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At least 793 records · Page 44

Crystallization and assembly at interfaces: Celebrating the achievements of a vibrant research community

Crystallization is one of the cornerstones of modern materials science and engineering and plays a critical role in industries ranging from petroleum derivative manufacturing to microstructural engineering of structural materials and the defect-free growth of silicon single crystals for integrated chip technology. Also, in the realm of environmental and biological processes, the mineralization of diverse compounds has shaped the vast array of ecosystems we observe today. Conversely, understanding the crystallization and assembly of building blocks of various sizes at interfaces has broader impacts on materials synthesis, performance of energy storage devices, optimized processing conditions, and more.

36 MATERIALS SCIENCE↗

Tailoring Electron-Photon Interaction in Active 3D Photonic-Crystal Architectures

A photonic-crystal is an artificially engineered periodic structure. It is often referred to as an “optical semiconductor” due to its unparallel capability to mold the flow-of-light on-chip, not only in plane (the x-y plane) but also along the third direction. Examples of the unique 3D control-of-light include diffraction less light-guiding, slow light, super prism, negative refraction and high-Q cavity. A new research frontier exists in which the concept of complete control-of-light is utilized to facilitate and maximize electron-photon interaction. The close proximity and strong interaction between a photonic-crystal and an electronic medium can lead to new optoelectronic properties not easily attainable by other means. In this program, we will study this new class of active photonic-crystal and to achieve improved device performances and basic discoveries. Under this program, the PI has made significant progress in the following areas: (i) We have maximized light trapping and absorption by a 3D simple-cubic photonic-crystal; By advancing the concept of simple-cubic symmetry design, we have successfully designed a super thin-film architecture for high efficiency, crystalline silicon solar cells; Most recently, we have provided a theoretical roadmap for thin-film silicon solar cells with 30% power conversion efficiency. (ii) In the modification of thermal radiation area, we have observed quasi- optical coherence in thermal radiation from a 3D metallic photonic-crystal; Furthermore, we have made a direct confirmation of super-Planckian radiation a tungsten photonic-crystal; (iii) We have made simultaneous observation of a large light diffraction-efficiency, 82%, and efficiency enhancement by a volume hologram material (PQ-PMMA) for solar concentration application. (iv) we have also successfully fabricated a 3D metal-oxide photonic crystal. We demonstrated that this TiO 2 photonic crystal can achieve an effectively infinite optical path-length created using a simple-cubic photonic crystal for extreme light trapping.

36 MATERIALS SCIENCE↗

2025 Continuing Incubator Final Report: Active Hybrid Mooring

This project advanced the development of an active hybrid mooring system integrating experimental testing with numerical simulation to capture complex mooring dynamics not feasible in existing wave basins, including deep-water and shared mooring interactions. Verification testing of the complete hybrid system yielded good agreement in mooring tension and platform translation responses, though discrepancies in platform pitch response indicate that further refinement may be needed in future work.

16 TIDAL AND WAVE POWER↗

Machine Learning Vacancy Formation Energy in Nickel-Based Superalloys

Thermal vacancies play a critical role in high-temperature Ni-based superalloys and influence various properties such as creep resistance, oxidation, etc. This study systematically investigates the impact of commonly used transition metals (Cr, Co, Fe), refractory metals (Nb, Ta, Mo, W) and other elements (Al, Cu, Ti, Mn) on the thermodynamic stability of 36 binary, 20 ternary, 11 quaternary, 9 quinary, and 3 senary FCC Ni-based alloys covering various elemental combinations. Density functional theory-based studies on Ni-X binary alloys show that higher concentrations of Cr, Nb, Ta, Al, and Ti introduce significant lattice distortions and broaden the distribution of vacancy formation energies (standard deviation up to 0.15 eV). These elements partially donate electrons, reducing their self-consistent chemical potentials relative to single-element reference values and lowering vacancy formation energies, while Co, Fe, Mo, and W show lower charge localization. These trends extend from 3-6 element alloys, where Cr, Nb, and Ta-rich compositions have low-energy states (~0.5 eV) that increase vacancy concentrations. Finally, graph neural network models are developed to screen over 5000 virtual alloys. Eleven leading compositions are identified with mean vacancy formation energy higher than 1.75 eV and vacancy concentration ~2 orders of magnitude lower than pure Ni at 1000 K. These results provide valuable guidelines to achieve controlled defect engineering in structural alloys.

