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At least 37 records · Page 2

HYBRID COMPOSITES VIA CO-EXTRUSION ADDITIVE MANUFACTURING-COMPRESSION MOLDING FOR PERFORMANCE OPTIMIZATION

The growing demand for hybrid polymer composites with multifunctional properties has led to the development of various hybridization techniques, such as multi-material compounding and controlled laminate stacking sequence. In this study, a novel hybrid manufacturing approach was used by integrating a multiplexing extrusion system (MExS) based on additive manufacturing with subsequent compression molding process. This technique enabled the co-extrusion of different materials during the additive manufacturing process to fabricate composites with tailored performance. The developed hybrid composite featured a skin layer of glass fiberreinforced polycarbonate (PC/GF) encapsulating a carbon fiber-reinforced acrylonitrile butadiene styrene (CF/ABS) core. The structure was engineered to promote improved thermal and impact resistance at the surface, supported by a stiff core for enhanced overall mechanical integrity. Mechanical, thermal and morphological properties of the hybrid composites were investigated to understand trade-offs in performance compared to a single-material system. The results demonstrate that this approach enables the production of multifunctional composites suitable for applications such as automotive body panels and protective housings, where a balance of weight, mechanical strength, and thermal performance is essential.

Wasti, Sanjita [ORNL]

Altermagnetic polar metallic phase in ultrathin epitaxially strained RuO 2 films

Altermagnetism refers to a wide class of magnetic orders featuring magnetic sublattices with opposite spins related by rotational symmetries, resulting in nontrivial spin splitting and magnetic multipoles. However, the direct observation of the altermagnetic transition remains elusive. Here, by combining theoretical analysis, electrical transport, X-ray, and optical spectroscopies, we establish a phase diagram in hybrid molecular beam epitaxy-grown RuO 2 /TiO 2 (110) films, mapping symmetries along with altermagnetic/electronic/structural phase transitions as functions of film thickness and temperature. This features an altermagnetic metallic polar phase in epitaxially strained 2 nm films, suggesting a potential link between polar metals and altermagnetic materials. Such a clear signature of a magnetic phase transition at ~500 K is observed exclusively in ultrathin strained films, unlike in bulk RuO 2 single crystals. These results highlight the power of epitaxial heterostructure engineering to induce altermagnetism in systems initially nonmagnetic, opening avenues for realizing emergent quantum phases with multifunctional properties.

RuO2 thin film

A Generic and Multifunctional Electromagnetic Transient Model for Grid-Following Inverters

This paper presents a generic and multifunctional electromagnetic transient (EMT) dynamic model of grid-following (GFL) inverter-based resources (IBRs) using the PSCAD software platform. The features of the model include flexibility in selecting various types and combinations of DC sources covering photovoltaic modules, battery modules, and ideal DC-source modules as well as flexibility in selecting either switching or averaged models of the inverter. This model also covers exhaustive lists of controller algorithm, including open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control, and conventional current control designed in the dq-domain, the ..alpha....beta.. -domain, and the positive-/negative-sequence domain. Moreover, this model is equipped with flexibility in selecting various types of current-limiting schemes, including saturation-based and latching-based current limiters, and anti-windup protection. Also, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by complying with IEEE Std. 2800. The generality in the power circuits and the multifunctional options in the operation and control of the developed EMT model make it suitable for both academia and industry to study various power system aspects, including, but not limited to, the fault behavior of GFL IBRs, the impacts on the protection system, and the transient stability of a system interfaced with large numbers of GFL IBRs.

integrated circuit modeling

Medium-Entropy Engineering of Magnetism in Layered Antiferromagnet Cu x Ni 2(1- x ) Cr x P 2 S 6

Antiferromagnetic van der Waals-type M 2 P 2 X 6 compounds provide a versatile material platform for studying 2D magnetism and relevant phenomena. Establishing ferromagnetism in 2D materials is technologically valuable. Though magnetism is generally tunable via a chemical way, it is challenging to induce ferromagnetism with isovalent chalcogen and bimetallic substitutions in M 2 P 2 X 6 . Here, we report co-substitution of Cu 1+ and Cr 3+ for Ni 2+ in Ni 2 P 2 S 6 , creating Cu x Ni 2(1-x) Cr x P 2 S 6 medium-entropy alloys spanning a full substitution range (x = 0 to 1). Such substitution strategy leads to a unique evolution in crystal structure and magnetic phases that are distinct from traditional isovalent bimetallic doping, with Cu and Cr co-substitution enhancing ferromagnetic correlations and generating a weak ferromagnetic phase in intermediate compositions. This aliovalent substitution strategy offers a universal approach for tuning layered magnetism in antiferromagnetic systems, which along with the potential for light-matter interaction and high-temperature ferroelectricity, can enable multifunctional device applications.

