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NASA NTRS2005

Advanced Joining Technology: Simple, Strong, and Secure

The space-age materials that NASA employs in its spacecraft and satellites have different attributes than the building materials that can work for Earthly uses. These materials do not behave like the typical construction materials, and therefore, require new methods for construction. Work done at NASA s Langley Research Center in the realm of active solder joining has led to a new, self-bonding solder that enables high conductivity, as well as the metallic joining of carbon and ceramic materials to a wide range of metals. The original work involved evaluating high- and low-temperature joining technologies for joining carbon composite structures for use in thermal management and reusable launch vehicles. The initial plan for this innovation was to lower the weight of battery packs in satellites. It was a success. NASA scientists found use for this technology in fabricating a thermal management package for battery compartments in the Earth Observing System (EOS) satellites, but it is also being used by the Agency for space radiator panels. Because it is light, simple to use, and economical, NASA will likely find other uses for this solder, just as outside of the Space Agency, this unique bond is finding many practical applications.

Source record↗

DOE OSTI2022

Quashing a suspected selection bias in galaxy samples having dynamically measured supermassive black holes

Local early-type galaxies (ETGs) with directly measured black hole masses, M bh , have been reported to represent a biased sample relative to the ETG population at large. Such galaxies with Spitzer Space Telescope imaging have been purported to possess velocity dispersions, σ, at least ∼0.1 dex larger for a given galaxy stellar mass, M * , gal , than is typically observed among thousands of ETGs imaged by the Sloan Digital Sky Survey (SDSS). This apparent offset led Shankar et al. to reduce the normalisation of the observed M bh ∝ σ 5 relation by at least ∼0.5 dex to give their ‘intrinsic relations’, including σ-based modifications to the observed M bh –M * , gal relation. These modifications were based on the untested assumption that the stellar masses had been derived consistently between the two samples. Here, we provide the necessary check using galaxies common to the Spitzer Survey of Stellar Structure in Galaxies (S 4 G) and the SDSS. We find that the stellar masses of galaxies with and without directly measured black hole masses had appeared offset from each other due to the use of inconsistent stellar mass-to-light ratios, Υ * , for the optical and infrared data. We briefly discuss the ‘intrinsic relations’ and why some of these will at times appear to have had partial success when applied to data based on similarly inconsistent values ofΥ * . Finally, we reiterate the importance of the υ (lower-case Υ) term, which we previously introduced into the M bh –M * relations to help avoid Υ * -related mismatches.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2005

Two-Photon Fluorescence Microscope for Microgravity Research

A two-photon fluorescence microscope has been developed for the study of biophysical phenomena. Two-photon microscopy is a novel form of laser-based scanning microscopy that enables three-dimensional imaging without many of the problems inherent in confocal microscopy. Unlike one-photon optical microscopy, two-photon microscopy utilizes the simultaneous nonlinear absorption of two near-infrared photons. However, the efficiency of two-photon absorption is much lower than that of one-photon absorption, so an ultra-fast pulsed laser source is typically employed. On the other hand, the critical energy threshold for two-photon absorption leads to fluorophore excitation that is intrinsically localized to the focal volume. Consequently, two-photon microscopy enables optical sectioning and confocal performance without the need for a signal-limiting pinhole. In addition, there is a reduction (relative to one-photon optical microscopy) in photon-induced damage because of the longer excitation wavelength. This reduction is especially advantageous for in vivo studies. Relative to confocal microscopy, there is also a reduction in background fluorescence, and, because of a reduction in Rayleigh scattering, there is a 4 increase of penetration depth. The prohibitive cost of a commercial two-photon fluorescence-microscope system, as well as a need for modularity, has led to the construction of a custom-built system (see Figure 1). This system includes a coherent mode-locked titanium: sapphire laser emitting 120-fs-duration pulses at a repetition rate of 80 MHz. The pulsed laser has an average output power of 800 mW and a wavelength tuning range of 700 to 980 nm, enabling the excitation of a variety of targeted fluorophores. The output from the laser is attenuated, spatially filtered, and then directed into a confocal scanning head that has been modified to provide for side entry of the laser beam. The laser output coupler has been replaced with a dichroic filter that reflects the longer-wavelength excitation light and passes the shorter-wavelength fluorescence light. Also, the confocal pinhole has been removed to increase the signal strength. The laser beam is scanned by a twoperpendicular- axis pair of galvanometer mirrors through a pupil transfer lens into the side port of an inverted microscope. Finally, the beam is focused by a 63-magnification, 1.3-numerical- aperture oil-immersion objective lens onto a specimen. The pupil transfer lens serves to match the intermediate image planes of the scanning head and the microscope, and its location is critical. In order to maximize the quality of the image, (that is, the point spread function of the objective lens for all scan positions), the entire system was modeled in optical-design software, and the various free design parameters (the parameters of the spatial-filter components as well as the separations of all of the system components) were determined through an iterative optimization process. A modular design was chosen to facilitate access to the optical train for future fluorescence correlation spectroscopy and fluorescence-lifetime experiments.

