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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Advanced Image Reconstruction for MCP Detector in Event Mode

A two-step data reduction framework is proposed in this study to reconstruct a radiograph from the data collected with a micro-channel plate (MCP) detector operating under event mode. One clustering algorithm and three neutron event back-tracing models are proposed and evaluated using both example data and a full scan data. The reconstructed radiographs are analyzed, the results of which are used to suggest future development.

Zhang, Chen↗
DOE OSTI2021

Time-dependent experimental identification of inter-ELM microtearing modes in the tokamak edge on DIII-D

In a series of discharges on the DIII-D tokamak, fast vertical plasma jogs are used to induce current perturbations in the steep gradient region of the H-mode edge. These current perturbations directly influence the edge q profile, decoupling the resonant location and instability drive of pedestal-localized microtearing modes (MTMs.) By exploiting this effect, we develop and apply a new experimental technique to track the dynamical frequency evolution of MTMs in the pedestal region, providing a compelling validation of the MTM model. The frequency of potential MTMs is calculated as the Doppler-shifted electron diamagnetic frequency at rational q=m/n surfaces, showing remarkable agreement with chirped frequency behavior of n=3, 4 and 5 modes detected with fast magnetics. Data is collected throughout multiple ELM cycles in order to build robust statistics describing the time-dependent frequency evolution of MTMs, which can be explained by examining the recovery of pedestal gradients after an ELM event. MTMs have a dominant transport contribution in the electron thermal channel, so the presented results indicate that reduced models of pedestal transport must be electromagnetic in nature and constructed with accurate calculations of MTM stability; inclusion of this physics is essential for accurate predictions of the electron temperature pedestal profile. Supporting measurements of mode saturation, propagation direction and transport fingerprints are made to support the dynamic frequency determination, unambiguously and experimentally identifying MTMs in the pedestal region of DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Freewheeling: What Six Locations, 61,000 Trips, and 242,000 Miles in Colorado Reveal about How E-Bikes Improve Mobility Options

Personal micromobility modes such as bicycles, e-bikes and scooters offer low- or zero-emission transportation alternatives to single occupancy vehicles (SOVs). However, the lack of supporting data has led to a dearth of data-driven research on the usage of personally owned e-bikes, including variations due to weather, geography and demographics. In this paper, we present an overview of the longitudinal findings from the CanBikeCO program, focused on e-bike adoption and use rates across different demographics, trip characteristics, and geographies. The CanBikeCO program recorded travel survey data from late July 2021 to December 31, 2022, from low-income Colorado households who were provided with e-bikes for personal use by the Colorado Energy Office (CEO). This data was collected in six different communities across Colorado following the mini-pilot program that was conducted in Fall 2020. To collect data for the survey, the program used the NREL OpenPATH application, which combines passive data collection with semantic information such as trip mode and purpose labels. To the best of our knowledge, there is no prior travel survey data on personally owned e-bikes with this range and scope. This unique dataset yielded several insights. One is that commute trips among participants had nearly 17% higher shares of e-bikes than all trips combined. E-bikes were stated to most often replace cars (34% of e-bike trips) and personal micromobility (22%). Participants favored walking for trips less than 1 mile, e-bikes for trips 1-3 miles, and e-bikes, cars or shared rides for trips 3-20 miles. Seasonality accounted for a 10% decrease and subsequent recovery in e-bike mileage on a per user basis. E-bikes are also appealing across age groups, even among older individuals, and see decreased utilization similar to regular bikes or walking during winter months. We also find that e-bike use may be related to characteristics of land use and urban form, occupation and income as well as household car ownership. We conclude that, for this population, who are mainly part of low-income households, the emissions added by the use of e-bikes (in the case of replacement of non-motorized modes) are outweighed by the strong single occupancy vehicle (SOV) travel replacement. As a whole, our findings suggest a considerable potential for energy savings and emissions reductions from personal e-bike ownership.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Ganged-PV System Evaluation

The following report contains data and data summaries collected for the SkySun LLC elevated Ganged PV arrays. These arrays were fabricated as a series of PV panels in various orientations, suspended by cables, at the National Solar Thermal Test Facility (NSTTF) at Sandia National Laboratories (SNL). Starting in February of 2021, Sandia personnel have collected power and accelerometer data for these arrays to assess design and operational efficacy of varying ganged- PV configurations. The purpose of this power data collection was to see how the various array orientations compare in power collection capability depending on the time of day, year, and the specific daily solar direct normal irradiance (DNI). The power data was collected as a measurement of the power output from the various series strings. The project team measured direct current (DC) voltage and current from the respective arrays. The accelerometer data was collected with the purpose of demonstrating potential destructive mode shapes that could take place with each of the arrays when exposed to high winds. This allowed the team to evaluate whether impacts with respect to specific array orientations using suspended cables is a safe design. All data collection was performed during calendar year 2021.