2D magnetism

Enhancing NO Reduction by CO Over NiO/CeO 2 Catalyst by Optimizing the Metal Oxide–Support Interaction

Noble metal catalysts are widely used in three-way catalysts (TWCs) due to their high efficiency, but their scarcity and high cost drive the need for effective, low-cost alternatives. Here, in this work, a series of NiO/CeO 2 catalysts were engineered by modulating the OH content and crystallite size of the CeO 2 support. This approach yielded Ni species ranging from isolated single atoms to small clusters and larger aggregates, with varied NiO/CeO 2 interaction strengths. Evaluation of their performance in NO reduction by CO, CO oxidation, and the water–gas shift reaction revealed that the NiO/CeO 2 -300 catalyst, featuring small CeO 2 crystallites and highly dispersed NiO clusters, delivered superior activity for NO reduction and CO oxidation. It was demonstrated that small NiO clusters, due to their efficient CO adsorption and activation, were more active than Ni single atoms. Furthermore, the presence of water was found to influence the catalyst stability, with NiO clusters less stable than single atoms likely due to the hydroxylation effect leading to the formation of Ni(OH) 2 . Oxygen storage capacity measurements revealed that performance was governed by a combination of CeO 2 crystallite size and the abundance of NiO/CeO 2 interfaces. These findings demonstrated that the catalytic performance of Ni/CeO 2 systems could be maximized by optimizing the Ni nanostructure and its interaction with CeO 2 support, positioning them as a promising, multifunctional nonprecious alternative for three-way catalysis application.

36 MATERIALS SCIENCE

Stabilization of Miscible Aqueous Phases via Diffusion‐Controlled Multifunctional Nanoparticle‐Ligand Complexation

Liquid‐in‐liquid structuring by harnessing miscible aqueous domains can be achieved by inducing thermodynamically defined phase separation using aqueous solutions of incompatible solutes, where immiscibility is dictated by the concentrations of the solutes. For instance, in aqueous two‐phase systems (ATPSs), the interfacial tension between the two different aqueous solutions is so small that it stabilizes the phase‐separated domains, but not their shape, thus falling short of designing tunable, robust structures. Here, we introduce a diffusion‐controlled strategy that enables liquid‐in‐liquid compartmentalization absent a thermodynamically defined interface or bulk liquid‐liquid phase separation using a barrier formed in situ at the initial contact boundary of an aqueous dispersion of multifunctional nanoparticles and a solution of multifunctional ligands in pure water or a water/alcohol mixture. The nanoparticles and ligands are entropically driven to disperse uniformly but interact at the initial contact boundary more rapidly than bulk mixing, forming a layer that establishes a barrier akin to a semi‐permeable membrane and allows the formation of tubular compartments. A wealth of opportunities is enabled by the proposed technique, where examples in separations, soft electronic devices, and ultralight porous electromagnetic shielding materials are shown.

cryogels

Multifunctional Heat Pump with Energy Storage Capability

Replacing gas furnaces with heat pumps on a large scale can pose challenges to the electrical grid. It will significantly increase the demand, strain the electrical grid, especially during peak usage times. To ensure that heat pumps contribute to reducing emissions, it's essential to increase the share of renewable energy in the grid. However, the supply of renewable energy is unstable. Large scale of electrification must address the concern of grid resilience to meet necessary heating/cooling demands and shift peak electric load. All these require future heat pumps having energy storage capability. These systems can store excess energy during low-demand periods and release it during high-demand periods, reducing stress on the grid. This paper will introduce an innovative configuration, control, and laboratory investigations of a multifunctional packaged heat pump. In addition to the original indoor and outdoor air coils, the heat pump has a parallel hydronic loop with a brazed plate heat exchanger (BHP). The hydronic loop circulates hot/chilled water to store heating/cooling energy in phase change material (PCM). It is capable of space cooling, space heating, cooling energy storage/defrosting, water heating/heating energy storage with outdoor air source or indoor air source, and cooling/heating energy free discharge. The laboratory studies and breadboard unit are presented. Additionally, building energy simulation demonstrates utility cost reduction potential via charging PCM panels/ceilings during off-peak hours and releasing the energy during peak hours to mitigate the peak power consumption.

