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At least 577 records · Page 32

Advancements in Heat Transfer and Fluid Mechanics (Fundamentals and Applications)

Thermo-fluid science is a foundational discipline for numerous mechanical systems, particularly in energy production and building equipment, where thermal and mechanical energy transfer play critical roles. Advancements in heat transfer and fluid mechanics have significantly enhanced these systems, driving progress in associated market sectors. For instance, evaporator and condenser coils are essential for optimizing vapor compression cycles in building equipment. Heat pumps used for space and water heating constitute a major share of building systems, with microchannel heat exchanger technology at the forefront of these innovations. It is worth mentioning that advancements in heat transfer and fluid mechanics significantly alleviate the challenge of designing energy-efficient building equipment. The development of research techniques has contributed significantly to the advancement of science; for example, in the experimental field, non-intrusive measurement techniques such as Particle Image Velocimetry (PIV) are now capable of resolving flow behavior in a 3D format for different length and time scales.

42 ENGINEERING

Modeling glass degradation and release of radionuclides from vitrified waste for performance assessment simulations

The release of radionuclides initially encapsulated in a slowly degrading solid waste form and contained in an eventually corroding canister defines the source term for numerical simulations for the assessment of a geologic repository for high-level radioactive waste. While the details of waste degradation, canister corrosion, and dissolution and mobilization of the radionuclides in pore water include complex chemical reaction and transport processes that are coupled to the thermal, hydrological, microbiological, and mechanical conditions in the repository, the source-term model suitable for use in a numerical performance assessment model should be a defensible abstraction of these mechanisms. We developed a radiological source-term model and implemented it into a non-isothermal flow and transport simulator. While the proposed source-term model is applicable to various waste forms, canister systems, and disposal concepts, we specifically considered radionuclide releases from vitrified high-level waste placed in a cylindrical canister disposed in a deep vertical borehole repository. In this model, waste degradation is a function of temperature, and it can be adjusted to evaluate the influence of and propagate uncertainties in pH, passivation reactions, and chemical conditions as well as geometrical factors. The time-dependent, congruent release of safety-relevant radionuclides present in the decaying inventory is then calculated. Finally, the radionuclides are mobilized by diffusive and advective transport according to the thermo-hydraulic conditions prevailing in the near field of the repository, from where they migrate through the geosphere to the accessible environment. We examine the influence of the source-term model’s parameters on performance assessment calculations through sensitivity and uncertainty propagation analyses, identifying influential factors and confirming the upper bound of their impact. These considerations align with the overarching goal of repository design, which is to demonstrate that engineered and natural barriers can collectively delay radionuclide migration for timescales far exceeding human planning, thereby providing multiple, redundant barriers against environmental contamination.

iTOUGH2

Air‐Stable High‐Voltage Li‐Ion Organic Cathode Enabled by Localized High‐Concentration Electrolyte

While lithium‐ion batteries have revolutionized the field of energy storage, their reliance on critical minerals such as cobalt and nickel raises significant concerns over resource availability and supply chain uncertainty. In this study, we revisit dithiin‐fused dilithium naphthazarin (5,8‐dihydroxy‐1,4‐naphthoquinone) (DNP‐Li) as a high‐voltage Li‐ion organic cathode and evaluate its performance in conjunction with localized high‐concentration electrolyte (LHCE). DNP‐Li exhibits remarkable air and thermal stability, a high operating potential of 3.55 V vs. Li + /Li, and a specific capacity of 232 mAh g −1 , positioning it as one of the most promising candidates among Li‐ion organic cathodes. Furthermore, the electrochemical behavior of DNP‐Li is strongly influenced by the electrolyte composition, giving distinct two‐plateau or four‐plateau voltage profiles accompanied by reversible or irreversible phase transitions in carbonate‐based or LHCE electrolyte formulations, respectively. The reduced solubility of DNP‐Li‐based redox intermediates in LHCE enhances cycling stability, achieving a capacity retention of 85% after 50 cycles at 0.1C and 75% after 160 cycles at 0.5C, demonstrating a significant improvement compared to the carbonate‐based electrolyte. This work highlights the critical role of solute–electrolyte interactions in modulating the electrochemical performance of multielectron small‐molecule organic cathodes, offering new pathways for advancing sustainable and high‐efficiency energy storage technologies.

