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NASA NTRS2019

Development of a High-Propellant Throughput Small Spacecraft Electric Propulsion System to Enable Lower Cost NASA Science Missions

This paper describes recent progress at the NASA Glenn Research Center (GRC) in the development and demonstration of an integrated high-propellant throughput small spacecraft electric propulsion (HT-SSEP) system based on a Hall-effect thruster. A center-mounted cathode and an innovative magnetic circuit topology were implemented in the design of the Hall-effect thruster to achieve high-propellant throughput, high performance, and efficient packaging. To minimize technical risk, the HT-SSEP development approach sought to limit design features and materials to those with a clear path-to-flight. A propellant throughput capability of greater than 100 kg at a minimum thruster efficiency of 50% was targeted. The proof-of-concept NASA-H64M laboratory model (LM) thruster was designed, fabricated, and tested at GRC in fiscal year 2018. The thruster development leveraged heritage Hall-effect thruster design and manufacturing processes wherever appropriate. Recent NASA advances in Hall-effect thruster technology were also leveraged. A scalable discharge power supply (DPS) capable of powering the H64M-LM was developed, then demonstrated as part of an integrated system test. The DPS uses commercial off-the-shelf components with spaceflight equivalents. A keeper supply with DC ignitor was breadboarded, then demonstrated with a laboratory cathode. Finally, feed system trade studies were performed to ascertain what feed system architecture might be appropriate for an HT-SSEP system. This paper details the motivations for the project, the development approach, the chosen sub-system architectures, design considerations, and test results.

Benavides, Gabriel F.↗

DOE OSTI2026

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2004

TiAl Scramjet Inlet Flap Subelement Designed and Fabricated

Next-generation launch vehicles are being designed with turbine-based combined cycle (TBCC) propulsion systems having very aggressive thrust/weight targets and long lives. Achievement of these goals requires advanced materials in a wide spectrum of components. TiAl has been identified as a potential backstructure material for maintainable composite panel heat exchangers (HEX) in the inlet, combustor, and nozzle section of a TBCC propulsion system. Weight reduction is the primary objective of this technology. Design tradeoff studies have assessed that a TiAl structure, utilizing a high-strength, hightemperature TiAl alloy called Gamma MET PX,1 reduce weight by 41 to 48 percent in comparison to the baseline Inconel 718 configuration for the TBCC propulsion system inlet, combustor, and nozzle. A collaborative effort between the NASA Glenn Research Center, Pratt & Whitney, Engineering Evaluation & Design, PLANSEE AG (Austria), and the Austrian Space Agency was undertaken to design, manufacture, and validate a Gamma-MET PX TiAl structure for scramjet applications. The TiAl inlet flap was designed with segmented flaps to improve manufacturability, to better control thermal distortion and thermal stresses, and to allow for maintainable HEX segments. The design philosophy was to avoid excessively complicated shapes, to minimize the number of stress concentrations, to keep the part sizes reasonable to match processing capabilities, and to avoid risky processes such as welding. The conceptual design used a standard HEX approach with a double-pass coolant concept for centrally located manifolds. The flowpath side was actively cooled, and an insulation package was placed on the external side to save weight. The inlet flap was analyzed structurally, and local high-stress regions were addressed with local reinforcements.

Draper, Susan L.↗

DOE OSTI2021

Deuterated polyethylene nanowire arrays for high-energy density physics

Abstract The interaction of intense, ultrashort laser pulses with ordered nanostructure arrays offers a path to the efficient creation of ultra-high-energy density (UHED) matter and the generation of high-energy particles with compact lasers. Irradiation of deuterated nanowires arrays results in a near-solid density environment with extremely high temperatures and large electromagnetic fields in which deuterons are accelerated to multi-megaelectronvolt energies, resulting in deuterium–deuterium (D–D) fusion. Here we focus on the method of fabrication and the characteristics of ordered arrays of deuterated polyethylene nanowires. The irradiation of these array targets with femtosecond pulses of relativistic intensity and joule-level energy creates a micro-scale fusion environment that produced $2\times {10}^6$ neutrons per joule, an increase of about 500 times with respect to flat solid CD 2 targets irradiated with the same laser pulses. Irradiation with 8 J laser pulses was measured to generate up to 1.2 × 10 7 D–D fusion neutrons per shot.

