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DOE OSTI2021

Raindrop Size Spectrum in Deep Convective Regions of the Americas

This study compared drop size distribution (DSD) measurements on the surfaces, the corresponding properties, and the precipitation modes among three deep convective regions within the Americas. The measurement compilation corresponded to two sites in the midlatitudes: the U.S. Southern Great Plains and Córdoba Province in subtropical South America, as well as to one site in the tropics: Manacapuru in central Amazonia; these are all areas where intense rain-producing systems contribute to the majority of rainfall in the Americas’ largest river basins. This compilation included two types of disdrometers (Parsivel and 2D-Video Disdrometer) that were used at the midlatitude sites and one type of disdrometer (Parsivel) that was deployed at the tropical site. The distributions of physical parameters (such as rain rate R, mass-weighted mean diameter D m , and normalized droplet concentration N w ) for the raindrop spectra without rainfall mode classification seemed similar, except for the much broader N w distributions in Córdoba. The raindrop spectra were then classified into a light precipitation mode and a precipitation mode by using a cutoff at 0.5 mm h -1 based on previous studies that characterized the full drop size spectra. These segregated rain modes are potentially unique relative to previously studied terrain-influenced sites. In the light precipitation and precipitation modes, the dominant higher frequency observed in a broad distribution of N w in both types of disdrometers and the identification of shallow light precipitation in vertically pointing cloud radar data represent unique characteristics of the Córdoba site relative to the others. As a result, the co-variability between the physical parameters of the DSD indicates that the precipitation observed in Córdoba may confound existing methods of determining the rain type by using the drop size distribution.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Determining the Structure of Rotating Massive Stellar Cores with Gravitational Waves

The gravitational wave (GW) signal resulting from stellar core collapse encodes a wealth of information about the physical parameters of the progenitor star and the resulting core-collapse supernova (CCSN). We present a novel approach to constrain CCSN progenitor properties at collapse using two of the most detectable parts of the GW signal: the core-bounce signal and evolution of the dominant frequency mode from the protoneutron star. We focus on the period after core bounce but before explosion and investigate the predictive power of GWs from rotating CCSNe to constrain properties of the progenitor star. We analyze 34 2D and four 3D neutrino-radiation-hydrodynamic simulations of stellar core collapse in progenitors of varied initial mass and rotation rate. Extending previous work, we verify the compactness of the progenitor at collapse to correlate with the early ramp-up slope, and in rotating cases, also with the core angular momentum. Combining this information with the bounce signal, we present a new analysis method to constrain the pre-collapse core compactness of the progenitor. Because these GW features occur less than a second after core bounce, this analysis could allow astronomers to predict electromagnetic properties of a resulting CCSN even before shock breakout.

Astronomy & Astrophysics↗

DOE OSTI2025

Temporal Properties of Compressible Magnetohydrodynamic Turbulence

Describing the temporal properties of compressible magnetohydrodynamic (MHD) turbulence is a fundamental problem that has important implications for particle acceleration and transport in astrophysical plasmas. Here, by carefully analyzing the spatial and temporal properties of compressible MHD turbulence, we derive a new spectral power density function that is supported by simulations. This new function reveals that the low-frequency fluctuations are dominated by modes with small parallel wavenumbers with respect to the mean background magnetic field. Furthermore, for fluctuations with dynamically significant parallel wavenumbers, broadening around their eigenfrequencies is described by this function, which is in close agreement with simulations. We use this formalism to present the scaling properties of individual MHD modes. Such broadening is a direct consequence of nonlinear processes and is different for the three fundamental MHD modes. Our results provide a new window to investigate the temporal properties of turbulence and will enable further studies on the interaction between compressible MHD turbulence and energetic plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