Lakraychi, Alae Eddine [Department of Electrical a

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE

PlantCV v4: Image analysis software for high‐throughput plant phenotyping

PlantCV is an open-source Python project aimed at developing tools to address a range of image-based, plant phenotyping questions. PlantCV has been used for more than 10 years to automate trait collection from image data, and the newest release, PlantCV version 4, continues to lower the barrier to entry for users without substantial coding experience through extensive example use-case tutorials and simplified installation. In addition to usability, we document added functionality since the release of PlantCV v2, including support for more image types such as fluorescence, thermal, and hyperspectral data. Finally, we describe the development of a new subpackage focused on morphological trait measurements like leaf angle, and demonstrate its utility as compared to more manual methods of data collection.

Schuhl, Haley [Donald Danforth Plant Science Cente

Characterization of SiO 2 Thermally Grown Oxide Stress Evolution of EBCs with Al-Containing Dopants

SiC/SiC ceramic matrix composites (CMCs) are desired for use in combustion environments to achieve higher turbine operating temperatures. However, CMCs require environmental barrier coatings (EBCs) for protection from the gas environment. EBC systems are known to primarily fail through coating delamination via growth of a thermally grown oxide (TGO) at the EBC—silicon bond coating interface when exposed to steam, which accelerates the TGO growth rate. The TGO undergoes a phase transformation during thermal cycling, which results in stresses that may encourage EBC spallation. Yb-silicate EBCs with mullite and yttrium aluminum garnet (YAG) dopant additions were deposited on SiC substrates with a Si intermediate bond coating and exposed to thermal cycling in steam at 1350 °C. The impact of Al dopant additions on the TGO growth rate and the SiO 2 phase transformation was assessed. Photo-stimulated luminescence spectroscopy (PSLS) was used to characterize the Al-containing phases and to measure stress evolution in the EBC following exposure using the stress-induced peak shift of the R-lines of mullite. Raman microscopy was used to map the stresses in the Si bond coating following exposure. It was found that the TGO phase transformation upon cooling increased compressive stress in the Si bond coating within 15 µm of the TGO.

Building Materials

Melting of charge density waves in low dimensions

Charge density waves (CDWs) are collective electronic states that can reshape and melt, even while confined within a rigid atomic crystal. In two dimensions, melting is predicted to be distinct, proceeding through partially ordered nematic and hexatic states that are neither liquid nor crystal. Here, we measure and explain how continuous, hexatic melting of incommensurate CDWs occurs in low-dimensional materials. As a CDW is thermally excited, disorder emerges progressively—initially through smooth elastic deformations that modulate the local wavelength and subsequently via the nucleation of topological defects. Experimentally, we track three hallmark signatures of CDW melting—azimuthal superlattice peak broadening, wavevector contraction, and integrated intensity decay.

42 ENGINEERING

From Pollutant Removal to Renewable Energy: MoS2-Enhanced P25-Graphene Photocatalysts for Malathion Degradation and H2 Evolution

The widespread presence of pesticides—especially malathion—in aquatic environments presents a major obstacle to conventional remediation strategies, while the ongoing global energy crisis underscores the urgency of developing renewable energy sources such as hydrogen. In this context, photocatalytic water splitting emerges as a promising approach, though its practical application remains limited by poor charge carrier dynamics and insufficient visible-light utilization. Herein, we report the design and evaluation of a series of TiO2-based ternary nanocomposites comprising commercial P25 TiO2, reduced graphene oxide (rGO), and molybdenum disulfide (MoS2), with MoS2 loadings ranging from 1% to 10% by weight. The photocatalysts were fabricated via a two-step method: hydrothermal integration of rGO into P25 followed by solution-phase self-assembly of exfoliated MoS2 nanosheets. The composites were systematically characterized using X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM), UV-Vis diffuse reflectance spectroscopy (DRS), and photoluminescence (PL) spectroscopy. Photocatalytic activity was assessed through two key applications: the degradation of malathion (20 mg/L) under simulated solar irradiation and hydrogen evolution from water in the presence of sacrificial agents. Quantification was performed using UV-Vis spectroscopy, gas chromatography–mass spectrometry (GC-MS), and thermal conductivity detection (GC-TCD). Results showed that the integration of rGO significantly enhanced surface area and charge mobility, while MoS2 served as an effective co-catalyst, promoting interfacial charge separation and acting as an active site for hydrogen evolution. Nearly complete malathion degradation (~100%) was achieved within two hours, and hydrogen production reached up to 6000 µmol g−1 h−1 under optimal MoS2 loading. Notably, photocatalytic performance declined with higher MoS2 content due to recombination effects. Overall, this work demonstrates the synergistic enhancement provided by rGO and MoS2 in a stable P25-based system and underscores the viability of such ternary nanocomposites for addressing both environmental remediation and sustainable energy conversion challenges.

