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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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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Light induced ion migration studies in perovskite solar cell using nonlinear impedance spectroscopy

Complex interactions between mobile ions and charge carriers in perovskite solar cells (PSCs) make it challenging to fully understand their dynamic interplay. Exposure to light further complicates these interactions, altering the system’s dynamics and inducing nonlinear effects that lead to changes in the J−V curve. Understanding these effects is crucial for improving the operational stability of PSCs. Impedance spectroscopy (IS) is a powerful technique for evaluating relaxation processes in the frequency domain; however, it is limited in capturing nonlinear contributions. Here, in this work, nonlinear impedance spectroscopy (NLIS) is employed to analyze the higher harmonic response to AC perturbation, both in the dark and after short-term light exposure. A shift in the low-frequency (LF) higher harmonic peak is observed after open-circuit light exposure, attributed to an altered electric field suggesting ion re-distribution, whereas closed-circuit exposure shows no LF shift, indicating minimal ion movement. Additionally, light exposure reduces higher-order admittance, more notably in open-circuit conditions, suggesting decreased recombination. Temperature-dependent analysis was conducted to characterize the activation energy of migrating species, identifying iodide as the dominant migrating ion.

14 SOLAR ENERGY↗
DOE OSTI2026

A Vibrational Probe of Electrical Doping in N2200 and Fermi-Level Alignment at Polymer Cathode/Metal Cocatalyst/Electrolyte Junctions

Hybrid (photo)­cathodes consisting of conjugated polymer and hydrogen evolution reaction (HER) cocatalysts are an emerging platform for low-cost solar fuel generation. Poly­{[N,N′-bis­(2-octyldodecyl)-naphthalene-1,4,5,8-bis­(dicarboximide)-2,6-diyl]-alt-5,5′-(2,2′-bithiophene)}, known as P­(NDI2OD-T2) or N2200, is a promising electron accepting material for bulk heterojunction photocathodes. Unlike inorganic (photo)­electrodes, much less is known about the energetic alignment of conjugated polymer electrode/metal/electrolyte junctions. Here, in this work, we investigate the electrical doping behavior in an N2200 cathode and its Fermi-level alignment with gold nanoparticles, which is used here as a model for the hydrogen evolution metal cocatalyst. Through UV/visible, Raman, and attenuated total-reflectance infrared spectroelectrochemistry, we observe the impact of electrical doping on the vibrational frequencies of neutral, anion, and dianion species in N2200, which suggests that electron density changes within the corresponding naphthalene-diimide (NDI) units. Upon one-electron reduction, the $C=O$ stretching frequency of the NDI anion unit (polaron) shows a red shift by ∼ 68 cm –1 . Additionally, the $C=O$ stretching frequency of neutral units in the doped N2200 shows a minor red shift of ∼ 5 cm –1 , suggesting charge transfer from neighboring polaron units. Surface-enhanced Raman spectroscopy measurements of a gold nanoparticle-functionalized N2200 electrode revealed that the Au Fermi level only shifts with that of N2200 upon polaron formation; thus, the formal potential of polymer polaron formation determines the behavior of the catalyst Fermi level, which we posit will modulate reaction capability. This mechanistic study provides a new approach for understanding the nanometer-scale energetics at the conjugated polymer/cocatalyst junction and provides critical insights for the future design of HER (photo)­cathodes.

charge transfer↗
DOE OSTI2026

Secondary-Side Active Rectifier Synchronization and Control in LCC-LC Compensated Inductive Power Transfer Systems

This paper proposes a communication-less synchronization and output power control strategy for LCC-LC compensated inductive power transfer systems with a secondaryside active rectifier. By replacing the passive rectifier with an active bridge, the proposed architecture eliminates the need for a separate secondary-side DC-DC converter and enables direct regulation of battery power. The key challenge in such a system is achieving robust synchronization of the secondary active bridge with the primary inverter without access to primary-side signals. To address this issue, the secondary-side variables are analyzed and the current through the secondary series inductor is identified as a load-independent synchronization variable with a fixed phase relationship to the primary excitation. A fixed-frequency second order generalized (SOGI)-based phase locked loop (PLL) is used to estimate the switching phase and frequency, and a phase-shift-based output power controller is developed using a phasor-transformer model of the active bridges. A modified control formulation is further introduced to remove phase-dependent loop-gain variation and simplify controller design. Simulation results validate the proposed method under both fixed and varying switching-frequency conditions, demonstrating successful frequency tracking from 82 kHz to 88 kHz and accurate output power regulation over a wide operating range. The proposed method offers a compact and effective solution for high-power IPT systems by enabling secondary-side synchronization and control without wireless communication or an additional DC-DC conversion stage.

