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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Recycling lead and transparent conductors from perovskite solar modules

Abstract Perovskite photovoltaics are gaining increasing common ground to partner with or compete with silicon photovoltaics to reduce cost of solar energy. However, a cost-effective waste management for toxic lead (Pb), which might determine the fate of this technology, has not been developed yet. Here, we report an end-of-life material management for perovskite solar modules to recycle toxic lead and valuable transparent conductors to protect the environment and create dramatic economic benefits from recycled materials. Lead is separated from decommissioned modules by weakly acidic cation exchange resin, which could be released as soluble Pb(NO 3 ) 2 followed by precipitation as PbI 2 for reuse, with a recycling efficiency of 99.2%. Thermal delamination disassembles the encapsulated modules with intact transparent conductors and cover glasses. The refabricated devices based on recycled lead iodide and recycled transparent conductors show comparable performance as devices based on fresh raw materials. Cost analysis shows this recycling technology is economically attractive.

14 SOLAR ENERGY↗
DOE OSTI2024

Integrated frequency-modulated optical parametric oscillator

Optical frequency combs have revolutionized precision measurement, time-keeping, and molecular spectroscopy. A substantial effort has developed around "microcombs": integrating comb-generating technologies into compact, reliable photonic platforms. Current approaches for generating these microcombs involve either the electro-optic (EO) or Kerr mechanisms. Despite rapid progress, maintaining high efficiency and wide bandwidth remains challenging. Here, we introduce a new class of microcomb -- an integrated optical frequency comb generator that combines electro-optics and parametric amplification to yield a frequency-modulated optical parametric oscillator (FM-OPO). In stark contrast to EO and Kerr combs, the FM-OPO microcomb does not form pulses but maintains operational simplicity and highly efficient pump power utilization with an output resembling a frequency-modulated laser. We outline the working principles of FM-OPO and demonstrate them by fabricating the complete optical system in thin-film lithium niobate (LNOI). We measure pump to comb internal conversion efficiency exceeding 93% (34% out-coupled) over a nearly flat-top spectral distribution spanning approximately 1,000 modes (approximately 6 THz). Compared to an EO comb, the cavity dispersion rather than loss determines the FM-OPO bandwidth, enabling broadband combs with a smaller RF modulation power. The FM-OPO microcomb, with its robust operational dynamics, high efficiency, and large bandwidth, contributes a new approach to the field of microcombs and promises to herald an era of miniaturized precision measurement, and spectroscopy tools to accelerate advancements in metrology, spectroscopy, telecommunications, sensing, and computing.

42 ENGINEERING↗
DOE OSTI2026

Small-molecule modulation of β-arrestins

β-Arrestins are multifunctional regulators of G-protein-coupled receptor (GPCR) signalling and orchestrate diverse downstream signalling events and physiological responses across the GPCR superfamily. Although GPCR pharmacology has advanced to target orthosteric and allosteric sites, as well as G proteins and GPCR kinases, direct chemical tools to modulate β-arrestin activities have remained conspicuously absent. Here we report the identification of small-molecule inhibitors that selectively target β-arrestins and delineate their mechanism of action through integrated pharmacological, biochemical, biophysical and structural analyses. These inhibitors disrupt β-arrestin engagement with agonist-activated GPCRs, impairing desensitization, internalization and β-arrestin-dependent physiological functions while sparing G protein–receptor coupling. Cryo-electron microscopy, molecular dynamics simulations and structure-guided mutagenesis reveal that one modulator, Cmpd-5, engages a pocket within the central crest of β-arrestin1 formed by the middle, C and lariat loops, a critical receptor-binding interface, stabilizing a distinct conformation that is incompatible with full β-arrestin–receptor engagement. Together, these findings establish a mechanistic framework for β-arrestin modulation, reveal a novel allosteric site for structure-based drug design, and open new avenues for transducer-targeted, pathway-specific GPCR therapeutic agents.

Kahsai, Alem W. [Duke University, Durham, NC (Unit↗
DOE OSTI2019

Structure of an allosteric modulator bound to the CB1 cannabinoid receptor

The CB1 receptor mediates the central nervous system response to cannabinoids, and is a drug target for pain, anxiety and seizures. CB1 also responds to allosteric modulators, which influence cannabinoid binding and efficacy. To understand the mechanism of these compounds, we solved the crystal structure of CB1 with the negative allosteric modulator (NAM) ORG27569 and the agonist CP55940. The structure reveals that the NAM binds to an extrahelical site within the inner leaflet of the membrane, which overlaps with a conserved site of cholesterol interaction in many G protein-coupled receptors (GPCRs). The ternary structure with ORG27569 and CP55940 captures an intermediate state of the receptor, in which aromatic residues at the base of the agonist-binding pocket adopt an inactive conformation despite the large contraction of the orthosteric pocket. The structure illustrates a potential strategy for drug modulation of CB1 and other class A GPCRs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Ligand modulation of the conformational dynamics of the A 2A adenosine receptor revealed by single-molecule fluorescence