Chemistry

Electrical conductivity of multilayered Cu/Nb composites fabricated by accumulative roll bonding

The electrical conductivity of nanolayered copper/niobium composites fabricated using accumulative roll bonding was investigated as a function of layer thickness. Cu/Nb was used as a model system to evaluate the processing-structure–property relationship stemming from the accumulative roll bonding process. The physical properties were compared against samples of individual average layer heights ranging from 193 to 25 nm. The electrical resistivity was measured over a temperature range of ~3–300 K. Analysis on the role of interfaces on temperature dependence is conducted including the residual resistivity ratio and temperature coefficient of resistivity. It was found that electrical resistivity increases with decreasing layer height.

36 MATERIALS SCIENCE

Validation of OpenPronghorn for Periodic Hill Flow Separation

OpenPronghorn is an open-source, MOOSE-based thermal-hydraulics simulation tool used for advanced reactor analysis. As an open-source code, it offers a transparent framework for validating governing equations, assumptions, and numerical methods against established benchmarks. This study evaluates OpenPronghorn's RANS turbulence model against the ERCOFTAC Case 81 periodic hill benchmark, a standard test case for separated turbulent flow featuring curved-wall separation, recirculation, shear-layer development, and reattachment. Streamwise velocity profiles predicted by OpenPronghorn were compared to reference LES data at multiple x/h locations. Results show that OpenPronghorn captures the overall trend of the velocity profiles, but the largest discrepancies occur in the separated-flow region, where turbulence is highly anisotropic and strongly affected by adverse pressure gradients and wall curvature—conditions that are inherently difficult for standard RANS models to resolve. Future work will test alternative k-e model variants and correction terms to improve prediction accuracy in this region.

42 - ENGINEERING

Convergent Manufacturing of Large-Scale Components for Nuclear Applications, via Additive Manufacturing and Powder Metallurgy Hot Isostatic Pressing