14 SOLAR ENERGY↗
DOE OSTI2021

A vertically-loaded diamond microdisk resonator spin-photon interface

We propose and optimize a vertically-loaded diamond microdisk resonator (VLDMoRt) coupled to a nitrogen-vacancy (NV) center in diamond for efficient collection of zero-phonon-line emission into low numerical aperture (NA) free-space modes. The VLDMoRt achieves a Purcell enhancement of 172 with 39% of the emitted light collected within a NA of 0.6, leading to a total external spin-photon collection efficiency of 0.33. As the design is compatible with established nanofabrication techniques and couples to low-NA modes accessible by cryogenic free-space optical systems, it is a promising platform for efficient spin-photon interfaces based on diamond quantum emitters.

42 ENGINEERING↗
DOE OSTI2024

A Data-Driven Exploration of the Impact of Renewable Energy on Inter-Area Oscillations in the U.S. Eastern Interconnection

As increasing amounts of renewable energy (RE) resources are incorporated into the bulk-power grid, power system oscillations are expected to change. This work investigates how RE generation impacts the frequency and damping ratio (DR) of two dominant inter-area modes in the U.S. Eastern Interconnection (EI) using regularly updated estimates collected over a 12-month period. Quantile regression is used to derive the correlation between operating conditions and mode properties, and a bootstrap method is used to quantify the uncertainty associated with the correlation estimates. Results show that with an increase in system load, the frequency of a mode decreases and DR increases. Evidence that increasing RE generation results in an increase in frequency and decline in DR was found for one of the two modes studied. This work shows that increasing RE levels will impact the properties of inter-area oscillations in the EI, but it does not indicate the presence of immediate threats to grid stability. The outlined approach can be used to periodically assess changing mode properties as RE levels continue to grow and flag stability concerns before they become serious reliability threats.

Inter-area oscillation, mode meters, quantile regr↗
DOE OSTI2026

Oscillatory and Collective Dynamics of Gold‐Nanoparticle‐Laden Droplets Driven by Photothermal‐Induced Thermocapillarity

Droplets have long intrigued researchers due to their ability to exhibit complex and fascinating behavior when subjected to external stimuli. Here, a coupled oscillatory behavior of gold-nanoparticle-surfactant-laden aqueous droplets is investigated at an oil-oil interface stimulated by light. This study shows that the interaction between light and the droplets gives rise to a range of oscillatory modes, including bouncing and clustering, where droplets exhibit collective movement. From experiment and numerical simulations, this study elucidates the underlying mechanism: upon laser irradiation, gold nanoparticles convert light into heat, generating asymmetric thermal gradients that drive upward thermocapillary flows and a hydrodynamic force from photothermal convection. These forces compete with gravity and buoyancy to induce droplet bouncing, while the resulting asymmetric flow fields bias neighboring droplets toward the illuminated droplet, leading to clustering. These findings not only expand the library of dynamic droplet behavior but also offer insights into the potential applications of light-driven systems in materials science, soft robotics, and microfluidics.

Marangoni effect↗
DOE OSTI2024

Structural Trends and Vibrational Analysis of N,N,N′,N′−Tetramethylmalonamide Complexes Across the Lanthanide Series

Fundamental understanding of coordination chemistry across the lanthanide series is essential for explaining chemical behavior of rare-earth metals in complex liquid-liquid extraction processes, which in turn affects the distribution ratios and efficacy of separations as a whole. In this work, we explore the structural trends between the lanthanides and a neutral N,N,N',N'-tetramethylmalonamide (TMMA) ligand within four isolated families of solid-state compounds: Ln(trans-TMMA) 2 (NO 3 ) 3 Ln=La-Nd, Sm; Ln(cis-TMMA) 2 (NO 3 ) 3 Ln=Eu-Tb, Er; [Ln(TMMA) 3 (NO 3 ) 2 ][Ln(TMMA)(NO 3 ) 4 ] Ln=Dy-Tm; Ln(Κ 2 -TMMA)(iPrOH)(NO 3 ) 3 and Ln(Κ 1 -TMMA)(Κ 2 -TMMA)(NO 3 ) 3 Ln=Yb, Lu. Moving across the lanthanide series, we note the formation of both discrete charge-neutral complexes, as well as charged molecular anion-cation pairs, with variations in spatial ligand arrangement, coordination numbers, and ligand denticities. IR and Raman spectroscopy paired with DFT frequency calculations were used for an in-depth investigation of vibrational modes unique to each structural family. The collection of isolated model compounds was also discussed in the context of liquid-liquid separations based on reported distribution ratios from malonamide extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Measurements of top-quark pair single- and double-differential cross-sections in the all-hadronic channel in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV using the ATLAS detector