The CanBikeCO Mini Pilot: Procedure and Preliminary Results

In fall 2020, the Colorado Energy Office, as part of the State of Colorado's "Can Do Colorado" initiative, initiated a project aimed at encouraging energy-efficient transportation during the COVID-19 pandemic. The initial mini-pilot provided e-bikes to 13 low-income households under an individual ownership model. This report assesses the impact of providing this additional mobility option on the travel behavior of participants. It also outlines the lessons learned from deploying a continuous monitoring platform to track the travel behavior. These lessons will influence the evaluation component for the full pilot, which will cover multiple geographic regions, start in summer 2021, and run for 2 years. The continuous data collection was enabled by a customized version of the open-source e-mission platform, called CanBikeCO, configured with a behavioral gamification feature. The Colorado Energy Office used this system to collect a unique data set consisting of 3 months of partially automated travel diaries, combining sensed and surveyed data and linked with demographic information, from 12 participants. The data collection process worked well overall: users generally liked the app, appreciated the game, and did not complain about battery life. The long tracking period introduced behavioral challenges in user engagement, which we plan to address using repeated patterns and automated status checks for the full pilot. The analysis results, based on the subset of trips with user-reported labels (68%), indicate that the e-bike was the dominant commute mode share (31%), in sharp contrast to the census bicycle commute mode share (<1%). E-bike trips primarily replaced single-occupancy vehicle (SOV) trips (28%), followed closely by walking (24%) and regular bike (20%). The non-motorized mode replacement corresponds to lower travel time and increased productivity enabled by the program. The emissions impact analysis of the program, computed using trip-level energy intensity factors, indicates savings of 1,367 lbs. of CO2. Although the results are strongly positive, the narrow demographic profile of study participants, their limited mobility alternatives, and nonuniform labeling indicate caution in broader interpretation. These preliminary results do suggest that such programs, supported by real-time education and support from program managers, can simultaneously meet equity and sustainability goals. The planned full pilot, addressing the data collection challenges and broadening the geographic scope, will provide additional insights into the generality of this approach.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Drivetrain Reliability Collaborative Update

Pitch bearings, main bearings, and gearboxes in conventional wind turbine drivetrains often do not meet their 20-year minimum specified lifetime, resulting in turbine downtime as well as expensive, time-consuming repairs or replacements. The dominant failure modes of the drivetrain components and the conditions that lead to their failure are not fully accounted for during product design or routinely modeled for life management. Drivetrain reliability improvements and O&M cost reductions remain top priorities for both land-based and offshore wind turbines, especially as wind turbines continue to be deployed in increasingly remote and offshore locations, continue to increase in size, and are becoming expected to be in service beyond their original design life, all of which correspond to an increase in the impact of any reliability issues on O&M costs. This presentation summarizes the most recent activities by NREL and ANL on drivetrain reliability.

bearing↗

DOE OSTI2026

Oversizing and Part-Load Problems

Oversizing, the common engineering practice of specifying devices with capacity exceeding the actual load requirement, is a widespread practice across virtually all building technologies end-use categories, including HVAC, electrical systems, lighting, appliances, and plug loads. This practice, driven by factors like design uncertainty, institutional pressures, and risk aversion, results in wasted capital investment, control difficulties, and excessive energy consumption due to inefficient part-load operation. Part-load operation, where devices run below maximum capacity, is the dominant operating mode in most energy systems and presents a complex design challenge. Solutions to match output to load fall into three broad categories: constraining the output, adjusting the device’s internal behavior, and linking output to energy storage or other waste-heat reuse applications. The energy implications of part-load are critical, as efficiency often drops sharply as load decreases across a wide diversity of devices. To quantify the extent of this problem, we derive a dimensionless Part-Load Metric (PLM) based on device efficiency and its frequency distribution of operating hours at various output levels. The PLM quantifies the deviation of a device's actual efficiency from its maximum design efficiency. This metric also serves as a measure of "capital inefficiency," enabling engineers to compare the impact of different part-load solutions and providing a unified framework for evaluating performance across various devices and systems.

Meier, Alan↗

DOE OSTI2026

Vibrational and electronic properties of Np 2 O 5 from experimental spectroscopy and first principles calculations

High-valence actinide oxides are critical to understanding the behavior of 5f-electrons, yet their structural and electronic properties remain poorly understood due to challenges in synthesis and handling. We report the first Raman spectroscopic study of single-crystalline Np 2 O 5 and the first scanning tunneling spectroscopy (STS) measurement on any neptunium-containing material. Hydrothermally synthesized crystals were structurally verified by X-ray diffraction. Raman spectra revealed sharply resolved vibrational features, including previously unreported low-frequency modes. STS measurements revealed a band gap of 1.5 eV. Density functional theory (DFT) enables vibrational mode assignments, reveals neptunium-dominated low-frequency phonons, oxygen-dominated high-frequency modes, and predicts an indirect band gap of 1.68 eV. This predicted value is in excellent agreement with the experimentally measured STS gap. This combined Raman, DFT, and STS approach provides a robust framework for correlating lattice dynamics and electronic structure in actinide materials, providing benchmark data for Np 2 O 5 , and opening new avenues for probing structure–property relationships in complex f-electron materials.