Fernandes, Arnold Anthony [ORNL] (ORCID:0009000631↗
DOE OSTI2023

Nonlinear photoconductivities and quantum geometry of chiral multifold fermions

Here, chiral multifold fermions are quasiparticles that appear only in chiral crystals such as transition metal silicides in the cubic B20 structure (i.e., the CoSi family), and they may show exotic physical properties. Here we study the injection and shift photoconductivities and also the related geometrical quantities for several types of chiral multifold fermions, including spin-1/2 as well as pseudospin-1 and -3/2 fermions, dubbed as Kramers Weyl, triple-point, and Rarita-Schwinger-Weyl (RSW) fermions, respectively. We utilize the minimal symmorphic model to describe the triple-point fermions (TPF). We also consider the more realistic model Hamiltonian for the CoSi family including both linear and quadratic terms. We find that injection currents due to circularly polarized light are quantized as a result of the Chern numbers carried by the multifold fermions within the linear models. Surprisingly, we discover that in the TPF model, the linear shift conductivities, responsible for the shift current generation by linearly polarized light, are proportional to the pseudo spin-orbit coupling and independent of photon frequency. In contrast, for the RSW and Kramer Weyl fermions, the linear shift conductivity is linearly proportional to photon frequency. The numerical results agree with the power-counting analysis for quadratic Hamiltonians. The frequency independence of the linear shift conductivity could be attributed to the strong resonant symplectic Christoffel symbols of the flat bands. Moreover, the calculated symplectic Christoffel symbols show significant peaks at the nodes, suggesting that the shift currents are due to the strong geometrical response near the topological nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Alfvénic modes excited by the kink instability in PHASMA

Magnetic flux ropes have been successfully created with plasma guns in the newly commissioned PHAse Space MApping (PHASMA) experiment. The flux ropes exhibit the expected m = 1 kink instability. The observed threshold current for the onset of this kink instability is half of the Kruskal–Shafranov current limit, consistent with predictions for the non-line tied boundary condition of PHASMA. The helicity, paramagnetism, and growth rate of the observed magnetic fluctuations are also consistent with kink instability predictions. The observed fluctuation frequency appears to be a superposition of a real frequency due to a Doppler shift of the kink mode arising from plasma flow (~2kHz) and a contribution from a wave mode (~5 kHz). The dispersion of the wave mode is consistent with an Alfvén wave. Distinct from most previ-ous laboratory studies of flux ropes, the working gas in PHASMA is argon. Thus, the ion cyclotron frequency in PHASMA is quite low and the frequency of the Alfvénic mode plateaus at ~0.5 of the ion gyro frequency with increasing background magnetic field strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Spectral Induced Polarization-Biogeochemical Relationships for Remediation Amendment Monitoring

Geophysical tools such as electrical resistivity (ER) can indirectly monitor subsurface changes in response to remedial injections. These methods exhibit relatively low spatial resolution compared to sediment core characterization but are advantageous due to the ability to collect measurements non-intrusively over time across large volumes of the subsurface. Moreover, along with confirmatory groundwater or core sampling, geophysical methods can be used during active biogeochemical remedies to monitor short-term contaminant transformations and mobility, as well as part of an overall strategy for long-term monitoring of subsurface contaminated sites. The use of alternating current spectral induced polarization (SIP) provides significantly more information than conventional geophysical methods like direct current ER. SIP allows for monitoring changes in both solution and surface conductivity by separation of real and imaginary conductivity, respectively, as well as surface capacitance. In principle, SIP can measure indicators of remedy progression such as precipitation reactions that sequester contaminants, potentially providing a better indication of amendment delivery and reactivity as compared to conventional ER methods. However, multiple processes and material properties have overlapping (interacting) electrical responses across a range of frequencies. Hence, the purpose of this scoping study was to evaluate if SIP can be used to monitor (a) amendment delivery and (b) precipitation and reactivity of amendments under consideration at Hanford. SIP measurements were collected in fully saturated columns packed with sand and Hanford formation sediments containing (a) amendments that were highly conductive with significant capacitance (zero valent iron – ZVI, sulfur modified iron – SMI) and (b) amendments that exhibited low electrical conductivity with a small capacitance (calcite, apatite, bismuth). The sand was a quartz material with homogenous particle size that exhibited a relatively low surface conductivity. It was used as a control for comparison with the sediments from the Hanford Site, which have a greater surface conductivity because of their complex mineralogy and heterogeneous particle size distribution and may have complex interactions with amendments. The amendment mass fraction was varied to represent the different stages and subsurface locations associated with the delivery of a remedy. The primary objective was to identify the solution and solid surface changes associated with the delivery amendments and their secondary reactions within the subsurface. The figure below summarizes results for the amendments tested through this project. The SIP phase shift or imaginary conductivity change for the high conductivity amendments was more than 10 times that of the low conductivity amendments, highlighting the relative ease of detection of ZVI and SMI independent of the background signal from sand or Hanford sediments. The ZVI phase shift and imaginary conductivity changes occur primarily at high frequency (> 100 Hz) whereas SMI changes were at low frequency (0.01 to 10 Hz). SIP signals of SMI also increased over time and the maximum shifted to lower frequencies. The low conductivity amendments (calcite, abiotic and biotic apatite, bismuth subnitrate) exhibited relatively small phase and imaginary conductivity changes when added to sediments. The changes were above minimum detection limits (0.5 mrad for phase shift, 0.03 µS/cm for imaginary conductivity) for the highest concentration except for the commercial bismuth material. The lowest amendment concentration that can be detected is likely sediment specific, as minerals in sediments (clays, magnetite, Fe-oxides) have some capacitance and, therefore, exhibit a variable phase shift.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Inferring the Energetics of CO 2 –Aniline Adduct Formation from Vibrational Spectroscopy