G protein-coupled receptors (GPCRs) are the largest class of transmembrane proteins, making them an important target for therapeutics. Activation of these receptors is modulated by orthosteric ligands, which stabilize one or several states within a complex conformational ensemble. The intra- and inter-state dynamics, however, is not well documented. Here, we used single-molecule fluorescence to measure ligand-modulated conformational dynamics of the adenosine A 2A receptor (A 2A R) on nanosecond to millisecond timescales. Experiments were performed on detergent-purified A 2R in either the ligand-free (apo) state, or when bound to an inverse, partial or full agonist ligand. Single-molecule Förster resonance energy transfer (smFRET) was performed on detergent-solubilized A 2A R to resolve active and inactive states via the separation between transmembrane (TM) helices 4 and 6. The ligand-dependent changes of the smFRET distributions are consistent with conformational selection and with inter-state exchange lifetimes ≥ 3 ms. Local conformational dynamics around residue 229 6.31 on TM6 was measured using fluorescence correlation spectroscopy (FCS), which captures dynamic quenching due to photoinduced electron transfer (PET) between a covalently-attached dye and proximal aromatic residues. Global analysis of PET-FCS data revealed fast (150–350 ns), intermediate (50–60 μs) and slow (200–300 μs) conformational dynamics in A 2A R, with lifetimes and amplitudes modulated by ligands and a G-protein mimetic (mini-G s ). Most notably, the agonist binding and the coupling to mini-G s accelerates and increases the relative contribution of the sub-microsecond phase. Molecular dynamics simulations identified three tyrosine residues (Y112, Y288 7.53 , and Y290 7.55 ) as being responsible for the dynamic quenching observed by PET-FCS and revealed associated helical motions around residue 229 6.31 on TM6. As a result, this study provides a quantitative description of conformational dynamics in A 2A R and supports the idea that ligands bias not only GPCR conformations but also the dynamics within and between distinct conformational states of the receptor.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

110 GHz, 110 mW hybrid silicon-lithium niobate Mach-Zehnder modulator

High bandwidth, low voltage electro-optic modulators with high optical power handling capability are important for improving the performance of analog optical communications and RF photonic links. Here we designed and fabricated a thin-film lithium niobate (LN) Mach-Zehnder modulator (MZM) which can handle high optical power of 110 mW, while having 3-dB bandwidth greater than 110 GHz at 1550 nm. The design does not require etching of thin-film LN, and uses hybrid optical modes formed by bonding LN to planarized silicon photonic waveguide circuits. A high optical power handling capability in the MZM was achieved by carefully tapering the underlying Si waveguide to reduce the impact of optically-generated carriers, while retaining a high modulation efficiency. The MZM has a $V_πL$ product of 3.1 V.cm and an on-chip optical insertion loss of 1.8 dB.

42 ENGINEERING↗
DOE OSTI2026

Discovery of magnetic-field-tunable density modulations and spin tilting in a layered altermagnet

Altermagnets recently emerged as a new class of magnetic materials, arising from specific spin crystal symmetries. They exhibit a spin-polarized electronic band structure similar to ferromagnets, yet possess zero net magnetization, promising exotic properties. Here we study a layered triangular lattice altermagnet, cobalt-intercalated NbSe 2 using scanning tunneling microscopy and spectroscopy (STM/S). Spectroscopic-imaging STM and spin-polarized STM reveals emergent 2 a 0 tri-directional charge and spin density modulations on the selenium surface. Density functional theory simulations suggest these modulations reflect the underlying cobalt superstructure. We discover that an out-of-plane magnetic field tunes the modulation amplitudes and the electronic density-of-states in a manner dependent on the field direction and strength. This behavior is attributed to the field-induced tilting of cobalt spins, which can have profound implications on the electronic properties of the altermagnet. Our results provide atomic-scale insights to uncover a magnetic-field tunable altermagnetic band structure, highlight the importance of understanding spin canting in altermagnets.

condensed-matter physics↗
DOE OSTI2021

Molecular mechanism of secreted amyloid-β precursor protein in binding and modulating GABABR1a

