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At least 469 records · Page 26

Coupled Fluids-Radiation Analysis of a High-Mass Mars Vehicle

The NEQAIR line-by-line radiation code has been incorporated into the DPLR Navier-Stokes flow solver such that the NEQAIR subroutines are now callable functions of DPLR. The coupled DPLR-NEQAIR code was applied to compute the convective and radiative heating rates over high-mass Mars entry vehicles. Two vehicle geometries were considered - a 15 m diameter 70-degree sphere cone configuration and a slender, mid-L/D vehicle with a diameter of 5 m called an Ellipsled. The entry masses ranged from 100 to 165 metric tons. Solutions were generated for entry velocities ranging from 6.5 to 9.1 km/s. The coupled fluids-radiation solutions were performed at the peak heating location along trajectories generated by the Traj trajectory analysis code. The impact of fluids-radiation coupling is a function of the level of radiative heating and the freestream density and velocity. For the high-mass Mars vehicles examined in this study, coupling effects were greatest for entry velocities above 8.5 km/s where the surface radiative heating was reduced by up 17%. Generally speaking, the Ellipsled geometry experiences a lower peak radiative heating rate but a higher peak turbulent convective heating rate than the MSL-based vehicle.

Palmer, Grant↗

ANALYSIS OF THE MSL/MEDLI ENTRY DATA WITH COUPLED CFD AND MATERIAL RESPONSE.

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heat-shield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material. PICA is a lightweight carbon fiber/polymeric resin material that offers out-standing performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP). The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on Open-FOAM (PATO) using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA, is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Mars Science Laboratory↗

Analysis of MSL/MEDLI Entry Data with Coupled CFD and Material Response

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on OpenFOAM (PATO) [4,5,6] using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA [7], is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Thermal Protection Systems↗

Coupled Fluid Dynamics and Material Response Simulations for Nitrogen High Enthalpy Flows

The study focuses on the interaction of nitrogen flows with thermal protection systems during atmospheric re-entry for NASA flight missions. The Ares multiphysics coupling tool is employed to investigate the coupling between the fluid (US3D) and material response (Icarus) solvers using various modeling approaches. These approaches include the equilibrium thin-film coefficients approach, a weakly coupled approach with temperature coupling, and an approach considering the full chemical composition of the surface and the transfer of pyrolysis gases. The objective is to understand and accurately represent the mechanisms of nitrogen interaction with the surface, such as nitridation and catalytic recombination. The study aims to assess the accuracy of the different approaches by comparing them to experimental results obtained from NASA arc-jet facilities. By addressing these challenges and improving the understanding of nitrogen-surface interactions, it is expected to enhance the design and performance analysis of thermal protection systems for future missions.

Ablation↗

Efficient Two-Way Coupled Analysis of Steady-State Particle-Laden Hypersonic Flows

A direct solution approach for surface erosion in particle-laden hypersonic flows is extended for use in low-cost two-way coupled solutions of dilute gas-particle flows. The Trajectory Control Volume method, which uses a sparse set of probe particles to predict surface erosion distributions on general vehicles, is reformulated for the solution of source terms by mean trajectory subdivision and computing a flux differencing. The approach is verified successfully against a boundary layer solution and shown to agree well with experimental measurements. A representative Mars entry case, with conditions and geometry based on the ExoMars Schiaparelli capsule, is solved with the approach to study the impact of two-way coupling on surface heating and erosion. Results indicate that for realistic loading conditions, heating is largely unmodified compared to one-way coupled results at peak heating trajectory conditions, and no measureable difference is observed in the surface erosion rate. At exaggerated loading conditions high enough to observe coupling effects, the worst case collisional heating can increase heating by up to 60%.

Particle Laden Flow↗

Coupled Material Response Simulations of Dragonfly Capsule and DrEAM Reconstruction

Icarus is a three-dimensional, unstructured, finite-volume material response solver developed at NASA Ames Research Center and has been recently used to analyze the material response of the Dragonfly capsule for a variety of problems. Since the Dragonfly capsule will be instrumented in a similar manner to the Mars 2020 and MSL capsules, it is important to assess how our current simulation tools can aid in understanding Dragonfly Entry Aerosciences Measurements (DrEAM). In this presentation, the Ares multi-physics tool that couples Icarus to the flow and radiation physics of the aerothermal environment will be used to better understand how modeling sensitivities might affect environment reconstructions and our understanding of measured data. Ares couples Icarus to the US3D flow solver and NERO, a reduced-order, finite-volume radiation transport solver and uses a customized time-scale management to enable coupled simulations for a large portion of the Dragonfly trajectory. As a result of the coupling, a more accurate and consistent assessment of modelling sensitivities to aerothermal reconstruction can be assessed. For example, the radiometer is sensitive to the quantity of CN in the flow, which is a byproduct of the free-stream methane but also the pyrolysis gas products injected into the boundary layer due to ablation of the heatshield. Ares will be used to conduct a simulation of the full Dragonfly capsule for 50 seconds of the trajectory. The different aerothermal and material response models will be discussed and the key results will be presented in terms of the simulated thermocouple and radiometer measurements on the backshell.