Control of atmospheric CO 2 is an important contemporary scientific and engineering challenge. Towards this goal, the reaction of CO 2 with amines to form carbamate bonds is an established method for CO 2 capture. However, controllable reversal of this reaction remains difficult and requires tuning the energetics of the carbamate bond. Through IR spectroscopy, we show that a characteristic frequency observed upon carbamate formation varies as a function of the substituent’s Hammett parameter for a family of para- substituted anilines. We present computational evidence that the vibrational frequency of the adducted CO 2 serves as a predictor of the energy of formation of the carbamate. Electron donating groups typically enhance the driving force of carbamate formation by transferring more charge to the adducted CO 2 and thus increasing the occupancy of the anti-bonding orbital in the carbon-oxygen bonds. Increased occupancy of the anti-bonding orbital within adducted CO 2 indicates a weaker bond, leading to a red shift in the characteristic carbamate frequency. As a result, our work serves the large field of CO 2 capture research where spectroscopic observables, such as IR frequencies, are more easily obtainable and can stand in as a descriptor of driving forces.

Amines↗
DOE OSTI2022

Alternative Ratemaking in the US: A Prerequisite for Grid Modernization or an Unwarranted Shift of Risk to Customers?

With increasing frequency, investor-owned electric utilities are requesting preferred cost recovery for "grid modernization" in multiple forms, from multi-year rate plans to riders. Utilities' claims that massive grid investment is necessary, and that exceptional investment requires exceptional cost recovery, are typically accepted by policymakers with little challenge. It is difficult for policymakers to resist the siren call of grid modernization's perceived outcomes, from improved reliability and resilience to reduced risks to safety and new customer technology adoption (electric vehicles, distributed energy resources, and more). This paper provides a contrarian viewpoint that is virtually absent as policymakers consider alternative ratemaking practices. It introduces the possibility that excess grid investment in the name of modernization is not only possible, and economically harmful, but has already occurred, encouraged by alternative ratemaking. It provides examples of common grid modernization expenditures the authors have identified as cost-ineffective in the course of their work. It also describes traditional grid planning practices with proven ability to address changing requirements over time, calling into question the need for exceptional grid modernization investment plans. Most important, the paper explains the moral hazard inherent in alternative ratemaking, and the fundamental shift in ratemaking risks and responsibilities from utilities to customers that results. The perspectives this paper presents are critical for policymakers to understand before adopting, extending, or expanding alternative ratemaking practices in their respective jurisdictions.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2025

Development of a wide bandwidth heterodyne dispersion interferometer for electron density measurement of atmospheric pressure plasmas

One of the challenges of electron density measurements of an atmospheric pressure plasma (APP) with a laser interferometer is the significant and unwanted phase shift caused by changes in the neutral gas density. These unwanted phase shifts can be mitigated and plasma density measured using an interferometer architecture called a dispersion interferometer (DI). A DI is composed of two nonlinear orientation patterned GaAs crystals for frequency doubling and measures the phase shift induced by a plasma in the interference signal between two second-harmonic beams. Measurement of plasma dynamics or a short plasma pulse in less than a millisecond is enabled with heterodyne detection in a DI using an acousto-optic cell with a frequency of 40 MHz. This heterodyne DI (HDI) is targeted to measure APPs in an electron density range of 10 20 –10 24 m −3 . Finally, the HDI achieves a line-integrated density resolution of 2 × 10 15 m −2 (a phase resolution of 0.005°) with a time constant of 1 μs using ensemble averaging techniques.