A recent phenomenal study discovered that the extension domain of secreted amyloid-β precursor protein (sAPP) can bind to the intrinsically disordered sushi 1 domain of the γ-aminobutyric acid type B receptor subunit 1a (GABA B R1a) and modulate its synaptic transmission. The work provided an important structural foundation for the modulation of GABA B R1a; however, the detailed molecular interaction mechanism, crucial for future drug design, remains elusive. Here, we further investigated the dynamical interactions between sAPP peptides and the natively unstructured sushi 1 domain using all-atom molecular dynamics simulations, for both the 17-residue sAPP peptide (APP 17-mer) and its minimally active 9 residue segment (APP 9-mer). We then explored mutations of the APP 9-mer with rigorous free energy perturbation (FEP) calculations. Our in silico mutagenesis studies revealed key residues (D4, W6, and W7) responsible for the binding with the sushi 1 domain. More importantly, one double mutation based on different vertebrate APP sequences from evolution exhibited a stronger binding (ΔΔG = -1.91 ± 0.66 kcal mol -1 ), indicating a potentially enhanced GABA B R1a modulator. These large-scale simulations may provide new insights into the binding mechanism between sAPP and the sushi 1 domain, which could open new avenues in the development of future GABA B R1a-specific therapeutics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Metabolite releasing polymers control dendritic cell function by modulating their energy metabolism

Metabolites control immune cell functions, and delivery of these metabolites in a sustained manner may be able to modulate function of the immune cells. In this study, alpha-ketoglutarate (aKG) and diol based polymeric-microparticles (termed paKG MPs) were synthesized to provide sustained release of aKG and promote an immunosuppressive cellular phenotype. Notably, after association with dendritic cells (DCs), paKG MPs modulated the intracellular metabolic-profile/pathways, and decreased glycolysis and mitochondrial respiration in vitro. These metabolic changes resulted in modulation of MHC-II, CD86 expression in DCs, and altered the frequency of regulatory T cells (Tregs), and T-helper type-1/2/17 cells in vitro. In conclusion, this unique strategy of intracellular delivery of key-metabolites in a sustained manner provides a new direction in immunometabolism field-based immunotherapy with potential applications in different diseases associated with immune disorders.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Doping-modulated strain control of bifunctional electrocatalysis for rechargeable zinc–air batteries

Changes in the local atomic arrangement in a crystal caused by lattice-mismatch-induced strain can efficiently regulate the performance of electrocatalysts for zinc–air batteries (ZABs) in many manners, mainly due to modulated electronic structure configurations that affect the adsorption energies for oxygen-intermediates formed during oxygen reduction and evolution reactions (ORR and OER). However, the application of strain engineering in electrocatalysis has been limited by the strain relaxation caused by structural instability such as dissolution and destruction, leading to insufficient durability towards the ORR/OER. In this work, we propose a doping strategy to modulate the phase transition and formation of self-supported cobalt fluoride–sulfide (CoFS) nanoporous films using a low amount of copper (Cu) as a dopant. This well-defined Cu–CoFS heterostructure overcomes the obstacle of structural instability. Our study of the proposed Cu–CoFS also helps establish the structure–property relationship of strained electrocatalysts by unraveling the role of local strain in regulating the electronic structure of the catalyst. As a proof-of-concept, the Cu–CoFS electrocatalyst with doping-modulated strain exhibited superior onset potentials of 0.91 V and 1.49 V for the ORR and OER, respectively, surpassing commercial Pt/C@RuO 2 and benchmarking non-platinum group metal (non-PGM) catalysts. ZABs with the Cu–CoFS catalyst delivered excellent charge/discharge cycling performance with an extremely low voltage gap of 0.5 V at a current density of 10 mA cm –2 and successively 0.93 V at a high current density of 100 mA cm –2 and afforded an outstanding peak power density of 255 mW cm –2 .

25 ENERGY STORAGE↗
DOE OSTI2017

Hydrodynamic instability growth of three-dimensional modulations in radiation-driven implosions with “low-foot” and “high-foot” drives at the National Ignition Facility