Powder metallurgy (PM)–hot isostatic pressing (PM-HIP) has long been recognized as a powerful route for producing fully dense, near net shape metallic components. By consolidating powders under high temperature and pressure, HIP provides isotropic properties, uniform microstructures, and scalability to complex geometries that are vital for sectors such as aerospace, energy, and nuclear power. Yet despite these advantages, the technology has remained constrained by costly trial and error canister fabrication, limitations of conventional forging, and incomplete knowledge about how the canister design influences final part properties. Additive manufacturing (AM), by contrast, thrives on design freedom and geometric flexibility but struggles with speed, scalability, and cost when applied to very large structures. The research presented in this report investigated how a convergent manufacturing approach, combining AM with PM-HIP, can merge the strengths of both technologies, leveraging AM’s flexibility for canister design and HIP’s consolidation capability to deliver reliable, large, and complex parts. The work progressed through three case studies that built on one another in scale and complexity. Small cylindrical canisters fabricated by conventional methods, laser powder bed fusion, and directed energy deposition were filled with stainless steel powders and subjected to HIP. The resulting parts demonstrated near-full density and mechanical properties on par with wrought stainless steel, showing for the first time that AM canisters can be a direct substitute for conventional ones without sacrificing quality. The next step involved a medium-scale, noncentrosymmetric T-valve, which is an enclosed, multibranch geometry that tested the limits of AM + PM-HIP integration. The T-valve achieved predictable shrinkage and uniform densification, confirming feasibility for enclosed designs. However, this study also revealed oxide inclusions and interfacial challenges at the AM + HIP boundary, underscoring the critical importance of controlling interface chemistry and employing robust, in situ strategies, such as melt pool monitoring and thermal monitoring, coupled with nondestructive evaluation techniques such as x-ray computed tomography. Finally, the effort culminated in fabricating a large-scale impeller weighing nearly 2000 lb and spanning 5 ft in diameter. Produced via multirobot wire arc AM and hot isostatic pressed to near-full density, the impeller validated industrial-scale feasibility. Predictive models closely matched experimental shrinkage, tensile properties were spatially uniform across the component, and the AM + PM-HIP interface proved mechanically sound despite the presence of oxide-decorated prior particle boundaries. This large-scale demonstration is a major milestone, showing that hybrid AM + PM‑HIP can reliably deliver components at reactor-relevant scales. Collectively, these studies charted a logical pathway: small-scale work built scientific confidence, medium-scale work highlighted opportunities and challenges, and large-scale work proved industrial impact. The overarching conclusion of this report is that AM + PM-HIP should not be seen as a replacement for forging but as a complementary pathway that provides the US with flexibility, resilience, and new options for manufacturing nuclear-grade components. Looking ahead, several directions emerge as critical to sustaining progress. Predictive modeling must become faster, more accessible, and more accurate, with digital twins and machine learning reducing reliance on trial and error. Powders and alloys must be optimized for HIP, with improved cleanliness, reduced oxides, and tailored chemistries that enhance creep, fatigue, and irradiation resistance. Interfaces between AM and HIP regions must be better engineered through coatings, machining strategies, and surface treatments to mitigate oxide formation and ensure reliable bonding to explore opportunities for HIP of targeted compositional parts, as well as multimaterial HIP cladding applications. Monitoring and nondestructive evaluation need to expand, incorporating multimodal sensors, x-ray computed tomography, and real-time data integration through platforms such as Pelican. At the same time, the pathway to industrial adoption requires techno-economic analysis, machinability studies, and qualification frameworks aligned with industry and regulatory standards. Finally, workforce and academic engagement must be strengthened. Programs that train technicians and engineers for US Navy and US Department of Energy manufacturing challenges should be paired with academic partnerships to support fundamental research, with open sharing of non-export-controlled data to accelerate innovation and build the next generation of experts. In conclusion, this report demonstrates that hybrid AM + PM-HIP is scientifically viable and strategically important. By combining the design agility of AM with the consolidation strength of HIP and embedding modeling, monitoring, and workforce development, this approach provided a transformative new capability for US manufacturing. The path forward is clear: hybrid AM + PM-HIP is not just a promising research direction but is also potentially an industrially relevant pathway that can reshape how nuclear-grade components are designed, qualified, and deployed.

36 MATERIALS SCIENCE

Drying of strawberries with airborne ultrasound and other integrated dehydration mechanisms

This article presents a comprehensive investigation into the drying of strawberries using multiple dehydration methods with an emphasis on energy efficiency and sustainability. Initially, an airborne ultrasonic transducer with a frequency of 21 kHz was employed in batch operations to examine the effects of controlling parameters, including applied power, distance from the transducer plate, sample thickness, and sample holder type. The Energy Ratio, defined as the ratio of thermal energy required to evaporate moisture to ultrasonic energy, was observed to reach up to 2.2, particularly during the initial stages of drying. Subsequently, the Smart Dryer integrated airborne ultrasound (US) dehydration, slot jet reattachment (SJR) nozzle convective drying, infrared (IR) drying, and their combinations, enabling a systematic exploration of various drying conditions on the drying time and quality of strawberries. The integration of airborne US with SJR nozzles and IR drying demonstrates a promising approach for optimizing drying processes. This method not only preserves the quality of dried strawberries but also improves the energy factor to 0.88, reducing drying time by 89% compared with other conditions. Key quality attributes of the dried strawberries, such as color and water activity, were evaluated to understand the influence of each drying method. The findings highlight the potential of these integrated drying techniques as sustainable solutions for efficient and high-quality strawberry dehydration.

42 ENGINEERING

Nuclear Reactor Heat Extraction for Synthetic Fuel Plants

This report looks at the viability and best approach when producing synthetic fuels using heat and power supplied by advanced nuclear energy systems. The report looks at a low temperature integration pathway with four types of advanced reactors: a pressurized water reactor (PWR), an advanced light water reactor (A-LWR), a sodium fast reactor (SFR), and a high-temperature gas-cooled reactor (HTGR). A failure modes and effects analysis (FMEA) of the coupling system between the nuclear plant and the synthetic fuel systems is performed with the goal of identifying the reliability of such a thermal delivery system. Furthermore, a high temperature pathway is investigated for synfuel coupling to determine if this is more efficient and more cost effective as a coupling approach.