atmospheric pressure plasma↗
DOE OSTI2020

Helicity at small x: oscillations generated by bringing back the quarks

We construct a numerical solution of the recently-derived large-N c &N f small-x helicity evolution equations with the aim to establish the small-x asymptotics of the quark helicity distribution beyond the large-N c limit explored previously in the same framework. (Here N c and N f are the numbers of quark colors and flavors.) While the large-N c helicity evolution involves gluons only, the large-N c &N f evolution includes contributions from quarks as well. We find that adding quarks to the evolution makes quark helicity distribution oscillate as a function of x. Our numerical results in the large-N c &N f limit lead to the x-dependence of the flavor-singlet quark helicity distribution which is well-approximated by $$ {\left.\Delta \Sigma \left(x,{Q}^2\right)\right|}_{\mathrm{large}\hbox{-} {N}_c\&{N}_f}\sim {\left(\frac{1}{x}\right)}^{\alpha_h^q}\cos \left[{\omega}_q\ln \left(\frac{1}{x}\right)+{\varphi}_q\right]. $$. The power $α^{q}_{h}$ exhibits a weak N f -dependence, and, for all Nf values considered, remains very close to $α^{q}_{h}$(N f =0)=$\left(4/\sqrt{3}\right)\sqrt{\alpha_s{N}_c/\left(2\pi \right)}$ obtained earlier in the large-N c limit. The novel oscillation frequency ω q and phase shift φ q depend more strongly on the number of flavors N f (with ω q = 0 in the pure-glue large-N c limit). The typical period of oscillations for ΔΣ is rather long, spanning many units of rapidity. We speculate whether the oscillations we find are related to the sign variation with x seen in the strange quark helicity distribution extracted from the data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al 2 O 3 Supported MoO x

The structure of supported MoO x /Al 2 O 3 catalysts is investigated using ab initio molecular dynamics (AIMD) and density-functional theory (DFT). Phase diagrams were computed to understand the hydroxylation coverage as a function of the temperature, H 2 O partial pressure, and MoO x loading. We relate the shifts in experimental Raman vibrational frequencies under hydrated conditions to hydrogen bonding interactions and the MoO x anchoring location. We showcase that the use of AIMD as a benchmark for DFT can provide insight into how, under certain hydrated conditions, DFT excels as an inexpensive method for computing vibrational frequencies, while, under dehydrated conditions, it is susceptible to the largest errors. Additionally, to facilitate the analysis of the hydroxyl region of experimental infrared spectra, we compute the power spectra of individual hydroxyls and see a strong relationship between OH stretching frequencies and the surrounding coordination environment, which are also impacted by anchored MoO x . Here, we compare computational and experimental IR and Raman spectra of catalysts synthesized herein under the same conditions.

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

Analytic quasi-steady evolution of marginally unstable kinetic plasma instabilities in the presence of drag and scattering

The 1D bump-on-tail problem is studied in order to determine the influence of drag on quasi-steady solutions near marginal stability (1-γ d /γ L << 1) when effective collisions are much larger than the instability growth rate (ν>>γ). In this common tokamak regime, it is rigorously shown that the paradigmatic Berk–Breizman cubic equation for the nonlinear mode evolution reduces to a much simpler differential equation, dubbed the time-local cubic equation, which can be solved directly. It is found that in addition to increasing the saturation amplitude, drag introduces a shift in the apparent oscillation frequency by modulating the saturated wave envelope. Furthermore, excellent agreement is found between the analytic solution for the mode evolution and both the numerically integrated Berk–Breizman cubic equation and fully nonlinear 1D Vlasov simulations. Experimentally isolating the contribution of drag to the saturated mode amplitude for verification purposes is explored but complicated by the reality that the amount of drag cannot be varied independently of other key parameters in realistic scenarios. While the influence of drag is modest when the ratio of effective drag to effective scattering α/ν is very small, it can become substantial when α/ν ≳ 0.5, suggesting that drag should be accounted for in quantitative models of fast-ion-driven instabilities in fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