Shen, Bo

Covalent adaptable networks for electrolyte–binder integration in recyclable lithium metal batteries

Lithium-metal batteries (LMBs) are considered a promising next-generation energy storage technology due to their exceptionally high energy density. However, the development of solid polymer electrolytes and cathode binders for LMBs faces critical challenges, including interfacial instability, poor recyclability, and growing environmental concerns. In particular, current systems often rely on non-recyclable components featuring permanently crosslinked networks and polyfluoroalkyl substances (PFAS), such as poly(vinylidene fluoride) (PVDF), which cause battery waste and environmental harm. Herein, we introduce a multifunctional covalent adaptable network (CAN) platform based on thermally reversible Diels–Alder (DA) chemistry, designed for dual functionality as a CAN-based electrolyte (CAE) and a CAN-based cathode binder. The CAE achieves high ionic conductivity and strong storage modulus (1.4 mS cm −1 and ∼ 10 5 Pa at room temperature, respectively) and enables stable long-term cycling in symmetric Li||Li cells for over 2000 h with low overpotential. When it is applied as a cathode binder in LiFePO 4 (LFP) composite electrodes (C-LFP), the CAN matrix significantly reduces interfacial resistance and enhances discharge capacity compared to conventional PVDF-based systems. Thermal treatment induces self-healing at the cathode–electrolyte interface, further improving contact and yielding a discharge capacity of 150 mAh g −1 at 0.5 C. Moreover, the dynamic CAN architecture allows efficient recovery and reuse of lithium salts from spent electrolytes through retro-DA reactions under mild conditions (∼80 °C), establishing a low-energy, cost-effective recycling pathway. In conclusion, this work presents a scalable and sustainable strategy for high-performance LMBs by integrating recyclability, interfacial healing, and PFAS-free design, offering a holistic solution aligned with circular economy principles and next-generation battery demands.

Diels–Alder

Multifunctional nitrile additives for inducing pseudo-concentration gel-polymer electrolyte: Enabling stable high-voltage lithium metal batteries

High-voltage lithium metal batteries (LMBs) are promising for next-generation high-energy storage systems. Unfortunately, their implementation has been severely plagued by the interfacial instability between the high-voltage cathodes/lithium metal (LM) anodes and electrolytes. To tackle these challenges, a novel nitrile additive, 1,4-dicyanobenzene (DCB) (Synonyms: terephthalonitrile), is added to the in situ polymerized pentaerythritol tetraacrylate-based gel polymer electrolyte (GPE). The DCB additive, as demonstrated both theoretically and experimentally, plays a crucial role in altering the Li+ coordinated solvation structure within the GPE. This alteration leads to the formation of a pseudo-concentrated electrolyte with a tightly packed Li+ cluster, expanding the electrochemical stability window of the electrolyte. Moreover, the DCB-included GPE significantly improves its compatibility with both LM anode and high-voltage cathode, attributed to the modified solvation structure and the generated LiF-rich electrolyte/electrode interphases. Accordingly, the GPE enables stable cyclic performance of LMBs based on a 4.9 V LiNi 0.5 Mn 1.5 O 4 cathode at a low relative negative/positive ratio of 4, achieving a high reversible capacity of 123.8 mAh g -1 with a capacity retention of 87.7% over 500 cycles at 0.5 C. This work provides new insights into enhancing the cyclability of high-voltage LMBs via the synergistic effect of additives and GPE.