10 - SYNTHETIC FUELS

Outflow Boundary Conditions for Turbine-Integrated Rotating Detonation Combustors

This study examines outflow boundary conditions (BCs) in computational fluid dynamics (CFD) simulations of a transition duct with and without guide vanes that converts supersonic flow exiting a rotating detonation combustor (RDC) to subsonic flow to drive a turbine. Since the flow exiting the transition duct has swirling shock waves with significant spatial and temporal variations in pressure, temperature, and Mach number, imposing proper BCs poses a challenge. To ensure all swirling shock waves exit the transition duct without creating non-physical reflected waves at its outlet, this study examined three outflow BCs: (1) the average pressure imposed at the duct’s outlet, (2) a nonreflecting BC (NRBC) with a specified average pressure imposed at the duct’s outlet, (3) the average pressure imposed at the outlet of an extension duct made up of a buffer layer and a sponge layer. This study is based on the three-dimensional, unsteady density-weighted-ensemble-averaged continuity, Navier–Stokes, and energy equations for a thermally perfect gas closed by the realizable k–ε model and “enhanced” wall functions. The results obtained show that imposing an average pressure at the transition duct’s outlet produces spurious waves that degrade the physical meaningfulness of the solution. When the NRBC was applied, swirling shock waves exited the duct’s outlet without creating spurious waves. However, its usage requires the gas to be thermally, as well as calorically, perfect, which this study shows could be a concern. By imposing the average pressure at the outlet of an extension duct, the gas does not need to be calorically perfect. The results obtained show the effects of the sponge layer’s length and coarsening ratio on damping nonuniformities in non-physical reflected waves to ensure the flow exiting the transition duct’s outlet can do so as if there are no boundaries present and has the desired average pressure—even though the BC is applied at the extension duct’s outlet.

gas turbines

Thermodynamics and its prediction and CALPHAD modeling: Review, state of the art, and perspectives

Thermodynamics is a science concerning the state of a system, whether it is stable, metastable, or unstable, when interacting with its surroundings. The combined law of thermodynamics derived by Gibbs about 150 years ago laid the foundation of thermodynamics. In Gibbs combined law, the entropy production due to internal processes was not included, and the 2nd law was thus practically removed from the Gibbs combined law, so it is only applicable to systems under equilibrium, thus commonly termed as equilibrium or Gibbs thermodynamics. Gibbs further derived the classical statistical thermodynamics in terms of the probability of configurations in a system in the later 1800's and early 1900's. With the quantum mechanics (QM) developed in 1920's, the QM-based statistical thermodynamics was established and connected to classical statistical thermodynamics at the classical limit as shown by Landau in the 1940's. In 1960's the development of density functional theory (DFT) by Kohn and co-workers enabled the QM prediction of properties of the ground state of a system. On the other hand, the entropy production due to internal processes in non-equilibrium systems was studied separately by Onsager in 1930's and Prigogine and co-workers in the 1950's. In 1960's to 1970's the digitization of thermodynamics was developed by Kaufman in the framework of the CALculation of PHAse Diagrams (CALPHAD) modeling of individual phases with internal degrees of freedom. CALPHAD modeling of thermodynamics and atomic transport properties has enabled computational design of complex materials in the last 50 years. Our recently termed zentropy theory integrates DFT and statistical mechanics through the replacement of the internal energy of each individual configuration by its DFT-predicted free energy. The zentropy theory is capable of accurately predicting the free energy of individual phases, transition temperatures and properties of magnetic and ferroelectric materials with free energies of individual configurations solely from DFT-based calculations and without fitting parameters, and is being tested for other phenomena including superconductivity, quantum criticality, and black holes. Those predictions include the singularity at critical points with divergence of physical properties, negative thermal expansion, and the strongly correlated physics. Furthermore, those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of the materials genome®. This has the potential to shift the paradigm of CALPHAD modeling from being heavily dependent on experimental inputs to becoming fully predictive with inputs solely from DFT-based calculations and machine learning models built on those calculations and existing experimental data through newly developed and future open-source tools. Furthermore, through the combined law of thermodynamics including the internal entropy production, it is shown that the kinetic coefficient matrix of independent internal processes is diagonal with respect to the conjugate potentials in the combined law, and the cross phenomena that the phenomenological Onsager flux and reciprocal relationships are due to the dependence of the conjugate potential of a molar quantity on nonconjugate molar quantities and other potentials, which can be predicted by the zentropy theory and CALPHAD modeling.