DFT↗

2024 Incubator Final Report: Active Hybrid Mooring

This Incubator project has defined and developed a representation of an active hybrid mooring (AHM) system in Simulink to assess whether the speed and accuracy of AHM is sufficient to warrant further investigation in a larger project. We first built a representative mooring system for the VolturnUS-S 15MW floating offshore wind turbine (FOWT) in 1,000-meter water depth to provide baseline loads and displacements needed in the AHM system, with the results showing off-the-shelf actuators would be practical. We then defined model configurations for the numerical and physical substructures, using standalone MoorDyn v2 with a novel input strategy and chained hydraulic actuators represented in Simulink Simscape, respectively. The remainder of the project has focused on verifying the existing models for speed and accuracy against OpenFAST simulations, increasing their complexity to enable six degree of freedom (6DOF) operation, and connecting the numerical and physical substructures into a single holistic model. The verification phase of the project has shown promising results, though further refinement is needed to resolve accuracy discrepancies and for robust performance across a wider range of metocean conditions. The numerical model we developed is computationally stable and operates faster than real time using a time step of 0.01 seconds or shorter, indicating the model is likely fast enough for our AHM design to operate successfully. Additionally, the Simscape model of a hydraulic actuator operates with less than 0.3% relative error when actuating mooring loads from an OpenFAST simulation of the VolturnUS-S 1,000-meter mooring system. The aforementined refinements will be performed in the next year as a Continuing Incubator, with key remaining tasks include programming the predictor-corrector loop to minimize movement error, testing against more complex nonlinear wave cases, and expanding to enable loads from connected shared mooring lines.

17 WIND ENERGY↗

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]↗

Band Structure-Driven Design of a α-CsPbI 3 Ammonia Sensor for Industrial Applications

We investigate the defect-dependent electronic structure and gas-sensing potential of cubic α-CsPbI 3 using first-principles density functional theory and nonadiabatic molecular dynamics. Among the intrinsic defects, interstitials, vacancies, antisites, and switches studied, the I Pb and Pb I antisite defects exhibit transition energy levels near the middle of the band gap, thus functioning as deep traps. Short-term adsorption of ammonia selectively modifies the electronic structure, coordinating with Pb at Pb I sites and Cs at I Pb sites, significantly altering recombination pathways. Detailed analysis reveals that NH 3 reduces anharmonicity at I Pb defects, enabling enhanced recombination at elevated temperatures, while trap-assisted recombination dominates at room temperature. Other analytes, including CH 3 NH 2 and NO 2 , show negligible impact on the band gap or recombination dynamics, highlighting the potential selectivity of NH 3 interactions. Ab initio nonadiabatic molecular dynamics simulations at 300 K and 600 K further demonstrate temperature-dependent modulation of carrier lifetimes, with NH 3 accelerating recombination at ambient conditions and suppressing certain pathways at higher temperatures. These findings suggest that α-CsPbI 3 can serve as a selective and sensitive ammonia sensor over a broad temperature range and offer insights for ammonia detection under industrially relevant conditions.

ammonia sensor↗

Negative Index Metamaterial Lens for Subwavelength Microwave Detection

Metamaterials are engineered periodic structures designed to have unique properties not encountered in naturally occurring materials. One such unusual property of metamaterials is the ability to exhibit negative refractive index over a prescribed range of frequencies. A lens made of negative refractive index metamaterials can achieve resolution beyond the diffraction limit. This paper presents the design of a metamaterial lens and its use in far-field microwave imaging for subwavelength defect detection in nondestructive evaluation (NDE). Theoretical formulation and numerical studies of the metamaterial lens design are presented followed by experimental demonstration and characterization of metamaterial behavior. Finally, a microwave homodyne receiver-based system is used in conjunction with the metamaterial lens to develop a far-field microwave NDE sensor system. A subwavelength focal spot of size 0.82λ was obtained. The system is shown to be sensitive to a defect of size 0.17λ × 0.06λ in a Teflon sample. Consecutive positions of the defect with a separation of 0.23λ was resolvable using the proposed system.

47 OTHER INSTRUMENTATION↗

The Response of Ribbed Panels to Reverberant Acoustic Fields

A statistical method for estimating the response of ribbed panels to acoustic excitation is discussed. It is shown that the acceleration spectrum of the vibrational field is related to the pressure spectrum by a coupling factor which is a simple function of the radiation and mechanical resistance of the structure. The radiation resistance of a ribbed panel is studied as a function of frequency. The analysis predicts that ribbing increases the radiation resistance of the panel and hence its coupling to the acoustic field. The effect of various panel-rib boundary conditions is also considered. The results of experiments which were conducted to test the theory are reported. The agreement between theory and experiments is shown to be satisfactory.

BOUNDARY↗

Important Research Problems in Missile and Spacecraft Structural Dynamics, 1961

An attempt is made to indicate the research studies which should be vigorously supported in order to provide necessary information for the solution of structural dynamic problems of missile and space vehicles. The problem areas are discussed in terms of the disciplines or functions required in their solution. Among the latter are: (1) interactions of the complete system and the environment, (2) criteria for design conditions and performance, (3) interactions of aerodynamic forces with flexible structures, (4) motion of liquids, (5) vibration, (6) impulsive loading and transient responses, (7) guidance and control, (8) testing, and (9) materials considerations. In addition, some correlation is provided for identifying the problems in terms of the environmental conditions in which they occur.

MISSILE↗