Optics↗

DOE OSTI2020

Plasma Photonics for the Control of Kilojoule Lasers

The main goal of this project was to develop plasma photonic devices (plasma lenses or ellipsoidal plasma mirrors (EPMs)) for controlling the focus of high-energy (kJ-class) laser systems. In order to defocus a kJclass laser beam, a plasma optic must produce a very specific plasma density profile. For a plasma lens, this profile must be peaked on axis and fall off parabolicly with radius. We developed four plasma-lens target designs that were predicted to yield the ideal plasma profile required for defocusing kJ-class laser beams. Particle-in-cell (PIC) simulations using the code OSIRIS were used to explore the design. The resulting plasma lens must also be underdense, which sets an upper limit on the solid density of the plasma-lens targets to ~ 1 mg/cm 3 or less. This low of a density is highly challenging to fabricate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Nepheline Crystallization Studies and the Structural Integrity of the Residual (SIR) - FY 2022 Study Glasses

In FY22 a set of 367 HLW glasses with compositions representative of the Waste Treatment and Immobilization Plant (WTP) processing region were aggregated and analyzed with the Structural Integrity of the Residual (SIR) model developed by the Savannah River National Laboratory (SRNL). An additional 12 glasses targeting 27 – 37 wt % alumina (in glass) and at waste loadings up to ~70 wt % were fabricated and added to the database. Collectively, this data set was analyzed with regression statistics and partitioning functions to reveal correlations between boron release and the chemical composition. FY22 results indicate that the SIR theoretical alkali-silicate precipitation term, Al 2 O 3 and B 2 O 3 concentration, and SIR computed non-bridging oxygen are significant predictors of chemical durability. A statistical model using the SIR parameters was shown to have greater overall accuracy than the nepheline discriminator model while maintaining false predictions of pour durability below 1%. In FY23, we will continue this work to focus on refining the SIR with glass compositions that challenge the SIR correlation terms, namely the theoretical crystalline precipitation and non-bridging oxygen terms.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Simple coplanar waveguide resonator mask targeting metal-substrate interface

This white paper presents a single-layer mask, found at https://github.com/Boulder-Cryogenic-Quantum-Testbed/simple-resonator-mask. It is designed for fabrication of superconducting microwave resonators towards 1:1 comparisons of dielectric losses from the metal-substrate interface. Finite-element electromagnetic simulations are used to determine participation ratios of the four major regions of the on-chip devices, as well as to confirm lack of crosstalk between neighboring devices and demonstrate coupling tunability over three orders of magnitude. This mask is intended as an open-source community resource for facilitating precise and accurate comparisons of materials in the single-photon, millikelvin regime.

Kopas, Cameron J.↗

DOE OSTI2023

Multifunctional Optical Outcouplers for Efficient and Stable White OLEDs (Final Technical Report)

Replacing fluorescence by phosphorescence in OLED-based solid-state lighting can realize the Department of Energy’s efficiency target of 83% Internal Quantum Efficiency (IQE). The principal challenge, however, is to fix the poor stability of phosphorescent blue OLEDs. To address this, we have fabricated novel plasmonic architectures that improve device stability by decreasing the exciton lifetime of the emitters without drastically decreasing the light extraction efficiency. We describe the impact on stability of these structures in high efficiency blue phosphorescent OLEDs. Although the benefit is appreciable, we find that targeting ‘bright’ triplets on phosphorescent emitter molecules is an incomplete solution, and that it is also necessary to stabilize ‘dark’ triplets formed in the host and blocking layers. We demonstrate substantial improvements in stability using the latter approach, and conclude with a discussion of potential approaches to managing dark triplets in OLEDs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2015