42 ENGINEERING

Intense cavitation-assisted electric discharge as a promising tool for water treatment

This study investigates interrelations between one-electrode Cavitation-Assisted Electric Discharge (CAED), two-electrode CAED, and recently discovered Intense CAED (I-CAED). The one-electrode CAED is a self-triggered nanosecond discharge with pulse energy in the micro-Joule range, which can be generated even by a DC voltage. I-CAED consists of a non-equilibrium part within a low-pressure cavitating region and a micro-spark traversing a liquid film. We hypothesize that CAED propagates from the high-voltage electrode as an ionization wave through bubbles of saturated vapor. Subsequently, the streamer-like discharges in the bubbles may form a continuous plasma channel. Inside the cavitating region, the plasma is strongly non-equilibrium, providing an ideal environment for generating chemically unstable species such as hydrogen peroxide (H 2 O 2 ). Plasma of I-CAED spark is characterized by high electron density and near-thermal equilibrium, emitting a continuous ultraviolet spectrum. The combination of these different discharge parts makes I-CAED in water a highly effective tool for the Advanced Oxidation Process, particularly in water disinfection. Experimentally demonstrated Electric Energy per Order value for disinfection of E. coli-contaminated water is as low as 0.135 ± 0.035 kWh/m 3 /order. Estimates show that the implementation of “dry electrodes” configuration reduces the erosion rate of the electrode material by at least one order of magnitude. Spectral analysis reveals that the continuum emission generated by I-CAED in proximity to metal electrodes deviates from the spectra of discharges spatially decoupled from the electrodes. We assume that this spectral divergence is attributable to blackbody-like emission originating from metallic nanoparticles form during the electrode's erosion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Comparison of spatial dynamics and point kinetics approaches in multiphysics modeling of the molten salt reactor experiment

In this work, we present validation test results of fully coupled neutronics and thermal-hydraulics models of the Molten Salt Reactor Experiment (MSRE) against experimental data of the zero power pump transients and the natural circulation tests at low power. To capture the strong coupling between neutronics and thermal-hydraulics due to fuel circulation, and to account for the delayed neutron precursor (DNP) distribution, the porous media thermal-hydraulics solver Pronghorn was fully coupled to the spatial neutron dynamics code Griffin, which solves the neutron diffusion equation, and to the 0-D point kinetics solver Squirrel, using a 2-D homogenized representation of the MSRE. The validation test results show very good agreement with experimental data for both point kinetics and spatial dynamics simulations, capturing the strong feedback effect and DNP losses in the MSRE. The 0-D code Squirrel accurately predicted the time-dependent behavior in the MSRE given the steady-state spatial dynamics solution of Griffin.

42 - ENGINEERING

Multi-Objective design of interlocking metasurfaces using conditional diffusion models

Unit cell design remains a major challenge for interlocking metasurfaces, a promising joining technology for dissimilar materials, due to the complex, competing, multivariate design space and the need for rapid adaptation to varying performance requirements. This study explores Conditional Diffusion Models as a design optimization tool for interlocking metasurfaces. Given the complex, competing, multivariate design space for interlocking metasurfaces, unit cell design remains a major challenge for this joining technology. We trained a conditional diffusion model on 25,000 finite element analysis-simulated interlocking metasurface unit cells to generate designs with tailored thermo-mechanical properties (tensile strength, shear strength, and thermal conductivity) based on specified performance criteria. The model demonstrated a success rate of approximately 72 % in producing designs that met specified property bounds. The conditional diffusion model generated both thermally resistive and conductive designs, revealing clear trends in design characteristics: taller, dendritic structures were advantageous for tensile loads, while shorter, robust designs excelled in shear applications. Our findings indicate that the model's performance is more influenced by the breadth of the design space than by the quantity of training data, highlighting the importance of expansive design domains for generating innovative solutions. This work establishes conditional diffusion models as a highly efficient and adaptable tool for rapid interlocking metasurface unit cell design, paving the way for advancements in multi-material joining technologies, as well as highlighting the justification to leverage conditional diffusion models as design tools across complex design domains.

Conditional diffusion models