Hydrodynamic instability growth has been studied using three-dimensional (3-D) broadband modulations by comparing “high-foot” and “low-foot” spherical plastic (CH) capsule implosions at the National Ignition Facility (NIF). The initial perturbations included capsule outer-surface roughness and capsule-mounting membranes (“tents”) that were similar to those used in a majority of implosions on NIF. The tents with thicknesses of 31-nm, 46-nm, and 109-nm were used in the experiments. The outer-surface roughness in the “low-foot” experiment was similar to the standard specification, while it was increased by ~4 times in the “high-foot” experiment to compensate for the reduced growth. The ablation-front instability growth was measured using a Hydrodynamic Growth Radiography platform at a convergence ratio of 3. The dominant capsule perturbations, generated by the tent mountings, had measured perturbation amplitudes comparable to the capsule thickness with the “low-foot” drive. These tent perturbations were reduced by ~3 to 10 times in implosions with the “high-foot” drive. Unexpectedly, the measured perturbations with initially thinner tents were either larger or similar to the measured perturbations with thicker tents for both “high-foot” and “low-foot” drives. While the measured instability growth of 3-D broadband perturbations was also significantly reduced by ~5 to 10 times with the “high-foot” drive, compared to the “low-foot” drive, the growth mitigation was stronger than expected based on previous “growth-factor” results measured with two-dimensional modulations. Lastly, one of the hypotheses to explain the results is based on the 3-D modulations of the oxygen content in the bulk of the capsule having a stronger effect on the overall growth of capsule perturbations than the outer-surface capsule roughness.

42 ENGINEERING↗
DOE OSTI2018

Phase modulation failsafe system for multi-kJ lasers based on optical heterodyne detection

Amplification of the transverse scattered component of stimulated Brillouin scattering (SBS) can contribute to optical damage in the large aperture optics of multi-kJ lasers. Because increased laser bandwidth from optical phase modulation (PM) can suppress SBS, high energy laser amplifiers are injected with PM light. Phase modulation distributes the single-frequency spectrum of a master oscillator laser among individual PM sidebands, so a sufficiently high modulation index β can maintain the fluence for all spectral components below the SBS threshold. To avoid injection of single frequency light in the event of a PM failure, a high-speed PM failsafe system (PMFS) must be employed. Because PM is easily converted to AM, essentially all PM failsafes detect AM, with the one described here employing a novel configuration where optical heterodyne detection converts PM to AM, followed by passive AM power detection. Although the PMFS is currently configured for continuous monitoring, it can also detect PM for pulse durations ≥2 ns and could be modified to accommodate shorter pulses. This PMFS was deployed on the Z-Beamlet Laser (ZBL) at Sandia National Laboratories, as required by an energy upgrade to support programs at Sandia’s Z Facility such as magnetized liner inertial fusion. Depending on the origin of a PM failure, the PMFS responds in as little as 7 ns. In the event of an instantaneous failure during initiation of a laser shot, this response time translates to a 30–50 ns margin of safety by blocking a pulse from leaving ZBL’s regenerative amplifier, which prevents injection of single frequency light into the main amplification chain. In conclusion, the performance of the PMFS, without the need for operator interaction, conforms to the principles of engineered safety.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Determination of acoustic nonlinearity parameters using thermal modulation of ultrasonic waves

This study presents a test method and its theoretical framework to determine the acoustic nonlinearity parameters (α, β, δ) of material using thermal modulation of ultrasonic waves. Temperature change-induced thermal strain excites the nonlinear response of the material and modulates the ultrasonic wave propagating in it. Experimental results showed a strong correlation between the relative wave velocity change and the temperature change. With a quadratic polynomial model, the acoustic nonlinearity parameters were obtained from the polynomial coefficients by curve fitting the experimental data. Their effects on thermal-induced velocity change were discussed. The parameters α, β, and δ govern the hysteretic gap, average slope, and curvature of the correlation curve, respectively. The proposed theory was validated on aluminum, steel, intact and damaged concrete samples. The obtained nonlinear parameters show reasonable agreement with values reported in the literature. Compared to other nonlinear acoustic methods using vibration or acoustic excitation, the thermal modulation method generates more uniform, slow changing, and larger strain field in the test sample. Employing the thermal effect as the driving force for nonlinearity instead of an undesired influencing factor, this method can measure the absolute values of α, β, and δ with good accuracy using a simple ultrasonic test setup.

Physics↗
DOE OSTI2021

Illumination-induced modulation of conductivity and Gunn oscillation properties in epitaxial GaAs

In this work, we illuminate a gallium arsenide (GaAs) Gunn device and study the light-induced changes of Gunn oscillation properties. We observe that illumination leads to the modulation of the Gunn threshold voltage, the Gunn oscillation magnitude, and the coherency of Gunn oscillation, with the nature of the modulation being closely related to the position of illumination on the device. These effects are attributed to the generation of optically excited carriers, which results in the modulation of conductivity and the electric field profile along the device. The finite element method is used to simulate the change of the field profile of the Gunn device caused by illumination. We also report an unexpected phenomenon of Gunn oscillation property manipulation with an optical chopper. In addition, wavelength-dependent, power-dependent, and pulsed illumination measurements are performed to help with further understanding the observations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Gate-tunable modulation of the optical properties of multilayer graphene by the reversible intercalation of ionic liquid anions