36 - MATERIALS SCIENCE↗

DOE OSTI2020

Verification of local electrostatic gyrokinetic simulation of driftwave instability in field-reversed configuration

Local linear simulations of ion temperature gradient (ITG) instabilities using a gyrokinetic particle code GKD1D have been verified by comparing with the analytic dispersion relation in the slab geometry and by benchmarking with a global gyrokinetic code GTC-X in a realistic field-reversed configuration (FRC). Results of ITG simulations using either adiabatic or kinetic electrons exhibit excellent agreements between the two codes for linear frequencies, growth rates, and mode structures. The ITG modes in the FRC scrape-off layer region are mostly dominated by the poloidal m = 1 harmonic. Kinetic electrons enhance the subdominant m = 2 harmonic and the even parity dominates the ITG mode structure. Kinetic electrons increase the growth rates for the low-n modes, but decrease the growth rates for the high-n modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Small-Signal Stability Constrained Optimal Power Flow of Inverter-Dominated Power Systems with Flexible Operation Mode Selection

Given the intermittence and low inertia nature of inverter-based resources (IBRs), modern power systems with high penetration of IBRs challenge the conventional optimal power flow (OPF) analysis and the system may experience unexpected failures if stability constraints are not incorporated. This study proposes a small-signal stability-constrained OPF (SSSC-OPF) with flexible operation mode selection between grid-forming (GFM) and grid-following (GFL) modes for IBRs to address these challenges. The approach aims to maintain system stability with a sufficient stability margin while minimizing operation costs. The effectiveness of the proposed method is validated through extensive case studies on the IEEE 14-bus system. The results demonstrate that the proposed method is able to support system-level power flow analysis, reduce generation costs, and ensure stability under various disturbances.

grid-following↗

DOE OSTI2024

Elucidating non-radiative decay in near-infrared lumiphores: Leveraging new design principles to develop a telecom band organic dye laser

Organic near-infrared (NIR) lumiphores have been targeted for biological and technological applications; however, these dyes exhibit exponentially decreasing quantum yields with decreasing energy gaps. The accepted model of this phenomenon invokes C–H stretching modes as the dominant route of non-radiative energy dissipation. Reducing the number of these modes is a popular strategy for the design of bright NIR lumiphores, but quantitative experimental validation of this strategy is lacking. Here, we evaluate the role of C–H modes in non-radiative relaxation through isotopic labeling of a NIR-emitting complex. Measurements comparing relaxation between protonated and perdeuterated complexes indicate that C–H modes do not contribute significantly to non-radiative relaxation. We instead propose that skeletal modes may play a larger role and suggest that minimizing scaffold size is a promising route for bright NIR lumiphores. In conclusion, we demonstrate the promise of such strategies through the development of the reddest organic-based laser dye yet reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Spectral transition of multiscale turbulence in the tokamak pedestal

The transition in the turbulence spectrum from ion-scale dominated regimes to multiscale transport regimes that couple ion and electron scales is studied with gyrokinetic simulations of turbulent transport. The simulations are based on DIII-D high-confinement mode (H-mode) plasma parameters in the tokamak pedestal. The transition is initiated by varying the ion temperature gradient. To our knowledge, no full multiscale simulations of pedestal-like transport have been done previously. The experimental parameters lie in a bifurcation region between the two regimes. At long wavelengths, a complex, ion-direction hybrid mode is the dominant linearly unstable drift wave, while an electron temperature gradient-driven mode is unstable at short wavelengths. In the transition from the multiscale branch to the ion-scale branch, the magnitude of the ion-scale poloidal wavenumber spectrum of the nonlinear turbulent energy flux increases and the magnitude of the high-wavenumber spectrum decreases. Here, the decrease in the electron-scale transport is due to nonlinear mixing with ion-scale fluctuations and the ion-scale-driven zonal flows. A shift in the total energy associated with the fluctuating electrostatic potential intensity from dominantly drift kinetic energy in the multiscale regime to dominantly potential intensity in the ion-scale regime is well-correlated with the trend in the total energy flux.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Significance of the Direct Excitation Mechanism for High-Frequency Response of Premixed Flames to Flow Oscillations

Premixed flames are sensitive to flow disturbances, which can arise from acoustic or vortical fluctuations. For transverse instabilities, it is known that a dominant mechanism for flame response is “injector coupling,” whereby pressure oscillations associated with transverse waves excite axial flow disturbances. These axial flow disturbances then excite heat release oscillations. The objective of this paper is to consider another mechanism—the direct sensitivity of the unsteady heat release to transverse acoustic waves—and to compare its significance relative to the induced axial disturbances, in a linear framework. The rate at which the flame adds energy to the disturbance field is quantified using the Rayleigh criterion and evaluated over a range of control parameters, such as flame length and swirl number. The results show that radial modes induce heat release fluctuations that always add energy to the acoustic field, whereas heat release fluctuations induced by mixed radial-azimuthal modes can add or remove energy. These amplification rates are then compared to the flame response from induced axial fluctuations. For combustor-centered flames, these results show that the direct excitation mechanism has negligible amplification rates relative to the induced axial mechanism for radial modes. For transverse modes, the fact that the nozzle is located at a pressure node indicates that negligible induced axial velocity disturbances are excited; as such, the direct mechanism dominates. As a result, for flames that are not centered on pressure nodes, the direct mechanism for mixed modes dominates for certain nozzle locations and flame angles.