25 ENERGY STORAGE

Polymer-Grafted Nanoparticles as All-in-One Nanoplatforms

Polymer-grafted nanoparticles (PGNPs) represent a versatile class of hybrid nanomaterials, in which nanoparticle cores and tethered polymer coronas are integrated into structurally programmable building blocks. Rapid advances in nanoparticle surface functionalization and surface-initiated polymerization have enabled increasingly precise control over the nanoparticle core composition and brush architecture, greatly expanding the accessible structural and functional landscape of PGNPs. This review summarizes recent progress in the modular design and structural regulation of PGNPs, with an emphasis on nanoparticle platforms and associated surface functionalization strategies, polymer brush synthesis and architectural control, and the structure−property relationships that govern PGNP behavior. Emerging applications are further highlighted, including additive manufacturing, self-healing materials, membrane-based gas separations, and battery-related systems, where PGNPs provide unique opportunities to couple nanoscale interfacial design with macroscopic performance. Finally, future opportunities are discussed for extending PGNP concepts to increasingly complex, multifunctional, and application-oriented hybrid materials.

functional nanocomposites

Toward Fully Soft and Multifunctional Shape Sensing via Optical Waveguide Arrays

For soft bodies, surface deformation and pressure provide proprioceptive and exteroceptive information, including body configuration, body compliance, and external forces. We develop a sheet sensor with a fully soft sensing surface that provides surface shape reconstruction using optical waveguide arrays. The waveguides are fabricated to achieve a tunable linear response to bi‐directional bending curvature, and the waveguide arrays are configured to differentiate between ambiguous shapes. We characterize the waveguide performance, relating curvature sensitivity to the core's surface roughness. Synergy of waveguide responses reduces the number of sensing elements required and achieves damage resilience. Using waveguide sensitivity to pressure, we also demonstrate feasibility for exteroception. We demonstrate the multifunctional sensing capability by wrapping the sheet around an upper arm, showcasing joint motion and external force sensing. Integrated into or applied onto surfaces of robotic or living systems, this design can be implemented in applications such as virtual reality, teleoperation, physical therapy, and soft robotics.

Yu, Qifan [Department of Mechanical Engineering Ma

Smart Adaptive Structures for an Ocean Wave Energy Converter

Ocean wave energy converters face significant challenges including cost-effectiveness, minimizing maintenance requirements, and withstanding extreme conditions. However, by utilizing smart materials, these converters could overcome these challenges. Such energy harvesters could use dielectric elastomer generators to convert ocean wave energy into electricity through their dynamic straining. Conversely, by applying electricity to these generators, they become actuators - dielectric elastomer actuators - thereby enabling them to alter their stiffness and adapt to the ever-changing ocean energy environments. Such active adaptation could enhance the converter's ability to: reach resonance with ocean waves and protect itself from dangerous waves. This study utilizes numerical analyses through the COMSOL software framework to evaluate the potential energy that could be harvested by a conceptual ocean wave energy converter based upon dielectric elastomer generators/actuators. The converter is composed of an external hull (that is a hollow cylinder), an inertial mass (that is a hollow cylinder and concentric with the hull), and 'spokes' - made of dielectric elastomer generators/actuators - that connect the hull to the inertial mass. Results of the numerical analyses include those outcomes arising from the conceptual converter being simulated via a sinusoidal motion analogous to ocean waves. That motion, therefore, causes relative motion between the converter's hull and inertial mass thereby dynamically stretching the corresponding connecting elastomers. The stretching of the elastomers enables them to 'gain elastic strain energy' and is, therefore, considered to be the theoretical limit of possible electrical energy conversion for the dielectric elastomer generator/actuator spokes. Additionally, the elastomer material properties of the spokes were altered to simulate the actuation of those same elastomers; with overall strain energy being subsequently investigated. Ultimately this is a preliminary study exploring the ability of such smart materials - electricity-generating and self-actuating elastomers - to actively adapt an ocean wave energy converter's structure to address and overcome the aforementioned challenges.

active materials

Core-Shell Oxidative Aromatization Catalysts for Single Step Liquefaction of Distributed Shale Gas (Final Technical Report)