We demonstrate a substantial modulation of the optical properties of multilayer graphene (~100 layers) using a simple device consisting of a multilayer graphene/polymer electrolyte membrane/gold film stack. Applying a voltage of 3–4 V drives the intercalation of anion [TFSI] - [ion liquid diethylmethyl(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide [DEME][TFSI]] resulting in the reversible modulation of the properties of this optically dense material. Upon intercalation, we observe an abrupt shift of 35 cm -1 in the G band Raman mode, an abrupt increase in FTIR reflectance over the wavelength range from 1.67 to 5 $μ$m (2000–6000 cm -1 ), and an abrupt increase in luminescent background observed in the Raman spectra of graphene. Furthermore, all of these abrupt changes in the optical properties of this material arise from the intercalation of the TFSI - ion and the associated change in the free carrier density (Δ$n$ = 10 20 cm -3 ). Suppression of the 2D band Raman mode observed around 3 V corresponds to Pauli blocking of the double resonance Raman process and indicates a modulation of the Fermi energy of Δ$E$ F = 1.1 eV.

42 ENGINEERING↗
DOE OSTI2023

Direct density modulation of photo-assisted field emission from an RF cold cathode

This paper explores direct density modulation of high-current electron beam emission from an RF cold cathode using optical excitation. We theoretically study the photo-assisted field emission of periodically bunched electron beams of various pulse shapes under the combined excitation of an RF field and an optical field, using an exact quantum model. Both continuous-wave (CW) and pulsed optical fields are considered. The emission current pulse amplitude, pulse width, electron number density per pulse, as well as pulse shape and its harmonic contents are investigated in detail. For CW photon sources in the UV to NIR range (i.e., 200–1200 nm), increasing the optical intensity under an RF bias tends to change the current pulse from a Gaussian to sinusoidal-like shape, thus offering strong flexibility to control the frequency components in beam current emission. Pulsed photon sources combined with an RF field can produce sharp, high-current electron bunches with pulse duration comparable with or even less than that of the optical pulse. A contour map of the density modulation depth is constructed for different combinations of RF and laser fields. The results provide insight into unlocking new opportunities to achieve direct density modulation during electron current emission by optical means.

Physics↗
DOE OSTI2024

Selective modulation of electronic transport in VO 2 induced by 10 keV helium ion irradiation

Vanadium dioxide (VO 2 ) manifests an abrupt metal–insulator transition (MIT) from monoclinic to rutile phases, with potential use for tunable electronic and optical properties and spiking neuromorphic devices. Understanding pathways to modulate electronic transport in VO 2 , as well as its response to irradiation (e.g., for space applications), is critical to better enable these applications. In this work, we investigate the selective modulation of electronic transport in VO 2 films subject to different 10 keV helium ion (He + ) fluences. Under these conditions, the resistivity in the individual monoclinic and rutile phases varied by 50%–200%, while the MIT transformation temperature remains constant within 4 °C independent of irradiation fluence. Importantly, different trends in the resistivity of the monoclinic and rutile phases were observed both as a function of total He fluence as well as in films grown on different substrates (amorphous SiO 2 /Si vs single crystal Al 2 O 3 ). Through a combination of measurements including majority carrier sign via Seebeck, low frequency noise, and TEM, our investigation supports the presence of different kinds of point defects (V in; O in), which may arise due to grain boundary defect interactions. Our work suggests the utility of He irradiation for the selective modulation of VO 2 transport properties for neuromorphic, in contrast to other established but non-selective methods, like doping.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures

We have used surface plasmon resonant metal gratings to induce and probe the dielectric response (i.e., electro-optic modulation) of ionic liquids (ILs) at electrode interfaces. Here, the cross-plane electric field at the electrode surface modulates the refractive index of the IL due to the Pockels effect. This is observed as a shift in the resonant angle of the grating (i.e., Δϕ), which can be related to the change in the local index of refraction of the electrolyte (i.e., Δnlocal). The reflection modulation of the IL is compared against a polar (D2O) and a non-polar solvent (benzene) to confirm the electro-optic origin of resonance shift. The electrostatic accumulation of ions from the IL induces local index changes to the gratings over the extent of electrical double layer (EDL) thickness. Finite difference time domain simulations are used to relate the observed shifts in the plasmon resonance and change in reflection to the change in the local index of refraction of the electrolyte and the thickness of the EDL. Simultaneously using the wavelength and intensity shift of the resonance enables us to determine both the effective thickness and Δn of the double layer. We believe that this technique can be used more broadly, allowing the dynamics associated with the potential-induced ordering and rearrangement of ionic species in electrode–solution interfaces.

Chemistry↗