42 ENGINEERING↗

DOE OSTI2026

The Modulated Crystal Structure of K 2 V 3 O 8

Weak lattice distortions can tune exchange pathways and magnetic interactions in square-lattice quantum magnets. K 2 V 3 O 8 is a mixed valence (V 4+ /V 5+ ) fresnoite oxide that exhibits strong spin–lattice coupling at low temperature. Here, we combine single-crystal neutron diffraction (90 K) and laboratory X-ray diffraction (50 K) to solve the low-temperature structure as an orthorhombic (3 + 1)D incommensurately modulated phase in superspace group Cmm2(β,0,1/2)0s0 [No. 196]. What initially appeared as two independent modulation vectors, q 1 = 0.3132(6)[$110$] + 1/2c* and q 2 = 0.3132(6)[$1\bar{10}$] + 1/2c*, are more naturally described as a single one-dimensional modulation wave q = 0.626(1)a* + 1/2c* in a C-centered orthorhombic lattice, related to the parent tetragonal cell by the transformation a + b, −a + b, c. Refinement with a 4-fold rotational twin inherited from the P4bm parent structure solves oxygen-dominated framework distortions and K + displacements. A de Wolff section (t = 0.40) enables a symmetry-mode decomposition, identifying three dominant mm2 (C 2v ) modes: GM3 for framework tilt, A5 for interlayer shear, and Z5 for c-axis breathing. The mode-resolved structure provides a unified, symmetry-based explanation for reported low-temperature Raman and IR anomalies and clarifies the structural origin of the spin–lattice coupling in the S = 1/2 two-dimensional quantum spin compound.

K2V3O8↗

DOE OSTI2026

Reduced fast-ion transport calculations of m = n = 1 fishbone-like instabilities in MAST-U

Fast-ion transport associated with an m = n = 1 fishbone-like burst in MAST-U discharge 47128 is investigated using a reduced guiding-center-based transport model (ORBIT-Kick) constrained by multi-diagnostic measurements. The two-dimensional beam-emission spectroscopy system provides measurements of the core poloidal mode structure and fluctuation amplitude, while EFIT++ reconstructions constrained by the motional Stark effect diagnostic indicate a flat q-profile with q 0 > 1⁠, indicating the absence of a resonant q = 1 surface and supporting a pressure-driven infernal-mode interpretation. Analytic m = n = 1 displacement profiles consistent with the measured core mode structure and equilibrium constraints are used as the mode structure inputs to ORBIT-Kick. The calculations show that the dominant resonances occur between the mode and co-passing fast ions, producing redistribution localized near the magnetic axis. Synthetic neutron camera signals from TRANSP-Kick recover up to 90% of the experimentally observed neutron deficit at the time of peak mode amplitude, indicating that the measured m = n = 1 mode is a dominant contributor to core fast-ion transport. However, the synthetic neutron signals recover rapidly, whereas the measured neutron emission continues to decrease after the peak amplitude. In conclusion, the remaining discrepancy may arise from contributions not included in the present single-harmonic model, including higher-m and higher-n harmonics, multi-harmonic interactions, and additional transport mechanisms, motivating future diagnostic development and modeling efforts to resolve and incorporate these additional contributions.

Wong, Henry H. [University of California, Los Ange↗

DOE OSTI2022

The importance of localized modes spectral contribution to thermal conductivity in amorphous polymers

Abstract Polymers are a unique class of materials from the perspective of normal mode analysis. Polymers consist of individual chains with repeating units and strong intra-chain covalent bonds, and amorphous arrangements among chains with weak inter-chain van der Waals and for some polymers also electrostatic interactions. Intuitively, this strong heterogeneity in bond strength can give rise to special features in the constituent phonons, but such effects have not been studied deeply before. Here, we use lattice dynamics and molecular dynamics to perform modal analysis of the thermal conductivity in amorphous polymers. We find an abnormally large population of localized modes in amorphous polymers, which is fundamentally different from amorphous inorganic materials. Contrary to the common picture of thermal transport, localized modes in amorphous polymers are found to be the dominant contributors to thermal conductivity. We find that a significant portion of the localization happens within individual chains, but heat is dominantly conducted when localized modes involve two chains. These results suggest localized modes generally play a key role in thermal transport for different polymers. The results provide an alternative perspective on why polymer thermal conductivity is generally quite low and gives insight into how to potentially change it.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Turbulence spreading effects on the ELM size and SOL width

