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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 37 records · Page 2

Generation of gamma radiation by a subterawatt ultrashort laser pulse: optimisation of preplasma and pulse duration

We report an experimental and numerical study of the acceleration of electrons in a plasma interacting with a subterawatt laser pulse (intensity of ∼3 × 10{sup 18} W cm{sup −2} at a pulse duration of 50 fs). A preplasma layer on the surface of a molybdenum target is formed by an additional laser pulse with a duration of 8 ns and an intensity of ∼2 × 10{sup 12} W cm{sup −2}. It is shown that an increase in the laser pulse duration to 1700 fs at a constant energy (and a proportional decrease in intensity) leads to an increase in the yield of bremsstrahlung γ-radiation by more than an order of magnitude when the nanosecond pulse is ahead of the femtosecond one by 15 − 25 ns. Interferometry data and results of diagnostics of optical and γ-radiation of a plasma demonstrate that the collisional ionisation of atoms by electrons oscillating in the field of such a laser pulse plays an essential role in the formation of electron density profile. The sensitivity of the described effect to the level of amplified spontaneous emission is determined, despite the nanosecond pulse impact. Numerical simulations show that at a large pulse duration, the acceleration of electrons is stipulated by the beaking of plasma waves excited during stimulated Raman scattering of laser radiation. (paper)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spontaneously formed phonon frequency combs in van der Waals solid CrGeTe 3 and CrSiTe 3

Optical phonon engineering through nonlinear effects has been utilized in ultrafast control of material properties. However, nonlinear optical phonons typically exhibit rapid decay due to strong mode-mode couplings, limiting their effectiveness in temperature or frequency sensitive applications. Here we report the observation of long-lived nonlinear optical phonons through the spontaneous formation of phonon frequency combs in the van der Waals material CrXTe 3 (X=Ge, Si) using high-resolution Raman scattering. Unlike conventional optical phonons, the highest A g mode in CrGeTe 3 splits into equidistant, sharp peaks forming a frequency comb that persists for hundreds of oscillations and survives up to 200K. These modes correspond to localized oscillations of Ge 2 Te 6 clusters, isolated from Cr hexagons, behaving as independent quantum oscillators. Introducing a cubic nonlinear term to the harmonic oscillator model, we simulate the phonon time evolution and successfully replicate the observed comb structure. Similar frequency comb behavior is observed in CrSiTe 3 , demonstrating the generalizability of this phenomenon. Our findings demonstrate that Raman scattering effectively probes high-frequency nonlinear phonon modes, offering insight into the generation of long-lived, tunable phonon frequency combs with potential applications in ultrafast material control and phonon-based technologies.

36 MATERIALS SCIENCE↗

Effect of surface potential and charge transfer mechanism in reduced graphene oxide and magnetic nanocomposites

Highlights: • Cobalt oxide/reduced graphene oxide nanocomposites were prepared by hydrothermal method. • The of cobalt oxide nanoparticles on graphene oxide sheets leads modification of surface potential of graphene oxide sheets. • Modification of surface potential causes shifting of Fermi energy level of graphene oxide sheets due to charge transfer process. • The occurrence function of graphene oxide sheets modified from 4.5 eV to 5.8 eV by decoration of cobalt oxide nanoparticles on it. • The work of charge transfer between cobalt oxide nanoparticles and graphene oxide sheets also envisaged from Raman spectra. - Abstract: In this paper, the charge transfer mechanism in hydrothermally synthesized cobalt oxide/reduced graphene oxide (Co{sub 3}O{sub 4}/RGO) nanocomposites has been established. Scanning and transmission electron microscopy results expose the decoration of Co{sub 3}O{sub 4} nanoparticles on GO sheets. Magnetic response of nanocomposites was confirmed from superconducting quantum interference device magnetometer measurement. Raman spectroscopy investigated optical properties of these nanocomposites. The Raman spectra of Co{sub 3}O{sub 4}/RGO nanocomposites shows the enhancement of D and G bands which are associated with GO due to the Surface-enhanced Raman spectroscopy effect and blue shift. Increase in the full-width half-maximum value as well as upshift in D and G peaks are strong signals of association of charge transfer process between GO sheets and decorated Co{sub 3}O{sub 4} nanoparticles. The effect of charge transfer process is measured in the expression of shifting of Fermi energy level of Co{sub 3}O{sub 4}/RGO nanocomposites. Charge transfer is correlated with observed Raman shift and scanning Kelvin probe microscopy. XRD spectra of Co{sub 3}O{sub 4}/RGO confirm the polycrystalline nature of Co{sub 3}O{sub 4} nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Role of Ho Doping in Magnetization Mechanism of BiFeO{sub 3} Thin Films

