, a principled formulation of analyzing the decision-making problem under uncertainty for the digital thread remains absent. The contribution of this article is to present a formulation using Bayesian statistics and decision theory. First, we address how uncertainty propagates in the product lifecycle and how the digital thread evolves based on the decisions we make and the data we collect. By using these mechanics, we explore designing over multiple product generations or iterations and provide an algorithm to solve the underlying multistage decision problem. We illustrate our method on an example structural design problem where our method can quantify and optimize different types and sequences of decisions, ranging from experimentation, manufacturing, and sensor placement/selection, to minimize total accrued costs.

Engineering↗

Multi-layer anodes for high-current applications

In this work, we present a combination of experiments and modeling of a two-layer anode structure designed by EnPower Inc. for high-energy and fast-charge capabilities. The anode consists of lower porosity near the current collector and higher porosity near the separator with comparable active materials in both regions. A pseudo-two-dimensional electrochemical–thermal model was designed to represent the performance of this electrode. Simulations, consistent with experiments, show superior ion transport and lithiation in the multi-layer anode (MLA) compared to a conventional single-layer anode (SLA). Surprisingly, this improved transport in MLA manifests as enhanced cathode performance during high-rate discharge and this, in turn, provides higher energy density for MLA. Similarly, during fast charge, less irreversible lithium is deposited due to this improved transport in MLA, and hence MLA exhibits less capacity fade compared to SLA. Polarization analysis demonstrates marginally lower cumulative overpotential for MLA in different case studies; however, MLA cells maintain a significantly higher capacity in the same conditions and have more than double the cycle life. Further, this means despite the apparently limited polarization benefit provided by MLA; the MLA structure can more reliably be employed in cell designs. Additional design changes are also analyzed by means of the model.

25 ENERGY STORAGE↗

Engineering efficient bifunctional electrocatalysts for rechargeable zinc–air batteries by confining Fe–Co–Ni nanoalloys in nitrogen-doped carbon nanotube@nanosheet frameworks

Developing precious-metal-free bifunctional oxygen reduction and evolution reaction (ORR/OER) electrocatalysts is of great significance for several key energy conversion and storage systems, yet remains a formidable challenge. In this work, we systematically designed Fe–Co–Ni trimetallic nanoalloys encapsulated in nitrogen-doped carbon nanotube@nanosheet frameworks (FeCoNi-NC) for application as effective bifunctional ORR/OER electrocatalysts. The rational structural design of FeCoNi-NC provides hierarchical porosity coupled with greatly increased effective electrochemical specific area for exposing abundant active sites and enhanced mass-transfer capability toward the ORR/OER. Experimental observations and theoretical calculations confirmed that Fe–Co–Ni nanoalloys interacting with pyridinic nitrogen-rich carbon synergistically optimized the adsorption/desorption free energies of oxygen intermediates, thus significantly enhancing the intrinsic ORR/OER activity. Consequently, FeCoNi-NC exhibits remarkable bifunctionality for the ORR (half-wave potential of 0.89 V) and OER (1.54 V at 10 mA cm –2 ) with ΔE = 0.65 V, and even outperforms Pt/C–RuO 2 benchmarks. Moreover, the corresponding zinc–air battery shows large power density (315.2 mW cm –2 ), high capacity (803.78 mA h g –1 at 100 mA cm –2 ) and excellent cycling durability (over 100 hours at 50 mA cm –2 ), further testifying its practical applications. This work demonstrates an effective pathway to highly active non-precious-metal bifunctional catalysts toward sustainable energy technologies.

25 ENERGY STORAGE↗

Unveiling the ambipolar carrier transport property of SnO 2–X for multiple-functional interlayers in perovskite solar cells

Tin oxides are the most promising electron transport layers in perovskite solar cells. An ambipolar carrier transport property has been recently demonstrated which enables a simple interconnection structure for all-perovskite tandem solar cells. However, the underlying mechanism for its ambipolar behavior is unclear which cannot be explained by the intrinsic defects in SnO 2-x . Here by using density functional theory calculations, we unveil the origin of the ambipolar carrier transport of non-stoichiometry SnO 2-x with a structure of SnO embedded in SnO 2 matrix. The hybridization of O 2p and Sn 5s orbitals of SnO introduces mid-gap states in the bandgap of SnO 2 , enabling hole transport property for SnO 2-x when x is > 0.2. Increasing the percentage of SnO in SnO 2-x significantly enhances the hole transport capability of SnO 2-x due to the enlarged Sn-O-Sn angles that increases orbital overlapping between O and Sn atoms, thus providing strategies for the further tuning of the carrier transport properties of SnO 2-x by compositional and structural designs.