The objective of this project was to design and demonstrate a core-shell structured multifunctional catalyst to convert the light (dry) components of shale gas into liquid aromatic compounds (primarily benzene and toluene) in a single step. Operated in a modular oxidative aromatization system (OAS) under a cyclic redox scheme, the novel catalyst and process can significantly improve the value and transportability of distributed shale gas. Since the project started, each quarter addressed a different set of tasks related to the completion of the milestone detailed in the project award. The yearly summaries of these tasks are summarized below: Q1-Q4: • Conducted project planning and literature search. • Investigated a number of SHC redox catalysts using thermogravimetric analysis and fixed-bed reactor experiments. • Initiated process modeling towards generating two process models for the methane DHA base case and OAS process. • Developed DHA catalysts capable of producing >500 g/kg-cat-hr aromatics at 80% or greater aromatics selectivity at 700°C. Q5-Q8: • Developed alternative approaches with sequential bed configurations to enhance the aromatic yields based on OCM+DHA • Improved the zeolite synthesis efficiency by using the microwave-assisted technique and investigated the synthesis conditions on the zeolite yield, crystalline structure and morphology • Constructed a set of Aspen Plus process models with significant energy savings for OAS as compared to the base case non-oxidative DHA. • Adapted conventional hydrothermal method to be applicable to the microwave synthesizer unit for more efficient catalyst synthesis. • Studied the structure of the OCM catalyst and the dispersion of the carbonate in the redox reactions and in methane flow with Raman Spectroscopy. Q9-Q12: • Scaled up the catalyst synthesis with the microwave synthesis method. Based on its performance, procedural characterizations and catalytic performance testing were further conducted for the new microwave synthesized catalysts with the newly-developed product analysis procedure. • Developed the reaction system setup for the C2-DHA or OCM+DHA reaction product and achieved a better product collection-analysis method for the aromatic products with an improved carbon balance. The product from the OCM reaction exhibited complicated effects on the DHA catalyst. • Conducted additional OCM catalyst characterization using Near Ambient Pressure X-ray Photoelectron Spectroscopy and in situ Raman characterization • Validated the significant energy savings for OAS as compared to the base case non-oxidative DHA. Successfully set up the simulation model for the OCM+DHA+SHC reaction system based on the updated experimental results from NCSU. Q13-End of project: • Synthesized new zeolite catalysts by the microwave method, conducted characterizations (XRD, SEM, and TEM) and catalytic behavior testing. • Explored the “wet” C 2 H 6 and C 2 H 4 DHA reactions with using steam co-feed. A subsequent reduction as the regeneration step can regenerate the DHA catalyst and recover 99% activity of the fresh performance. • Achieved a 15.3% single-pass aromatic yield from methane by rationally combining the OCM and DHA at different temperatures. • Conducted a 105-hour stability test with an improved regeneration procedure, with an average aromatic yield of 13.8%. • Developed new catalyst and achieved a record-high 23.2% yield.

03 NATURAL GAS

Self-Assembled TiN-Metal Nanocomposites Integrated on Flexible Mica Substrates towards Flexible Devices

The integration of nanocomposite thin films with combined multifunctionalities on flexible substrates is desired for flexible device design and applications. For example, combined plasmonic and magnetic properties could lead to unique optical switchable magnetic devices and sensors. In this work, a multiphase TiN-Au-Ni nanocomposite system with core–shell-like Au-Ni nanopillars embedded in a TiN matrix has been demonstrated on flexible mica substrates. The three-phase nanocomposite film has been compared with its single metal nanocomposite counterparts, i.e., TiN-Au and TiN-Ni. Magnetic measurement results suggest that both TiN-Au-Ni/mica and TiN-Ni/mica present room-temperature ferromagnetic property. Tunable plasmonic property has been achieved by varying the metallic component of the nanocomposite films. The cyclic bending test was performed to verify the property reliability of the flexible nanocomposite thin films upon bending. This work opens a new path for integrating complex nitride-based nanocomposite designs on mica towards multifunctional flexible nanodevice applications.