Fischer, David G.↗

NASA NTRS2017

Tutorial for Collecting and Processing Images of Composite Structures to Determine the Fiber Volume Fraction

Fiber-reinforced composite structures have become more common in aerospace components due to their light weight and structural efficiency. In general, the strength and stiffness of a composite structure are directly related to the fiber volume fraction, which is defined as the fraction of fiber volume to total volume of the composite. The most common method to measure the fiber volume fraction is acid digestion, which is a useful method when the total weight of the composite, the fiber weight, and the total weight can easily be obtained. However, acid digestion is a destructive test, so the material will no longer be available for additional characterization. Acid digestion can also be difficult to machine out specific components of a composite structure with complex geometries. These disadvantages of acid digestion led the author to develop a method to calculate the fiber volume fraction. The developed method uses optical microscopy to calculate the fiber area fraction based on images of the cross section of the composite. The fiber area fraction and fiber volume fraction are understood to be the same, based on the assumption that the shape and size of the fibers are consistent in the depth of the composite. This tutorial explains the developed method for optically determining fiber area fraction performed at NASA Langley Research Center.

Conklin, Lindsey↗

NASA NTRS1999

Teflon FEP Analyzed After Retrieval From the Hubble Space Telescope

During the Hubble Space Telescope (HST) Second Servicing Mission, 6.8 years after the telescope was deployed in low Earth orbit, degradation of unsupported Teflon FEP (DuPont; fluorinated ethylene propylene), used as the outer layer of the multilayer insulation (MLI) blankets, was evident as large cracks on the telescope light shield. A sample of the degraded outer layer (see the photograph) was retrieved during the second servicing mission and returned to Earth for ground testing and evaluation. Also retrieved was a Teflon FEP radiator surface from a cryogen vent cover that was exposed to the space environment on the aft bulkhead of the HST. NASA Goddard Space Flight Center directed the efforts of the Hubble Space Telescope MLI Failure Review Board, whose goals included determining the FEP degradation mechanisms. As part of the investigations into the degradation mechanisms, specimens retrieved from the first and second HST servicing missions, 3.6 and 6.8 years after launch, respectively, were characterized through exhaustive mechanical, optical, and chemical testing. Testing led by Goddard included scanning electron microscopy, optical microscopy, tensile testing, solar absorptance measurements, time-of-flight secondary ion mass spectroscopy (TOF-SIMS), Fourier transform infrared microscopy (m-FTIR), attenuated total reflectance infrared microscopy (ATR/FTIR), and x-ray diffraction (XRD). The NASA Lewis Research Center contributed significantly to the analysis of the retrieved HST materials by leading efforts and providing results of bend testing, surface microhardness measurements, x-ray photoelectron spectroscopy, solid-state nuclear magnetic resonance spectroscopy, and density measurements. Other testing was conducted by Nano Instruments, Inc., and the University of Akron.

Dever, Joyce A.↗

NASA NTRS2016

First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

Michael I Mishchenko↗

NASA NTRS2018

UV Shielding of Bacillus pumilus SAFR-032 Endospores by Martian Regolith Simulants