Differential cross-sections are measured for top-quark pair production in the all-hadronic decay mode, using proton-proton collision events collected by the ATLAS experiment in which all six decay jets are separately resolved. Absolute and normalised single- and double-differential cross-sections are measured at particle and parton level as a function of various kinematic variables. Emphasis is placed on well-measured observables in fully reconstructed final states, as well as on the study of correlations between the top-quark pair system and additional jet radiation identified in the event. The study is performed using data from proton-proton collisions at s = 13 TeV collected by the ATLAS detector at CERN’s Large Hadron Collider in 2015 and 2016, corresponding to an integrated luminosity of 36.1 fb - 1 . The rapidities of the individual top quarks and of the top-quark pair are well modelled by several independent event generators. Significant mismodelling is observed in the transverse momenta of the leading three jet emissions, while the leading top-quark transverse momentum and top-quark pair transverse momentum are both found to be incompatible with several theoretical predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Study of $\mathrm{B}_{c}^{+}$ decays to charmonia and three light hadrons

Using proton-proton collision data, corresponding to an integrated luminosity of 9 fb -1 collected with the LHCb detector, seven decay modes of the $B^+_c$ meson into a $J/ψ$ or $ψ(2S)$ meson and three charged hadrons, kaons or pions, are studied. The decays $B^+_c$ → $(ψ(2S)$ →J/$ψπ^+π^-$)$π^+$, $B^+_c$→$ψ(2S)π^+π^-π^+, B^+_c$→ J/$ψK^+π^-π^+$ and $B^+_c$ → J/$ψK^+K^-K^+$ are observed for the first time, and evidence for the $B^+_c$ →$ψ(2S)K^+K^-π^+$, decay is found, where J/ψ and $(ψ(2S)$ mesons are reconstructed in their dimuon decay modes. The ratios of branching fractions between the different $B^+_c$ decays are reported as well as the fractions of the decays proceeding via intermediate resonances. The results largely support the factorisation approach used for a theoretical description of the studied decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

An investigation of the very rare ${K}^{+}\to {\pi}^{+}\nu \overline{\nu}$ decay

The NA62 experiment reports an investigation of the ${K}^{+}\to {\pi}^{+}\nu \overline{\nu}$ mode from a sample of ${K}^{+}$ decays collected in 2017 at the CERN SPS. The experiment has achieved a single event sensitivity of (0.389 ± 0.024) × 10 -10 , corresponding to 2.2 events assuming the Standard Model branching ratio of (8.4 ± 1.0) × 10 -11 . Two signal candidates are observed with an expected background of 1.5 events. Combined with the result of a similar analysis conducted by NA62 on a smaller data set recorded in 2016, the collaboration now reports an upper limit of 1.78 × 10 -10 for the ${K}^{+}\to {\pi}^{+}\nu \overline{\nu}$ branching ratio at 90% CL. This, together with the corresponding 68% CL measurement of (${0.48}_{-0.48}^{+0.72}$) × 10 -10 , are currently the most precise results worldwide, and are able to constrain some New Physics models that predict large enhancements still allowed by previous measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

The CanBikeCO Full Pilot: Long-Term Results and Analysis From an E-Bike Program in Colorado, USA

Personal micromobility devices like bicycles, e-bikes, and scooters are low- or zero-energy alternatives to single-occupancy vehicles. However, a lack of data has led to a dearth of data-driven research on personally owned e-bike usage. We present longitudinal findings from the CanBikeCO program, focused on e-bike adoption and use across demographics, trip characteristics, and geographies in the state of Colorado. CanBikeCO recorded travel survey data from low-income individuals provided with personal e-bikes by the Colorado Energy Office in six communities across Colorado from July 2021 to December 2022. The data were collected using a custom instance of the National Renewable Energy Laboratory OpenPATH platform, which combines passive data collection with semantic information such as trip mode and purpose labels. To our knowledge, there are no prior travel survey data on personally owned e-bikes with this range and scope. Insights from this unique dataset include: (i) work trips were 17% more likely than average trips to be taken on an e-bike, (ii) e-bikes were most often reported to replace cars (34% of e-bike trips) and other personal micromobility devices (22%), and (iii) participants favored walking for trips less than 1 mile, e-bikes for trips of 1-3 miles, and e-bikes, cars, or shared rides for trips of 3-20 miles. The data used to generate these results have been made available in the Transportation Secure Data Center. We find e-bike use is appealing across age groups and may be related to characteristics of land use, urban form, occupation, income, and car ownership. We conclude for this population that the energy demand added by e-bike use (induced demand and replacing non-motorized modes) is outweighed by the reduction in energy demand from replacement of single-occupancy vehicle trips with e-bike trips. Our findings suggest considerable potential for energy savings from personal e-bike ownership.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. The report below summarizes the work done at UC Davis, which is complemented by work done at BYU (Woodfield) and Virginia Tech (Ross).