3D Printing Multi-Functionality: Embedded RF Antennas and Components

Significant research and press has recently focused on the fabrication freedom of Additive Manufacturing (AM) to create both conceptual models and final end-use products. This flexibility allows design modifications to be immediately reflected in 3D printed structures, creating new paradigms within the manufacturing process. 3D printed products will inevitably be fabricated locally, with unit-level customization, optimized to unique mission requirements. However, for the technology to be universally adopted, the processes must be enhanced to incorporate additional technologies; such as electronics, actuation, and electromagnetics. Recently, a novel 3D printing platform, Multi3D manufacturing, was funded by the presidential initiative for revitalizing manufacturing in the USA using 3D printing (America Makes - also known as the National Additive Manufacturing Innovation Institute). The Multi3D system specifically targets 3D printed electronics in arbitrary form; and building upon the potential of this system, this paper describes RF antennas and components fabricated through the integration of material extrusion 3D printing with embedded wire, mesh, and RF elements.

antennas↗

DOE OSTI2020

Final Technical Report for project entitled Highly Active, Durable, and Ultra-Low PGM NSTF Thin Film ORR Catalysts and Support

In this project, the objective was to develop new oxygen reduction reaction (ORR) electrocatalysts for proton exchange membrane fuel cells (PEMFCs) which could exceed all of the Department of Energy (DOE) 2020 targets listed in DE-FOA-0001224, Subtopic 1b, Table I. The expected outcome was development of one or more electrocatalysts which are substantially improved over the current state-of-the-art in terms of overall activity, durability, and cost, and are suitable for automotive traction and stationary fuel cell applications. This report summarizes this project’s progress towards meeting the stated objectives and includes a summary of key findings and conclusions. The development activities towards new highly active and durable thin film electrocatalysts has led to the discovery of several electrocatalysts which approached or exceeded several DOE 2020 targets for activity, durability, and performance in proton exchange membrane fuel cell (membrane electrode assemblies (MEAs). In this project, electrocatalyst development focused on systematic physical and electrochemical characterization of electrocatalyst activity, durability, and performance in MEAs as a function of electrocatalyst fabrication, compositional and structural variables. The project approach was to develop relationships between the catalyst functional responses (activity, durability and performance) with catalyst physical properties and catalyst fabrication methods. Additionally, the thin film catalysts were integrated onto the unique and durable 3M Nanostructured Thin Film (NSTF) support, consisting of arrays of self-assembled organic crystalline whiskers. The catalysts were evaluated against the project targets via extensive electrochemical characterization in MEA format at 3M, advanced structural and compositional microscopy at Oak Ridge National Laboratory (ORNL), and atomic structure analysis via XAFS at Argonne National Laboratory (ANL). The extensive electrochemical and physical characterization resulted in development of several trends which correlate the catalysts’ electrochemical properties to their physical properties, including composition, structure, and method of fabrication. The development was guided by density functional theory (DFT) modeling at Purdue University and kinetic Monte Carlo (kMC) modeling at Johns Hopkins University. The catalyst simulations provided key insights into the observed experimental activity and durability trends, and additionally were utilized to assess new electrocatalyst concepts prior to or coincident with physical catalyst development. This development has led to several electrocatalyst candidates with activity and durability which approach or exceed DOE targets. One class of catalysts, based on nm-scale thin layers of Pt on Ir, met or exceeded 6 of the 6 DOE targets the project addressed.

08 HYDROGEN↗

DOE OSTI2025

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Fabrication and Calibration of FORTIS

The Johns Hopkins University sounding rocket group is entering the final fabrication phase of the Far-ultraviolet Off Rowland-circle Telescope for Imaging and Spectroscopy (FORTIS); a sounding rocket borne multi-object spectro-telescope designed to provide spectral coverage of 43 separate targets in the 900 - 1800 Angstrom bandpass over a 30' x 30' field-of-view. Using "on-the-fly" target acquisition and spectral multiplexing enabled by a GSFC microshutter array, FORTIS will be capable of observing the brightest regions in the far-UV of nearby low redshift (z approximately 0.002 - 0.02) star forming galaxies to search for Lyman alpha escape, and to measure the local gas-to-dust ratio. A large area (approximately 45 mm x 170 mm) microchannel plate detector built by Sensor Sciences provides an imaging channel for targeting flanked by two redundant spectral outrigger channels. The grating is ruled directly onto the secondary mirror to increase efficiency. In this paper, we discuss the recent progress made in the development and fabrication of FORTIS, as well as the results of early calibration and characterization of our hardware, including mirror/grating measurements, detector performance, and early operational tests of the micro shutter arrays.