As exploration of the solar system advances with life detection missions on the horizon, the concern for planetary protection has grown considerably. When attempting to detect extraterrestrial life, the likelihood of false positives from terrestrial contamination must be minimized. The Exposing Microorganisms in the Stratosphere (E-MIST) balloon project aims to evaluate whether resilient terrestrial bacteria can survive stressors in a Mars-like environment. This is accomplished by sending Bacillus pumilus SAFR-032, an endospore-forming bacterial isolate from a spacecraft assembly facility, to the Earth's middle stratosphere (30-38 kilometers), where low temperature and pressure and high radiation and dryness conditions are similar to the surface of Mars. Previous ground and flight tests showed that the vast majority of SAFR-032 spores (99.99 percent) were inactivated by direct sunlight due to ultraviolet (UV) radiation. This observation led us to explore the role of dust shielding in changing microbial survivorship outcomes. To determine the dust particle distributions and density for potentially shielding microbes from UV radiation, samples of a Martian dust simulant were mixed with SAFR-032 spores. The dry heat sterilized simulant used was JSC MARS-1, weathered volcanic ash from Hawaii that displays many chemical and physical properties similar to the Martian soil as characterized by the Viking Lander 1, including reflectance spectrum, chemical composition, mineralogy, grain size, specific gravity, and magnetic properties. First, scanning electron microscopy was undertaken to visualize the aggregation of the spores with dust particles (i.e., shading effects), and samples of varying dust concentrations were subsequently irradiated with UVC light to test survivorship outcomes. After a relationship between dust concentration and spore survivorship was determined, a solar simulator capable of irradiating samples with a fuller UV spectrum (less than 280-400 nanometers) was used to perform a more robust middle stratosphere simulation. Taken together, we will use results from the ground-based irradiation studies to feed into experimental designs for the next E-MIST ultra-long duration polar balloon flight launched by NASA.

Stratosphere↗

NASA NTRS1991

Lessons learned for composite structures

Lessons learned for composite structures are presented in three technology areas: materials, manufacturing, and design. In addition, future challenges for composite structures are presented. Composite materials have long gestation periods from the developmental stage to fully matured production status. Many examples exist of unsuccessful attempts to accelerate this gestation period. Experience has shown that technology transition of a new material system to fully matured production status is time consuming, involves risk, is expensive and should not be undertaken lightly. The future challenges for composite materials require an intensification of the science based approach to material development, extension of the vendor/customer interaction process to include all engineering disciplines of the end user, reduced material costs because they are a significant factor in overall part cost, and improved batch-to-batch pre-preg physical property control. Historical manufacturing lessons learned are presented using current in-service production structure as examples. Most producibility problems for these structures can be traced to their sequential engineering design. This caused an excessive emphasis on design-to-weight and schedule at the expense of design-to-cost. This resulted in expensive performance originated designs, which required costly tooling and led to non-producible parts. Historically these problems have been allowed to persist throughout the production run. The current/future approach for the production of affordable composite structures mandates concurrent engineering design where equal emphasis is placed on product and process design. Design for simplified assembly is also emphasized, since assembly costs account for a major portion of total airframe costs. The future challenge for composite manufacturing is, therefore, to utilize concurrent engineering in conjunction with automated manufacturing techniques to build affordable composite structures. Composite design experience has shown that significant weight savings have been achieved, outstanding fatigue and corrosion resistance have been demonstrated, and in-service performance has been very successful. Currently no structural design show stoppers exist for composite structures. A major lesson learned is that the full scale static test is the key test for composites, since it is the primary structural 'hot spot' indicator. The major durability issue is supportability of thin skinned structure. Impact damage has been identified as the most significant issue for the damage tolerance control of composite structures. However, delaminations induced during assembly operations have demonstrated a significant nuisance value. The future challenges for composite structures are threefold. Firstly, composite airframe weight fraction should increase to 60 percent. At the same time, the cost of composite structures must be reduced by 50 percent to attain the goal of affordability. To support these challenges it is essential to develop lower cost materials and processes.

Whitehead, R. S.↗

NASA NTRS2017

Significant and Variable Linear Polarization During the Prompt Optical Flash of GRB 160625B

Measurement of polarized light provides a direct probe of magnetic fields in collimated outflows (jets) of relativistic plasma from accreting stellar-mass black holes at cosmological distances. These outflows power brief and intense flashes of prompt gamma-rays known as Gamma Ray Bursts (GRBs), followed by longer-lived afterglow radiation detected across the electromagnetic spectrum. Rapid-response polarimetric observations of newly discovered GRBs have probed the initial afterglow phase. Linear polarization degrees as high as Π∼30% are detected minutes after the end of the prompt GRB emission, consistent with a stable, globally ordered magnetic field permeating the jet at large distances from the central source. In contrast, optical and gamma-ray observations during the prompt phase led to discordant and often controversial results, and no definitive conclusions on the origin of the prompt radiation or the configuration of the magnetic field could be derived. Here we report the detection of linear polarization of a prompt optical flash that accompanied the extremely energetic and long-lived prompt gamma-ray emission from GRB 160625B. Our measurements probe the structure of the magnetic field at an early stage of the GRB jet, closer to the central source, and show that the prompt GRB phase is produced via fast cooling synchrotron radiation in a large-scale magnetic field advected from the central black hole and distorted from dissipation processes within the jet.