42 ENGINEERING

Binder-Free Graphite Anodes for Next-Generation High-Performance Lithium-Ion Batteries

High-energy density anodes are crucial for next-generation lithium-ion batteries (LIBs) particularly for electric vehicle (EV) applications. Sluggish lithium-diffusion kinetics coupled with conventional anode fabrication processes containing polymeric binders hinder fast-charging capabilities and high-energy density of graphite. Herein, we introduce a binder-free graphite anode fabrication strategy using the electrospinning technique that contains ~2.41% carbon nanotubes (CNTs). Our strategy relies on the formation of an interconnecting conductive CNT network coupled with an ultrathin N-doped carbon coating on graphite particles from sacrificial binders. This combination enhances both structural integrity and electrical conductivity and, in turn, improves fast-charging capabilities and high energy density of LIBs. The binder-free graphite anode achieves ~335.0 mAh g–1 capacity at C/3 rate over 400 cycles with capacity retention of >95% and average Coulombic efficiencies >99.95%. These promising results suggest that the binder-free anode fabrication with a multifunctional design approach could elevate the energy-density limits of the graphite anodes, solving high-energy density requirements of EVs, and potentially provides a path forward for the development of economically feasible energy storage systems for various applications.

Ozcan, Muca [ORNL] (ORCID:0000000320020474)

Corrosion resistant hot melt adhesive to bind metals

Hot melt adhesives (HMAs) play an important role in many industries, and their demand is expected to grow. HMAs don't require any solvents, and their application results in the formation of strong bonds with the substrate upon cooling within seconds. These properties differentiate them from liquid glues and make them preferable for practical application. Currently, commercial HMAs are used in bonding lightweight materials such as paper, polymers, and cartons, and have limited usage in areas necessitating the bonding of heavier objects like metals. Here, in this study, we report a design and testing of versatile platform comprising an ion-coordinating polymer and ionic fillers for performance optimization and understanding of structure–property relationships, enabling the rational design of HMAs with improved adhesion to metal surfaces. All-atom Molecular dynamics (MD) simulations and various characterization methods are used to elucidate the adhesion mechanism in model composite system containing polyethylene oxide mixed with chemically diverse salt particles. The maximum adhesion strength is found in composites with Al(OH) 3 and FeCl 3 fillers. Interestingly, the presence of Al(OH) 3 also provides a multifunctional anticorrosion property as measured electrochemically using the Tafel method. The discovered path to formulations with improved adhesion to metal surfaces constitutes an important step toward advancing HMAs for use in the structural and semi-structural metal work domain.

Adhesive and cohesive forces

Enhancing EV Charging Station Resilience with Multifunctional Converter Leg Integration

In this paper, a multifunctional converter leg is integrated into an EV charger’s power circuit to enhance EV charging station resilience under power electronics converter device faults and grid outages. In the event of a device fault, it substitutes the failed converter leg, maintaining operation. During a grid outage, it assists the system as a fourth leg to the front-end converter, enabling grid-forming capability to supply power to the charging station critical loads while allowing limited power vehicle charging. The proposed approach’s effectiveness under both front-end power converter device faults and grid outage scenarios are validated through simulation and controller hardware-in-the-loop results.

Pereira Pinto, Joao [ORNL]

Photothermal Properties of Nanostructured Black Titanium Dioxide for Targeted Cellular and Microbial Elimination

Heterophase black titanium dioxide (hB-TiO 2 ), characterized by broadened near-infrared (NIR) absorption, has emerged as a promising photothermally active nanomaterial. This study focused on the synthesis of nanoscale hB-TiO 2 and its evaluation as a multifunctional agent for photothermal therapy (PTT). The purity and composition of the mixed-phase nanoscale hB-TiO 2 were demonstrated by X-ray diffraction, and the morphology of nanoparticles was imaged by transmission electron microscopy. Extensive additional characterization was conducted to validate the optoelectronic properties. The material was further evaluated in biological systems using NIH 3T3-GFP fibroblasts and the fungus Candida albicans. Nanoscale hB-TiO 2 exhibited good biocompatibility in the absence of laser irradiation and effectively ablated both NIH 3T3-GFP cells and C. albicans following 20 min of laser exposure. This noninvasive treatment strategy leverages NIR-responsive materials to induce localized hyperthermia. The findings provide grounds for the use of selectively induced hyperthermia, which could be employed for the targeted destruction of cells or fungi with minimal impact on surrounding tissue if the material is functionalized with specific targeting groups and delivered to cells or fungal infections.

Irradiation