Fleming, Brian T.↗

DOE OSTI2026

Designing the Platinum Catalyst Layer for Improved Performance and Durability in Anion Exchange Membrane Water Electrolysis

To lower the cost of hydrogen produced by anion exchange membrane water electrolysis (AEMWE), it is critical to reduce the use of platinum group metal (PGM) catalysts within the device. While iridium has been successfully replaced with PGM-free catalysts at the anode, platinum-based (Pt) cathode catalysts are still required to meet the activity and durability targets. This study investigates the impact of commercial Pt/C catalyst loading, ionomer type and content, and electrode fabrication method on the cathode catalyst layer properties and AEMWE performance with the aim of determining the feasibility of reduced Pt loadings. While increased Pt loading is found to improve beginning-of-life performance, the effects are minimal above 0.6 mg/cm 2 . Ink characterization shows that ionomer type and content affect the ink stability, particle size, and percent of unbound ionomer, which further impact the homogeneity of the sprayed catalyst layers. The 5% PiperION cathode exhibited the highest performance, which may be attributed to a balance between the small particle size and the low proportion of unbound ionomer, minimizing kinetic and transport losses. Theoretical calculations show that the ionomers interact differently with the Pt surface, causing different surface charges and water adsorption strength and activating different mechanisms for hydrogen evolution. Pt-PiperION lowered the enthalpy of water-splitting by 0.1 eV compared to Pt alone and allowed for equal site access between adsorbed H* and OH* (both adsorbed at circa −2.2 eV). Although catalyst-coated membrane (CCM) fabrication techniques are desirable for scale-up, no performance enhancement is observed compared with the catalyst-coated substrate approach. Durability, as measured by degradation rates, Pt loss, and catalyst layer restructuring, was found to improve with increased Pt loadings, higher ionomer content, and CCM architectures. These findings provide important insight into the significant role of the cathode in AEMWE and strategies for maintaining the performance with low Pt loading or PGM-free catalysts.

08 HYDROGEN↗

DOE OSTI2025

Nickel-incorporated Oxide Composites for Fiber-Optic Based Gas Sensing

Numerous high-value applications within the energy sector involve environmental conditions that are incompatible with traditional sensor technology due to degradation of electrical interconnects, packaging, or the sensors themselves. These can include chemically harsh conditions, high temperature operation, or the presence of electromagnetic interference due to high voltage. The fiber optic platform, constructed of robust, electrically insulating glass or single crystal oxides, offers a versatile and often low cost per node solution to this problem, especially with the integration of distributed sensing techniques such as optical time-domain and frequency-domain reflectometry (OTDR, OFDR). A major challenge of gas and chemical sensing on the optical fiber platform is the fabrication of robust and stable sensing materials that interact quickly and reversibly to the presence of the target analytes. In this work, we discuss the utilization of nickel-incorporated oxides on evanescent-field optical fiber sensors for gas sensing under harsh conditions relevant to multiple energy infrastructure applications. This paper will discuss a Ni/GDC (Ni / Gd-doped ceria) based sensing layer targeting conditions relevant for high-temperature (up to at least 800 oC) hydrogen sensing applications (e.g., for operation within a solid oxide fuel cell or electrolyzer). The impact of hydrogen at elevated temperatures on the optical properties of Ni/GDC will be shown and the material mechanisms for the optical response will be discussed.