High-energy astrophysics↗

NASA NTRS2017

Significant and Variable Linear Polarization During the Prompt Optical Flash of GRB 160625B

High-energy astrophysics↗

DOE OSTI2024

Enhancement of terahertz fields in LiTaO 3 waveguides using a conical pulse front

The development of methods for the generation of strong ultrafast electromagnetic pulses in the terahertz (THz) spectral range has led to a surge of progress in nonlinear THz spectroscopy and THz control of molecular and collective responses. For spectroscopy in the 1-THz range, the submillimeter wavelengths and associated large spot sizes, large optical elements, and short distances between final focusing elements and samples can lead to cumbersome experimental setups that are incompatible with some sample environments. Here, we introduce a novel terahertz ring excitation (TREx) optical pumping geometry to generate superposing, focusing fields in planar THz waveguides made out of the electro-optic material lithium tantalate. High THz fields, >175 kV/cm, are generated and measured optically with no free-space THz propagation. The field level achieved by pumping with a sequence of concentric rings of excitation light exceeds by about 20× the result of a single cylindrically focused line of pump light that has been used routinely in previous work. The technique opens new prospects for compact waveguide-based linear and nonlinear THz spectroscopy and signal processing.

47 OTHER INSTRUMENTATION↗

NASA NTRS2003

X-Ray Testing Constellation-X Optics at MSFC's 100-m Facility

In addition to the 530-m-long X-Ray Calibration Facility (XRCF), NASA's Marshall Space Flight Center (MSFC) operates a 104-m-long (source-to-detector) X-ray-test facility. Originally developed and still occasionally used for stray-light testing of visible-fight optical systems, the so-called "Stray-Light Facility" now serves primarily as a convenient and inexpensive facility for performance evaluation and calibration of X-ray optics and detectors. The facility can accommodate X-ray optics up to about 1-m diameter and 12-m focal length. Currently available electron-impact sources at the facility span the approximate energy range 0.2 to 100 keV, thus supporting testing of soft- and hard-X-ray optics and detectors. Available MSFC detectors are a front-illuminated CCD (charge-coupled device) and a scanning CZT (cadmium--zinc--telluride) detector, with low-energy cut-offs of about 0.8 and 3 keV, respectively. In order to test developmental optics for the Constellation-X Project, led by NASA's Goddard Space Flight Center (GSFC), MSFC undertook several enhancements to the facility. Foremost among these was development and fabrication of a five-degree-of-freedom (5-DoF) optics mount and control system, which translates and tilts the user-provided mirror assembly suspended from its interface plate. Initial Constellation-X tests characterize the performance of the Optical Alignment Pathfinder Two (OAP2) for the large Spectroscopy X-ray Telescope (SXT) and of demonstration mirror assemblies for the Hard X-ray Telescope (HXT). With the Centroid Detector Assembly (CDA), used for precision alignment of the Chandra (nee AXAF) mirrors, the Constellation-X SXT Team optically aligned the individual mirrors of the OAPZ at GSFC. The team then developed set-up and alignment procedures, including transfer of the alignment from the optical alignment facility at GSFC to the X-ray test facility at MSFC, using a reference flat and fiducials. The OAPZ incorporates additional ancillary features --- fixed aperture mask and movable sub-aperture mask --- to facilitate X-ray characterization of the optics. Although the OAPZ was designed to- have low sensitivity to temperature offsets and gradients, analyses showed the necessity of active temperature control for the X-ray performance testing. Thus, the Smithsonian Astrophysical Observatory (SAO) implemented a thermal control and monitoring system, designed to hold the OAP2 close to its assembly.