Ablation↗

Observations of Solar Wind-Magnetosphere-Ionosphere Coupling and Its Impact on Equatorial Ionospheric Electrodynamics During the March and April 2023 Geomagnetic Storms

The low-latitude ionosphere is effectively shielded from the high latitude convection electric field during geomagnetic quiet times because region-2 field-aligned currents associated with the partial ring current act to oppose the convection electric field associated with region-1 field-aligned currents. However, the low-latitude ionosphere can be directly coupled to the enhanced magnetospheric electric field through prompt penetration of convection electric field during periods of strong solar wind-magnetosphere interaction. The mechanisms that lead to the generation of prompt penetration electric field during enhanced solar wind-magnetosphereionosphere coupling are complex and not fully understood. We study the evolution of field-aligned currents and the equatorial electrojet during the March and April 2023 geomagnetic storm to understand the processes involving solar wind disturbances interacting with the magnetosphere and coupling into the polar ionosphere, and how the low-latitude ionosphere responded to the enhanced magnetosphere-ionosphere coupling. We will present the observations in the solar windmagnetosphere-ionosphere system, in particular, field-aligned currents at high latitude ionosphere by Swarm and the equatorial electrojet by Swarm and ground-based magnetometers.

Guan Le↗

Coupling a Computational Fluid Dynamics Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop® (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

Heat transfer↗

Assessment of Pioneer Venus Entry Heating with Coupled Radiation and Ablation

The objective of this work is to reconstruct thermocouple temperature measurements taken at the stagnation point of the Pioneer Venus large probe using uncoupled and coupled ablation calculations. The time history of the large probe forebody entry heating was obtained from a trajectory-based analysis that employed a material response solver to model equilibrium and nonequilibrium ablation chemistry at the surface. In the uncoupled approach, equilibrium ablation chemistry was assumed in the material response calculations, but the material response outputs were not returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer due to ablation (e.g., convective blockage and radiative energy absorption) did not influence the flowfield solutions. In the coupled approach, nonequilibrium ablation chemistry was performed and the material response outputs were returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer were accounted for in the flowfield solutions. Both uncoupled and coupled approaches produced reconstructed temperatures that were within 10% of the flight measurements through the entry heat pulse, with the coupled results comparing more favorably with the measurements. Overall, the reconstructed thermocouple temperatures in this work significantly improved on the results of previous reconstructions for the large probe.

Jannuel V V Cabrera↗

Coupling a Computational Fluid Dynamics (CFD) Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

heat transfer↗

Toward NASA/GMAO Coupled Data Assimilation Using JEDI

NASA’s Global Modeling and Assimilation Office (GMAO) is establishing coupled Earth system capabilities using the Joint Effort for Data Assimilation Integration (JEDI) framework, developed in collaboration with the Joint Center for Satellite Data Assimilation(JCSDA). Marine and atmospheric components will utilize a weakly-coupled data assimilation approach. The implementation of the sea-ice, ocean, and coupled analysis (SOCA) component of JEDI is highlighted here, while parallel work on atmospheric data assimilation is also in progress. Improvements to the ocean data assimilation system (ODAS) include: 1) adopting the JEDI framework, 2) a new coupled GCM, and 3) incorporation of new observation sources.

Dorukhan Ardağ↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Linear-scaling quadruple excitations in local pair natural orbital coupled-cluster theory

Here, we present a fast, asymptotically linear-scaling implementation of the perturbative quadruples energy correction in coupled-cluster theory using local natural orbitals. Our work follows the domain-based local pair natural orbital (DLPNO) approach previously applied to lower levels of excitations in coupled-cluster theory. Our DLPNO-CCSDT(Q) algorithm uses converged doubles and triples amplitudes from a preceding DLPNO-CCSDT computation to compute the quadruples amplitude and energy in the quadruples natural orbital (QNO) basis. We demonstrate the compactness of the QNO space, showing that more than 95% of the (Q) correction can be recovered using relatively loose natural orbital cutoffs, compared to the tighter cutoffs used in pair and triples natural orbitals at lower levels of coupled-cluster theory. We also highlight the accuracy of our algorithm in the computation of relative energies, which yields deviations of sub-kJ mol −1 in relative energy compared to the canonical CCSDT(Q). Timings are conducted on a series of growing linear alkanes (up to 10 carbons and 608 basis functions) and water clusters (up to 49 water molecules and 2842 basis functions) to establish the asymptotic linear-scaling of our DLPNO-(Q) algorithm.