14 SOLAR ENERGY↗

Modeling and implementation of vertical excursion FFA in the Zgoubi ray-tracing code

Vertical Fixed Field Accelerators (vFFAs) feature complex and highly non-linear magnetic fields, which require simulation codes allowing step-wise particle tracking. Methods to model the 3D magnetic field of scaling vFFAs have been developed in the ray-tracing code Zgoubi. The field modeling and particle tracking methods include the field non-linearities, the fringe fields, and the field superposition of neighboring magnets. The procedure implements the vFFA analytical field expressions, allowing design studies and parameter optimizations using the Zgoubi built-in fit method. The vFFA procedure has been applied to a ten-fold symmetry ring with a triplet focusing structure designed to accelerate protons from 3 MeV to 12 MeV and studied under the ISIS-II proton driver prototype project. Results from particle tracking in externally generated 3D semi-analytical field maps and the developed vFFA analytical model are shown to be in excellent agreement.

43 PARTICLE ACCELERATORS↗

Electro-mechanical Modeling of Wind Turbine and Energy Storage Systems with Enhanced Inertial Response

In this paper, a coordinated control scheme for wind turbine generator (WTG) and supercapacitor energy storage system (ESS) is proposed for temporary frequency supports. Inertial control is designed by using generator torque limit considering the security of WTG system, while ESS releases its energy to compensate the sudden active power deficit during the recovery process of turbine rotor. WTG is modeled using the fatigue, aerodynamic, structure, turbulence (FAST) code, which identifies the mechanical loadings of the turbine and addresses electro-mechanical interactions in the wind energy system. A damping controller is augmented to the inertial control to suppress severe mechanical oscillations in the shaft and tower of the turbine during frequency supports. Furthermore, the result of small-signal stability analysis shows that the WTG-ESS tends to improve the stability of the whole multi-energy power grid. The major contributions of this paper will be validated by utilizing the proposed control method that combines the grid support capability and maintaining the integrity of structural design of the turbine for normal operations.

17 WIND ENERGY↗

Superior Capacitive Energy-Storage Performance in Pb-Free Relaxors with a Simple Chemical Composition

Chemical design of lead-free relaxors with simultaneously high energy density (W rec ) and high efficiency (η) for capacitive energy-storage has been a big challenge for advanced electronic systems. The current situation indicates that realizing such superior energy-storage properties requires highly complex chemical components. Herein, we demonstrate that, via local structure design, an ultrahigh W rec of 10.1 J/cm 3 , concurrent with a high η of 90%, as well as excellent thermal and frequency stabilities can be achieved in a relaxor with a very simple chemical composition. By introducing 6s 2 lone pair stereochemical active Bi into the classical BaTiO 3 ferroelectric to generate a mismatch between A- and B-site polar displacements, a relaxor state with strong local polar fluctuations can be formed. Through advanced atomic-resolution displacement mapping and 3D reconstructing the nanoscale structure from neutron/X-ray total scattering, it is revealed that the localized Bi enhances the polar length largely at several perovskite unit cells and disrupts the long-range coherent Ti polar displacements, resulting in a slush-like structure with extremely small size polar clusters and strong local polar fluctuations. This favorable relaxor state exhibits substantially enhanced polarization, and minimized hysteresis at a high breakdown strength. This work offers a feasible avenue to chemically design new relaxors with a simple composition for high-performance capacitive energy-storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Additive manufacturing of continuous carbon fiber-reinforced SiC ceramic composite with multiple fiber bundles by an extrusion-based technique

Due to the high cost, complex preparation process and difficulty in structural design, the traditional methods for carbon fiber-reinforced SiC ceramic composite preparation have great limitations. This paper presents a technique for the additive manufacturing multiple continuous carbon fiber bundle-reinforced SiC ceramic composite with core-shell structure using an extrusion-based technique. A conventional nozzle system was modified to print simultaneously a water-based SiC paste with continuous carbon fibers. Different levels of binder contents were investigated to optimize the stickiness, viscosity, thixotropy and viscoelasticity of the paste. After sintering, SiC whiskers were generated on the surface of fiber, which is conjectured to be due to the reaction between SiO and carbon fiber at high temperature. The continuous carbon fiber-reinforced SiC ceramic composite exhibited non-brittle fracture. In conclusion, the flexural strength of the additively manufactured Cf/SiC composites improved from 162 MPa with no fiber bundles to a maximum of 219 MPa with three fiber bundles.