O'Dell, Stephen↗

DOE OSTI2026

Heavy-Duty Nonroad Material Handler Electrification Part 2: Energy Efficiency and Performance Evaluation

Decarbonization efforts achieved through electrification in nonroad mobile machinery can realize a reduction in fuel consumption of more than 20%, thanks to concepts familiar to light-duty passenger vehicles. This case study compares the results of a hybrid-electric material handler to its conventional counterpart, utilizing machine-specific drive cycles presented in part one of this paper series. The hybrid prototype features an extended-range electric vehicle (EREV) powertrain that demonstrated substantial energy efficiency improvements. Specifically, there was a reduction in equivalent fuel consumption of 75% when operating in electric-only mode, and 33% when maintaining the battery by charging with an on-board generator. Together, the efficiency improvements can be extrapolated over a low-intensity, 8-h shift characterized by significant idle time and highly dynamic engine load for a 47% reduction in net energy consumption. Key technologies that led to this improvement included engine downsizing and decoupling, regenerative braking, and an electrohydraulic pump unit with advanced controls. Finally, his study explains details of the powertrain architecture and subsystems that were implemented on a demonstration vehicle, control strategies used to meet project goals, and an analysis of energy consumption from testing on a closed course. Also included in this study is a discourse on comparison metrics that can be used for quantifying the energy consumption differences between hybrid-electric and conventional diesel powertrains in nonroad mobile machinery.

25 ENERGY STORAGE↗

NASA NTRS2010

Engineering a Solution to Jupiter Exploration

The Europa Jupiter System Mission (EJSM) would be an international mission with the overall theme of investigating the emergence of habitable worlds around gas giants. Its goals are to (1) explore Europa to investigate its habitability, (2) characterize Ganymede as a planetary object including its potential habitability and (3) explore the Jupiter system as an archetype for gas giants. NASA and ESA have concluded a detailed joint study of a mission to Europa, Ganymede, and the Jupiter system with conceptual orbiters developed by NASA and ESA. The baseline EJSM architecture consists of two primary elements operating simultaneously in the Jovian system: the NASA-led Jupiter Europa Orbiter (JEO), and the ESA-led Jupiter Ganymede Orbiter (JGO). JEO and JGO would execute an intricately choreographed exploration of the Jupiter System before settling into orbit around Europa and Ganymede, respectively. EJSM would directly address themes concerning the origin and evolution of satellite systems and water-rich environments in icy satellites. The potential habitability of the ocean-bearing moons Europa and Ganymede would be investigated, by characterizing the geophysical, compositional, geological, and external processes that affect these icy worlds. EJSM would also investigate Io and Callisto, Jupiter's atmosphere, and the Jovian magnetosphere. By understanding the Jupiter system and unraveling its history, the formation and evolution of gas giant planets and their satellites would be better known. Most importantly, EJSM would shed new light on the potential for the emergence of life in the celestial neighborhood and beyond. The EJSM baseline architecture would provide opportunities for coordinated synergistic observations by JEO and JGO of the Jupiter and Ganymede magnetospheres, the volcanoes and torus of Io, the atmosphere of Jupiter, and comparative planetology of icy satellites. Each spacecraft would conduct both synergistic dual-spacecraft investigations and stand-alone measurements toward the overall mission theme and goals.

Clark, Karla↗

NASA NTRS2021

KMT-2021-BLG-0322: Severe Degeneracy Between Triple-lens and Higher-order Binary-lens Interpretations

We investigate the microlensing event KMT-2021-BLG-0322, for which the light curve exhibits three distinctive sets of caustic-crossing features. It is found that the overall features of the light curve are approximately described by a binary-lens (2L1S) model, but the model leaves substantial residuals. We test various interpretations with the aim of explaining the residuals. Methods. We find that the residuals can be explained either by considering a nonrectilinear lens-source motion caused by the microlens-parallax and lens-orbital effects or by adding a low-mass companion to the binary lens (3L1S model). The degeneracy between the higher-order 2L1S model and the 3L1S model is very severe, making it difficult to single out a correct solution based on the photometric data. This degeneracy was known before for two previous events (MACHO-97-BLG-41 and OGLE-2013-BLG-0723),which led to the false detections of planets in binary systems, and thus the identification of the degeneracy for KMT-2021-BLG-0322illustrates that the degeneracy can be not only common but also very severe, emphasizing the need to check both interpretations of deviations from 2L1S models. Results. From the Bayesian analysis conducted with the measured lensing observables of the event timescale, angular Einstein radius, and microlens parallax, it was estimated that the binary lens components have masses(M1,M2)=(0.62+0.25−0.26M,0.07+0.03−0.03M), for both2L1S and 3L1S solutions, and the mass of the tertiary lens component according to the 3L1S solution isM3=6.40+2.64−2.78MJ.