Auxiliary functions↗

Antiferromagnetic V 2 ⁢O 3 based exchange coupling

Vanadium sesquioxide (V 2 ⁢O 3 ) is a strongly correlated electronic material that famously undergoes a triple coupled first-order transition where it transitions from a paramagnetic metal with a rhombohedral structure at high temperature to an antiferromagnetic insulator with a monoclinic structure. While several studies have used one of both electronic and structural transitions to control the properties of a heterostructure, evidence of magnetic coupling has notoriously yet to be found. In this paper, we report on a robust magnetic coupling between the antiferromagnetic (AFM) V 2 ⁢O 3 and ferromagnetic (FM) Permalloy (Py) layers that results in a significant exchange bias and strain-induced coercivity enhancement. We provide a temperature and angle-dependent study of magnetic properties, which clearly indicates exchange bias at the AFM/FM interface that appears at the onset of the metal-insulator transition. The magnitude of the exchange bias is strongest when the field is applied along the [001] V 2 ⁢O 3 crystallographic orientation which corresponds to an AFM spin configuration on the [110] surface. Here, this opens the door to designing and implementing novel functionalities in transition metal oxide-based computing using the connection between magnetism and the metal-insulator transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Optimization-Based Coupling of Reduced Order Models with an Efficient Reduced Adjoint Basis Generation Approach

Optimization-based coupling (OBC) is an attractive alternative to traditional Lagrange multiplier approaches in multiple modeling and simulation contexts. However, application of OBC to time-dependent problems has been hindered by the computational cost of finding the stationary points of the associated Lagrangian, which requires primal and adjoint solves. This issue can be mitigated by using OBC in conjunction with computationally efficient reduced order models (ROMs). To demonstrate the potential of this combination, in this paper, we develop an optimization-based ROM-ROM coupling for a transient advection-diffusion transmission problem. We pursue the “optimize-then-reduce” path toward solving the minimization problem at each time step and solve reduced space adjoint system of equations, where the main challenge in this formulation is the generation of adjoint snapshots and reduced bases for the adjoint systems required by the optimizer. One of the main contributions of the paper is a new technique for an efficient adjoint snapshot collection for gradient-based optimizers in the context of optimization-based ROM-ROM couplings. In conclusion, we present numerical studies demonstrating the accuracy of the approach along with comparison between various approaches for selecting a reduced order basis for the adjoint systems, including decay of snapshot energy, average iteration counts, and timings.

coupled problems↗

Chemo‐Mechanical Coupling in Hydrogels: Dynamics in the Diffusion‐Limited Regime

Hydrogels are characterized by substantial volume changes in response to external stimuli, making them promising candidates for developing smart materials with enhanced adaptability and responsiveness. By integrating chemical reactions, hydrogels acquire dynamic and tunable responsiveness to external stimuli through chemo‐mechanical coupling, expanding their potential in emerging applications. However, capturing their transient behavior remains challenging due to the complex interplay of chemical reactions, solvent transport, and polymer network deformation. Classical theories capture equilibrium swelling but fail to describe time‐dependent phenomena. To address this, a time‐dependent continuum model is developed that explicitly couples these processes. Volume phase transition in hydrogels with homogeneous chemical reactions is investigated, then the effects of reaction kinetics on these transitions are analyzed. The coupling of these mechanisms is further explored through a study of transient mechanical instabilities. To illustrate the impact of distinct reaction and diffusion timescales, a photo‐active gripper is studied for robotic applications. Finally, a photo‐active microswimmer that exhibits non‐reciprocal motion is proposed to highlight the solvent diffusion for locomotion at the micro‐ and nano‐ scales. The work establishes that transient dynamics of chemo‐mechanical hydrogels generate functions not accessible by steady state models and provides a predictive platform for designing adaptive materials in emerging applications.

chemo-mechanical coupling↗

Hybrid Plasmonic Coupled‐Mode Metasurface Design for Shot‐Noise Limited Ppb‐Level Hydrogen Detection

Plasmonic hydrogen sensors have enabled hydrogen detection below parts-per-million (ppm) range by boosting the sensitivity using localized surface plasmonic resonant (LSPR) structures. However, the intrinsic optical losses of Palladium (Pd), the primary plasmonic metal used for hydrogen detection, result in a low quality (Q) factor LSPR, which fundamentally hinders further improvement. In this work, a hybrid plasmonic metasurface is proposed that couples Pd-based LSPR structure with an Au film supporting surface plasmon polariton mode (Au-SPP). The coupled near-perfect absorber resonance yields a spectrally narrow, high Q response that retains strong sensitivity to hydrogen while improving resonance localization. Numerical analysis shows that, under shot-noise-limited conditions, the limit of detection (LoD) can be improved by over threefold compared to the state-of-the-art designs. Furthermore, this hybrid plasmonic coupled-mode metasurface thus presents a promising pathway to achieve parts-per-billion-level (ppb-level) hydrogen detection with enhanced spectral precision and robustness.

coupled modes↗