36 MATERIALS SCIENCE↗

Insights into the Effect of Heat Treatment and Carbon Coating on the Electrochemical Behaviors of SiO Anodes for Li-Ion Batteries

The use of SiO as an anode material has attracted significant interest due to its high capacity and long cycling life. Many promising approaches, including structural design and carbon coating at high temperatures, effectively improve its intrinsic low electrical conductivity and poor Coulombic efficiency. However, the “heat treatment process-composition and microstructure-electrochemical properties” relationship of the SiO anode is not fundamentally understood. Here the structure and composition evolution in amorphous SiO and graphene-coated SiO is investigated using different heat-treatment conditions. X-ray absorption near-edge structure techniques are also employed to analyze the surface and bulk composition change during the initial lithiation process, supplemented by physical or chemical characterization and electrochemical testing. Here results reveal the structural transition of SiO during heat treatment, from amorphous to disproportionated hierarchical structure, where the as-formed dielectric exterior SiO 2 shell and interior SiO 2 matrix severely polarizes electrodes, hindering the lithiation process. Carbon coating on SiO effectively restricts the growth of the SiO 2 shell and facilitates charge transfer, leading to improved electrochemical performance. A schematic model is proposed to reveal the relationship between the treatments, the resultant structural evolutions, and corresponding electrochemical behaviors.

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↗

Electrothermally Driven Reconfiguration of Microrobotic Beam Structures for the ChipSail System

Solar sailing enables efficient propellant-free attitude adjustment and orbital maneuvers of solar sail spacecraft with high area-to-mass ratios. However, the heavy supporting mass for large solar sails inevitably leads to low area-to-mass ratios. Inspired by chip-scale satellites, a chip-scale solar sail system named ChipSail, consisting of microrobotic solar sails and a chip-scale satellite, was proposed in this work. The structural design and reconfigurable mechanisms of an electrothermally driven microrobotic solar sail made of Al\Ni 50 Ti 50 bilayer beams were introduced, and the theoretical model of its electro-thermo-mechanical behaviors was established. The analytical solutions to the out-of-plane deformation of the solar sail structure appeared to be in good agreement with the finite element analysis (FEA) results. A representative prototype of such solar sail structures was fabricated on silicon wafers using surface and bulk microfabrication, followed by an in-situ experiment of its reconfigurable property under controlled electrothermal actuation. The experimental results demonstrated significant electro-thermo-mechanical deformation of such microrobotic bilayer solar sails, showing great potential in the development of the ChipSail system. Analytical solutions to the electro-thermo-mechanical model, as well as the fabrication process and characterization techniques, provided a rapid performance evaluation and optimization of such microrobotic bilayer solar sails for the ChipSail.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The Toughness of Interlocking Metasurfaces

Interlocking metasurfaces (ILMs) are arrays of autogenous latching unit cells patterned across a surface. These create structural joints similar to bioinspired suture joints but patterned over a 2D surface rather than a 1D seam. This enables ILMs to be an alternative to conventional joining technologies such as bolts, welds, and adhesives. However, compared to conventional joining methods, relatively little is known of the engineering considerations for designing structural ILMs. Herein, the interfacial toughness of an archetypal ILM is examined for the first time. Under the conditions studied here, the ILM is substantially tougher than the material from which it is made, in this case, exhibiting up to a 50% increase in interfacial crack initiation energy over the solid base material, a photocured 3D‐printed polymer. Through experimental tests using in‐situ digital image correlation along with complementary computational analyses, the mechanism of toughening in the ILM structure and the origins of toughness anisotropy are revealed. The increase in toughness is associated with cross‐cell interactions, that is, load‐sharing across unit cells, which give rise to a finite process zone length with different effective material properties. In this way, ILM toughening is analogous to crack blunting in ductile materials or fiber bridging in composites; yet here, the ILM is composed of a single‐phase base material and so the architected toughening is geometric in nature and hence amenable to future topological optimization.

fracture↗

Feature Extraction for Pipeline Defects Inspection Based Upon Distributed Acoustic Fiber Optic Sensing Data

Fiber-optic distributed acoustic sensing (DAS) is becoming an increasingly important tool for real-time monitoring of energy and civil infrastructure structural health such as pipelines. We present a systematic theoretical study of the potential for DAS to be directly coupled with guided ultrasonic waves typically used in conventional acoustic non-destructive evaluation (NDE) methods for real-time pipeline health monitoring. We are referring to this innovative new NDE technique as ultrasonic guided wave and optical fiber sensor fusion. In the practical application of DAS coupled with guided ultrasonic waves, the structural design of (1) the specific guided waves excited, (2) the physical installation of the acoustic transducers and the fiber optic sensors, and (3) the functional performance specifications (gauge length, sensitivity, Etc.) of fiber optic DAS have an important influence on overall capabilities of the monitoring system. Meanwhile, physics-based analysis of acoustic waves is still a challenge due to the complex nature of the Lamb wave when it propagates, scatters, and disperses in the presence of structural defects. In this work, we simulate carbon steel pipes relevant for oil and gas pipeline applications with diameters of approximately 6-12” and wall thickness of 0.5” as the objects to be monitored. By establishing and implementing these capabilities, we seek to pursue an in-depth study on structural parameter optimization of DAS network, measurement range, and signal processing with an ultimate goal of increasing the sensitivity and efficacy of DAS to defect identification for various modes of corrosion expected in practice. To study the characteristics of scattered acoustic waves and performance of DAS for defect identification, we simulated the response of DAS for multiple pipe structures, defect types, and DAS sensor network configuration using finite element software Ansys, then the properties of signal response are extracted to construct defect-sensitive features. The raw data simulated, and the associated features extracted can ultimately be utilized as annotated training data to benchmark various designs for DAS applications, guided acoustic excitation sources, and learning model parameters to enhance early detection of potentially problematic defects.