Gravitational lensing: micro↗

DOE OSTI2026

Texture Evolution of Plated Lithium in Anode-Free Solid-State Batteries

Here, this study investigates lithium plating texture in anode-free solid-state batteries using synchrotron-based X-ray diffraction. Conventional methods are limited by lithium’s low electron density and softness, which hinders direct interrogation in anode-free solid-state batteries. Results reveal that lithium plating texture is influenced by temperature and current density. Under mild conditions, lithium exhibited a ⟨110⟩ fiber texture. However, higher current densities and elevated temperatures led to a more randomized orientation, suggesting a dependence on plating conditions. The results highlight how the operating and processing conditions for lithium metal can influence the texture of lithium metal and reversible operation.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Development of an Optimized Gasoline Surrogate Formulation for PACE Experiments and Simulations

New powertrain solutions are needed to address societal challenges stemming in part from a transportation sector which relies heavily on combustion of conventional hydrocarbon fuels like gasoline. One way to advance new solutions is through predictive simulations. Predictive simulations can potentially limit the extent of experimental validations, reduce time spent in engineering design cycles, unlock new strategies for high efficiency combustion with power density, and minimize tailpipe emissions. However, the simulation tools currently available are either too computationally expensive, inadequate in their accuracy, or a combination of the two. A DOE-funded consortium of national laboratories called the Partnership to Advance Combustion Engines (PACE) seeks to address this gap by rapidly delivering new knowledge and tools which enable market-competitive powertrain solutions for light-duty vehicles. Approaches to modeling combustion in powertrain systems typically incorporate computational fluid dynamics (CFD) simulations with chemical kinetic models. These CFD simulations generally use surrogate fuels featuring a limited number of existing components in a reduced kinetic model to limit computational costs. Such surrogate fuels often sacrifice matching several or more combustion and physical properties of the target gasoline fuel. Validation of surrogate fuels is also often only pursued for a small subset of standard metrics such as research or motor octane number (RON, MON). The purpose of this project is to develop an optimal E10 gasoline surrogate fuel suitable for tasks across PACE to facilitate rapid common analysis and progression toward consortium goals. This project received contributions from tasks led by eight PACE principal investigators. The project funding here reflects all tasks under Pitz, whose tasks also contributed to additional PACE projects. Based on the optimal gasoline surrogate fuel composition, a reduced chemical kinetic model will be shared with PACE researchers, industry, and the broader combustion community.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Tip-Enhanced Raman Scattering on Both Sides of the Schrödinger Equation

We report historically, molecular spectroscopists have focused their attention to the right-hand side of the Schrödinger equation. Our major goal had and still has to do with determining a (bio)molecular system’s Hamiltonian operator. From a theoretical spectroscopist’s perspective, this entails varying the parameters of a model Hamiltonian until the predicted observables agree with their experimental analogues. In this context, less emphasis has been put on the left-hand side of the equation, where the interplay between a system and its immediate local environment is described. The latter is particularly meaningful and informative in modern applications of optical microscopy and spectroscopy that take advantage of surface plasmons to enhance molecular scattering cross-sections and to increase the attainable spatial resolution that is classically limited by diffraction. Indeed, the manipulation of light near the apex of a metallic nanotip has enabled single molecule detection, identification, and imaging. The distinct advantages of the so-called tip-enhanced optical nanospectroscopy/nanoimaging approaches are self-evident: ultrahigh spatial resolution (nanometer or better) and ultimate sensitivity (down to yoctomolar) are both attainable, all while retaining the ability to chemically fingerprint one molecule at a time (e.g., through Raman scattering). An equally interesting aspect of the same approach stems from using the properties of a single molecule to characterize the local environment in which it resides. This concept of single molecule spectroscopy on the left-hand side of the Schrödinger equation is certainly not novel and has been discussed in pioneering single molecule studies that ultimately led to a Nobel prize in chemistry. That said, local environment mapping through ultrasensitive optical spectroscopy acquires a unique flavor when executed using tip-enhanced Raman scattering (TERS). This is the subject of this Account.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