CeNTREX: a new search for time-reversal symmetry violation in the 205 Tl nucleus

The Cold molecule Nuclear Time-Reversal EXperiment (CeNTREX) is a new effort aiming for a significant increase in sensitivity over the best present upper bounds on the strength of hadronic time reversal (T) violating fundamental interactions. The experimental signature will be shifts in nuclear magnetic resonance frequencies of 205 Tl in electrically-polarized thallium fluoride (TlF) molecules. Here we describe the motivation for studying these T-violating interactions and for using TlF to do so. To achieve higher sensitivity than earlier searches for T-violation in TlF, CeNTREX uses a cryogenic molecular beam source, optical state preparation and detection, and modern methods of coherent quantum state manipulation. Details of the measurement scheme and the current state of the apparatus are presented, with quantitative measurements of the TlF beam. Lastly, the estimated sensitivity and methods to control systematic errors are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Two-color-driven enhanced high-order harmonic generation in solids

We theoretically investigate the emission of high-harmonic (HH) radiation in model crystals by bichromatic few-cycle driving pulses that are composed as the phase-coherent superposition of a mid-infrared fundamental pulse and its second harmonic. Adjusting the model-crystal parameters to reproduce the lowest band gap of MgO, we examine the extent to which distinct domains of the HH spectrum can be controlled and enhanced by tuning the temporal profile of the bichromatic driving laser electric field. We change the driving-pulse shape by varying its fundamental-versus-second-harmonic pulse amplitude ratio and delay, while keeping the energy of the driving laser pulse fixed. For suitable amplitude ratios and delays, we find an up to fivefold enhancement of the spectral HH yield and significant shifts of the HH cutoff frequency.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Vibrational properties of CuInP 2 S 6 across the ferroelectric transition

In order to explore the properties of a two-sublattice ferroelectric, we measured the infrared and Raman scattering response of CuInP 2 S 6 across the ferroelectric and glassy transitions and compared our findings to a symmetry analysis, calculations of phase stability, and lattice dynamics. In addition to uncovering displacive character and a large hysteresis region surrounding the ferroelectric transition temperature T C , we identify the vibrational modes that stabilize the polar phase and confirm the presence of two ferroelectric variants with opposite polarizations. Below T C , a poorly understood relaxational or glassy transition at T g is characterized by local structure changes in the form of subtle peak shifting and activation of low frequency out-of-plane Cu- and In-containing modes. Here, the latter are due to changes in the Cu/In coordination environments and associated order-disorder processes. Moreover, T g takes place in two steps with another large hysteresis region and significant underlying scattering. Combined with imaging of the room temperature phase separation, this effort lays the groundwork for studying CuInP 2 S 6 under external stimuli and in the ultrathin limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

On Stability of PQ-Controlled Grid-Following and Droop-Control Grid-Forming Inverters

In this paper, the nonlinearity impacts of PQ-control schemes and LCL filter parameter variations on the stability of grid-interactive inverters are studied under weak grid conditions. This work demonstrates that the control nonlinearity and parameter variations can cause unexpected instability at low power levels. This instability issue in the nominal operating range may occur under specific control parameters due to the shift of the low-frequency eigenvalues of PQ-controlled inverters. A full-order small-signal model for PQ-controlled inverters is applied to analyze this instability issue. Furthermore, the impacts of the droop coefficients on the stability of the droop-controlled grid-forming inverter are also investigated using the closed-loop inverter model. The findings are experimentally verified using a small-scale two-level 208 V, 5 kVA inverter feeding a 12 kW NHR 9410 power grid emulator and a hardware setup of a microgrid fed by two 5 kVA 208V inverters.

Hossen, Tareq↗
DOE OSTI2026

Snow-eater heat waves of the western United States

Abrupt snowmelt, triggered by rain-on-snow events or "snow-eater heat waves," can cause flooding, initiate or accelerate snow drought, and affect water availability. However, the characteristics (e.g., area, duration, and frequency), impacts, and trends of snow-eater heat waves have received little attention. To address this gap, we developed a method to identify snow-eater heat waves and estimate their melt potential using 20th Century Reanalysis version 3 air temperature data, the TempestExtremes algorithm, and an operational snowmelt model (SNOW-17) across 1850-2015. Melt season snow-eater heat waves typically last 3 to 5 days, with three to five events, doubling snowmelt rates. Seven of 11 spring superfloods are shown to coincide with snow-eater heat waves. Since the 1850s, snow-eater heat waves have increased in area and frequency, decreased in duration, and shifted earlier in the melt season. Incorporating snow-eater heat-wave impacts into SNOW-17 enhances extreme melt estimates, improving water management support tools.

Rhoades, Alan M↗