BOUT++ turbulence simulations were performed to investigate the impact of turbulence spreading on the edge localized mode (ELM) size and divertor heat flux width (λ q ) broadening in small ELM regimes. Here, this study is motivated by EAST experiments. BOUT++ linear simulations of a pedestal radial electric field (E r ) scan show that the dominant toroidal number mode (n) shifts from high-n to low-n, with a narrow mode spectrum, and the maximum linear growth rate increases as the pedestal E r well deepens. The nonlinear simulations show that as the net E × B pedestal flow increases, the pressure fluctuation level and its inward penetration beyond the top of the pedestal both increase. This leads to a transition from small ELMs to large ELMs. Both inward and outward turbulence spreading are sensitive to the scrape-off-layer (SOL) plasma profiles. The inward turbulence spreading increases for the steep SOL profiles, leading to increasing pedestal energy loss in the small ELM regime. The SOL width (λ q ) is significantly broadened progressing from the ELM-free to small ELM regime, due to the onset of strong radial turbulent transport. The extent of the SOL width (λ q ) broadening depends strongly on outward turbulence spreading. The fluctuation energy intensity flux Γ ε at the separatrix can be enhanced by increasing either pedestal E r flow shear or local SOL pressure gradient. The λ q is broadened as the fluctuation energy intensity flux Γ ε at the last close flux surface (LCFS) increases. Local SOL E × B flow shear will restrain outward turbulence spreading and the associated heat flux width broadening. Operating in H-mode with small ELMs has the potential to solve two critical problems: reducing the ELM size and broadening the SOL width.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Remote surface optical phonon scattering in ferroelectric Ba 0.6 Sr 0.4 TiO 3 gated graphene

We report the effect of remote surface optical (RSO) phonon scattering on carrier mobility in monolayer graphene gated by ferroelectric oxide. We fabricate monolayer graphene transistors back-gated by epitaxial (001) Ba 0.6 Sr 0.4 TiO 3 films, with field effect mobility up to 23 000 cm 2 V –1 s –1 achieved. Switching ferroelectric polarization induces nonvolatile modulation of resistance and quantum Hall effect in graphene at low temperatures. Ellipsometry spectroscopy studies reveal four pairs of optical phonon modes in Ba 0.6 Sr 0.4 TiO 3 , from which we extract RSO phonon frequencies. The temperature dependence of resistivity in graphene can be well accounted for by considering the scattering from the intrinsic longitudinal acoustic phonon and the RSO phonon, with the latter dominated by the mode at 35.8 meV. Furthermore, our study reveals the room temperature mobility limit of ferroelectric-gated graphene transistors imposed by RSO phonon scattering.

36 MATERIALS SCIENCE↗

DOE OSTI2024

ELM-free enhanced D α H-mode with near zero NBI torque injection in DIII-D tokamak

Enhanced D α H-mode (EDA H-mode), an ELM-free H-mode regime, and the concomitant quasi-coherent mode (QCM) are explored in neutral beam heated, lower single null plasmas with near zero external torque injection. This regime exhibits good energy confinement (H 98y2 ~ 1) with β N ~ 2, high density, regime access at low input power, and no ELMs. New time–resolved measurements of electron and ion density, temperature, plasma rotation, and radial electric field as well as turbulence, flows, thermal and particle transport, and linear instability calculations examining the dynamics of the QCM are presented. Measurements using multiple fluctuation diagnostics reveal the QCM to be a separatrix spanning mode, peaking just inside the separatrix, existing in a wide range of k ⊥ ρ s ~ 0.1–1.2 with multiple harmonics, and propagating with a very small phase velocity in the plasma frame, where k ⊥ is the binormal wavenumber and ρ s is the ion sound radius. Linear gyrokinetic simulations of this EDA H-mode discharge with CGYRO indicate that the trapped electron mode (TEM) and electron temperature gradient mode are the dominant instabilities in the radial region where QCM is also unstable. Qualitative analysis indicates that the properties of TEM are consistent with the experimentally observed characteristics of the QCM. These similarities suggest that the QCM is consistent with a TEM instability existing in the edge region of the EDA H-mode plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