Pipeline Defects Inspection, Fiber-optic sensors, ↗

Programmable exploration of magnetic states in Lieb-kagome interpolated lattices

We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. Here, the goal is to show how a quantum annealer can operate as a physically instantiated, programmable platform to emulate experimentally relevant lattice deformations and produce observables in a manner analogous to an experimental measurement, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach offers a pathway to explore and iteratively design tunable magnetic states in synthetic materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered matter across chemistry, condensed matter, and quantum information science.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Operating High-Energy Lithium-Metal Pouch Cells with Reduced Stack Pressure Through a Rational Lithium-Host Design

Transitioning from a liquid electrolyte to an inorganic solid electrolyte offers a potential pathway to enable highly reversible lithium-metal anodes. However, the solid-electrolyte-protected lithium-metal anode suffers from poor interfacial ionic contacts and requires an impractically high stack pressure (>1.0 MPa) to maintain the interfacial contacts. It is demonstrated here that combining a hollow silver/carbon fiber scaffold and an inorganic/organic composite electrolyte enables a highly reversible lithium-metal anode. Since the high surface area of the electrode provides intimate contact and the hollow structure of the electrode relieves the lithium plating-induced stress, the electrode/electrolyte interface remains stable during cycling even under mild stack pressure. This unconventional structural design is validated in practical pouch cells assembled with the 3D lithium host containing a onefold excess of lithium and a high-nickel cathode. At a mild stack pressure of 320 kPa, the pouch cell displays 83% capacity retention for 200 cycles. This work illustrates that combining a hollow electrode architecture and a robust solid electrolyte offers a practical pathway toward rechargeable lithium-metal anodes.

36 MATERIALS SCIENCE↗

ASSESSMENT OF HIGH-VOLUME HARVESTED FLY ASH BLENDS FOR USE IN PRECAST CONSTRUCTION

Declining supplies of fresh fly ashes in some regions have further driven the importance of using harvested fly ash as a supplementary cementitious material and thus replacement for more energy-intensive ordinary Portland cement (OPC). Higher replacement rates of OPC with fly ash in general has traditionally been limited in precast operations due to stringent early-age strength requirements necessitated by initial prestress and lifting/handling of hardened components – often well within 24 hours after fresh concrete placement. Therefore, a series of mix designs were developed, as part of a larger framework for reassessing high-volume fly ash (HVFA) use in the context of precast construction, to demonstrate the feasibility of using larger fractions of harvested fly ash in concrete formulations suitable for precast fabrication demands. More specifically, a target minimum 24-hour compressive strength of 24.1 MPa (3500 psi) was set, in accordance with conventional precast structural design checks, while increasing the fly ash content to 40% replacement of OPC – at least a 15% increase above the traditional limit of 25%. The effect of using more sustainable Type IL cement in contrast to conventional Type III Portland cement (the traditional standard for precast use) – both in conjunction with HVFA use – was also examined. Early-age mechanical properties including compressive strength, modulus of rupture, and modulus of elasticity were evaluated within the aforementioned early-age window. Lastly, corresponding design equations were then reassessed for their applicability with respect to the high-early strength HVFA mixes examined herein.

Gombeda, Matthew J.↗

Aeroelastic Modelling of Large Wind Turbines: Towards a Unified OpenFAST-SEAHOWL Approach

In recent years, the scale of wind turbines has significantly increased to maximize energy capture for a given site (particularly offshore), presenting new challenges in terms of structural design and dynamics. As towers grow taller and blades grow longer, flexion and torsion of the latter have a non-negligible impact on the behavior and performance of the turbine in terms of overall loads, power production, and control. When representing large-scale wind turbines numerically to capture these important effects, particular attention must therefore be given to the level of fidelity for representing each structural component, as well as the coupling scheme used between them to keep simulations accurate, stable, and efficient. To address this issue, we combine here the two following tools: (1) OpenFAST, the reference whole-turbine simulation tool from NREL with standalone modules covering each physics and the choice between loose coupling and a new tight coupling scheme for structural dynamics, and (2) SEAHOWL, the whole-turbine simulation tool from TotalEnergies with monolithic coupling of structural dynamics through Project Chrono and partitioned coupling for multiphysics interactions.

17 WIND ENERGY↗