36 MATERIALS SCIENCE↗
DOE OSTI2022

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. This research was a collaboration between UC Davis (A. Navrotsky) BYU (B. Woodfield) and Virginia Tech (N. Ross).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Refining PeakDecoder Version 2

Novel computational tools for processing multidimensional mass spectrometry (MS) data are necessary to enable deeper and automated detection and quantification of metabolites in complex backgrounds. Multidimensional MS data includes measurements from liquid chromatography (LC) and ion mobility spectrometry (IM) separations, and precursor and fragment ion spectra collected in data-independent acquisition (DIA) mode. PeakDecoder is an artificial intelligence (AI)-based software that enables automated interpretation of this kind of data to identify and quantify individual metabolites in complex mixtures. The goal of this project was to improve and re-implement PeakDecoder in a better suited programming language to enable its commercialization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Wind Turbine Drivetrain Reliability Research - Gearbox Bearing Axial Cracking Failure Mode Example

The U.S. Department of Energy's National Renewable Energy Laboratory and Argonne National Laboratory have been conducting wind turbine drivetrain (formerly gearbox) reliability research for many years. Although the drivetrain focus has not changed, detailed projects are adjusted every few years based on dynamic needs seen in the field across the wind industry. This webinar will walk through the research methodology by using wind turbine gearbox bearing axial cracking failure mode as an example. The detailed steps include: 1) top failure mode identification based on actual failure data collected from project partners, 2) bench-top testing to identify possible contributing factors and formulate a damage metric, 3) physics domain modeling and validation through testing, 4) reliability assessment and prognosis based on the physics domain model and data domain inputs, and further enhancement through machine learning algorithms, using actual wind plant operational and failure event data. Hopefully, the presented work is of interest to the IISE community, and some members can apply their expertise to wind turbine and plant applications, helping enhance wind power generation technology advancement and its broader deployment.

axial cracking↗
DOE OSTI2021

Unexpected structural/motional mode of water intercalated into an α-crystalline zirconium phosphate deduced by 31 P and 2 H solid-state MAS NMR spectra

Here, in developing the approach to understanding dynamics of intercalates in layered materials, crystalline-layered zirconium phosphate Zr (HPO 4 ) 2 ·0.35D2O has been prepared and characterized by the 1 H, 31 P, and 2 H solid-state MAS NMR spectra, including 31 P and 2 H T 1 measurements. At temperatures >253 K, the intercalated water shows two spectrally-distinguished deuterons unprecedentedly with different DQCC's and 2 H T 1 times, one of which is hydrogen bonded. The collected data allowed to identify an unexpected bonding/dynamic mode of water molecules, which experience fast rotation around the hydrogen bond, formed with a zirconium-coordinated oxygen. The low-temperature 2 H MAS NMR experiments have demonstrated the presence of additional hydrogen bond P—(H)O˙˙˙ DO, population of which grows on cooling to 195 K corresponding to the doubly hydrogen-bonded immobile water molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Mesoscopic two-point collective dynamics of glass-forming liquids

The collective density–density and hydrostatic pressure–pressure correlations of glass-forming liquids are spatiotemporally mapped out using molecular dynamics simulations. It is shown that the sharp rise of structural relaxation time below the Arrhenius temperature coincides with the emergence of slow, nonhydrodynamic collective dynamics on mesoscopic scales. The observed long-range, nonhydrodynamic mode is independent of wave numbers and closely coupled to the local structural dynamics. Below the Arrhenius temperature, it dominates the slow collective dynamics on length scales immediately beyond the first structural peak in contrast to the well-known behavior at high temperatures. Furthermore, these results highlight a key connection between the qualitative change in mesoscopic two-point collective dynamics and the dynamic crossover phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