gas sensors↗

NASA NTRS2001

Toward a Micro Gas Chromatograph/Mass Spectrometer (GC/MS) System

Miniature mass filters (e.g., quadrupoles, ion traps) have been the subject of several miniaturization efforts. A project is currently in progress at JPL to develop a miniaturized Gas Chromatograph/Mass Spectrometer (GC/MS) system, incorporating and/or developing miniature system components including turbomolecular pumps, scroll type roughing pump, quadrupole mass filter, gas chromatograph, precision power supply and other electronic components. The preponderance of the system elements will be fabricated using microelectromechanical systems (MEMS) techniques. The quadrupole mass filter will be fabricated using an X-ray lithography technique producing high precision, 5x5 arrays of quadrupoles with pole lengths of about 3 mm and a total volume of 27 cubic mm. The miniature scroll pump will also be fabricated using X-ray lithography producing arrays of scroll stages about 3 mm in diameter. The target detection range for the mass spectrometer is 1 to 300 atomic mass units (AMU) with are solution of 0.5 AMU. This resolution will allow isotopic characterization for geochronology, atmospheric studies and other science efforts dependant on the understanding of isotope ratios of chemical species. This paper will discuss the design approach, the current state-of-the art regarding the system components and the progress toward development of key elements. The full system is anticipated to be small enough in mass, volume and power consumption to allow in situ chemical analysis on highly miniaturized science craft for geochronology, atmospheric characterization and detection of life experiments applicable to outer planet roadmap missions.

Wiberg, D. V.↗

DOE OSTI2025

Nickel-incorporated Oxide Composites for Fiber-Optic Based Gas Sensing

Numerous high-value applications within the energy sector involve environmental conditions that are incompatible with traditional sensor technology due to degradation of electrical interconnects, packaging, or the sensors themselves. These can include chemically harsh conditions, high temperature operation, or the presence of electromagnetic interference due to high voltage. The fiber optic platform, constructed of robust, electrically insulating glass or single crystal oxides, offers a versatile and often low cost per node solution to this problem, especially with the integration of distributed sensing techniques such as optical time-domain and frequency-domain reflectometry (OTDR, OFDR). A major challenge of gas and chemical sensing on the optical fiber platform is the fabrication of robust and stable sensing materials that interact quickly and reversibly to the presence of the target analytes. In this work, we discuss the utilization of nickel-incorporated oxides on evanescent-field optical fiber sensors for gas sensing under harsh conditions relevant to multiple energy infrastructure applications. This paper will discuss a Ni/GDC (Ni / Gd-doped ceria) based sensing layer targeting conditions relevant for high-temperature (up to at least 800oC) hydrogen sensing applications (e.g., for operation within a solid oxide fuel cell or electrolyzer). The impact of hydrogen at elevated temperatures on the optical properties of Ni/GDC will be shown and the material mechanisms for the optical response will be discussed.

gas sensors↗

DOE OSTI2024

ROADRUNNER MiniFuel Experiment: Irradiation Target Design and Sample Characterization

High-density uranium nitride (UN) is a fuel candidate for several advanced nuclear reactor designs currently under development. Because there are limited UN performance data relative to fuel fabrication impurity and density variation, an irradiation campaign has been developed as part of a collaborative effort among the University of Texas at San Antonio (UTSA), Westinghouse Electric Company, Oak Ridge National Laboratory (ORNL), and Los Alamos National Laboratory (LANL) under the Nuclear Science User Facilities program. This project, entitled ROADRUNNER, or Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments, aimsto support UN fuel qualification for advanced reactors by investigating the impact of density and impurity variations on UN performance as a function of irradiation temperature and burnup. The MiniFuel experiment vehicle developed by ORNL, which leverages the High Flux Isotope Reactor, was selected to perform this accelerated separate-effects irradiation testing. The experiment test matrix consists of six MiniFuel targets containing miniature UN fuel disks, and targets three distinct burnup levels (37.5, 60, and 75 MWd/kg U) and three distinct temperatures (600, 900, and 1200°C). Neutronics and thermal analyses were performed to determine the experimental parameters needed to meet the desired irradiation conditions and to predict the experiment components temperatures. UN pellets were fabricated at LANL with tightly controlled parameters to produce specimens with three distinct densities and three levels of carbon content. The pellets were then thinned down by UTSA to the experiment-required thickness. The pre-characterization of the specimens includes density measurements, carbon and oxygen contents, microstructure analysis, and x-ray computed tomography. The selected specimens will be assembled into the MiniFuel experiment, and the first ROADRUNNER MiniFuel targets are intended for HFIR insertion during the Fall of 2024. After irradiation, the targets will be shipped to ORNL’s hot cell facility for disassembly. The post-irradiation examination on the fuel specimens includes fission gas release measurements, visual inspection, fuel swelling measurements, gamma spectroscopy, and microstructure analysis. The data collected post-irradiation will be used to develop fuel performance models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Rational Design of Nanoplasmonic Array Geometries for Biosensing

Background: Molecular diagnostics provide early and accurate diagnosis, which is essential for the prevention and treatment of infectious as well as chronic diseases. These tests are designed to detect disease-specific bioanalytes such as nucleic acid (DNA or RNA) or protein (antigens, antibodies) biomarkers. In the context of infectious disease diagnosis, nucleic acid-based detection methods are known to provide more specific and sensitive results. Here, the presence of a unique sequence belonging to the pathogenic genomic material is targeted to identify species, organism, genera and/or antimicrobial resistant gene markers. The majority of the common nucleic acid based diagnostic techniques require amplification (polymerase chain reaction, isothermal amplification etc.) of the pathogenic genetic material prior to detection impacting diagnostic speed, complexity, and cost thereby limiting ease of use. Thus, the development of simplified nucleic acid-based diagnostics that can be even used in resource-poor settings may hugely benefit patients across the globe. Nanopath is a molecular diagnostics company utilizing a solid-state nanosensor to enable sequence-specific detection of target nucleic acids without the need of amplification. These nanostructures enable ultra-sensitive biomarker detection using geometric, feature-dependent properties highly dependent on the local dielectric environment, allowing them to be sensitive to low concentration binding events. This paper describes an application of this approach to provide highly relevant clinical information within a single doctor’s office visit. Intro: The Nanopath team is in collaboration with NASA (National Aeronautics and Space Administration) and NIST (National Institute of Standards and Technology) to push the bounds of the fundamental physics associated with their biosensing platform. The ability of metals to support electromagnetic surface waves gives rise to surface plasmons when optically illuminated. This property, and its strong sensitivity to changes in the local refractive index, allows for the use of metal nanoparticles as ultra-sensitive transducers. In prior work by members of this team, ensembles of randomly oriented nanoparticles (i.e., colloidal nanorods dispersed on chip) were employed for sequence-specific nucleic acid sensing (1-3). While these particle sensors have the advantage of rapid fabrication, they suffer from low sensitivity and quality factor due to the random particle dispersity. In contrast, in this study we employ ordered array nanoparticle ensembles which can be used to improve sensor sensitivity and figure-of-merit. Study Methods Overview: In this talk, we detail the results of sensing experiments and computational simulations to outline a rational design of the structure of these plasmonic nanoparticle arrays for biomolecular sensing. Through simulation and experiment, we iteratively tailor nanostructure dimension to provide high quality signal and large resonance shifts upon modeled nucleic acid binding. In particular, full-wave electromagnetic simulations were conducted using Lumerical photonic simulation software in which periodic boundary conditions were applied in the x- and y- dimensions for each of the nanoplasmonic sensor geometries. To simulate the resonance response to changes in the bulk solution in contact with the sensor surface, the refractive index of the surrounding media was changed appropriately. Nucleic acid hybridization events were modeled using either using spherical structures approximating the relevant radius of genomic material as estimated by polymer models, or as conformal layers with the known refractive indices for nucleic acids. On the basis of initial simulations, nanosensors were fabricated using traditional electron-beam lithography protocols at NIST. To evaluate consensus between simulations and experiments, bulk sensing experiments were carried out in which the resonance peaks were obtained by submerging the sensors in refractive index standards. Key nanosensor characteristics including resonance peak locations, resonance peak shifts as a function of refractive index, and figure of merit (FOM) of extinction curves were examined between the experimental and simulation results prior to proceeding with simulations on additional geometries and more complex solution conditions, and further device fabrication. This iterative process is repeated toward a rational design of nanoplasmonic array geometries for biosensing optimizing response for targeted disease detection. In summary, this study puts forth a methodology for rational design and characterization of regularly spaced nanoparticle arrays for optics-based biosensing. The results of this study will allow for more informed design of nanostructure geometries towards sequence-specific nucleic acid detection. These improved designs have the potential to improve clinical sensitivity and limit-of-detection across disease indication.

sensor↗