BiFeO{sub 3} (BFO) as one of the considerable interesting multiferroic materials has been widely investigated for its fantastic science and potential application. Herein, effects of Ho doping on the structure, morphology, and magnetic properties of BFO thin films were systematically studied. X-ray diffraction (XRD) indicates a successful substitution of Ho at Bi site and a transition in crystal structure of Bi{sub 0.9}Ho{sub 0.1}FeO{sub 3} (BHFO) thin film. Raman scattering spectrum is further evidence of XRD analysis results. The Ho-doped BFO thin films possess uniform morphology. X-ray photoelectron spectroscopy (XPS) confirms that the substitution of Bi{sup 3+} ions with Ho{sup 3+} ions is beneficial. The remanent magnetization of BHFO thin films is about three times than that of the BFO thin films under a maximum magnetic field of 15,000 Oe. And we systematically discussed several possible reasons for the enhancement of magnetization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the Mechanism of Absorption and Restoration of Radiation Transmission in the Channel of Small-Scale Self-Focusing of a Short Laser Pulse in Neodymium Glass

When diagnosing a small-scale self-focusing (SSSF) channel of a 0.5-ns laser pulse with an intensity of 3–5 GW/cm{sup 2} in neodymium glasses, an absorption jump was detected (with a front of ≈0.5 ns) at wavelengths of 1.06 and 0.66 μm in addition to filament-like damage typical of SSSF, spectral broadening, and laser radiation scattering. The absorption coefficient reached 0.15 cm{sup –1}, and transmission in the medium was restored during 15–35 ns for phosphate glass and 5–10 ns for silicate glass. The physical bases of this effect of the appearance and relaxation of absorption in glasses have not been previously presented. An analysis of the experimental data showed that the absorption jump is due to the fast population of the {sup 4}I{sub 11/2} level of Nd{sup 3+} ions in glasses when nonlinear processes occur in the SSSF channel such as stimulated Raman scattering and broadening of the laser pulse spectrum. The relaxation time of the population at the {sup 4}I{sub 11/2} level and the restoration of transmission in glasses after the termination of the laser pulse are determined by the characteristic sizes of the Nd{sup 3+} ions excitation regions arising in the samples upon interference of the laser and scattered radiation, as well as the thermophysical characteristics of the glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural and vibrational properties of methane up to 71 GPa

Single-crystal synchrotron x-ray diffraction, Raman spectroscopy, and first principles calculations have been used to identify the structure of the high-pressure (HP) phase of molecular methane above 20 GPa up to 71 GPa at room temperature. The structure of the HP phase is trigonal R3, which can be represented as a distortion of the cubic phase B, previously documented at 7–15 GPa and confirmed here. The positions of hydrogen atoms in the HP phase have been obtained from first principles calculations, which also demonstrated the stability of this structure above 260 K at 25 GPa. The molecules occupy four different crystallographic sites in phase B and 11 sites in the HP phase, which result in splitting of molecular stretching modes detected in Raman spectroscopy and assigned here based on a good agreement with the Raman spectra calculated from the first principles. Furthermore, our study points out to a single HP phase unlike up to three HP phases proposed previously based on the Raman spectroscopy results only.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure and Optical Properties Of LiNbO{sub 3}:В Crystals Grown from Charges of Different Origins

It was shown that, without entering the structure of the crystal, boron can change the structure of the melt and have a significant effect on the fine features of the structure and the physical characteristics of lithium niobate crystals. Crystals grown from a charge doped with boron by the direct solid-phase method have a stronger photorefractive effect and a smaller forbidden band width than crystals grown from the re-extract doped homogeneously with boron at the niobium pentoxide extraction stage.

36 MATERIALS SCIENCE↗

Surface Enhanced Raman Scattering Selectivity in Proteins Arises from Electron Capture and Resonant Enhancement of Radical Species

Plasmon-enhanced Raman scattering is a powerful approach to detecting and characterizing proteins in live and dynamic biological systems. However, the selective detection/enhancement of specific residues as well as spectral diffusion and fluctuations have complicated the interpretation of enhanced Raman spectra and images of biological matter. In this paper, we therefore demonstrate that the amino acid tryptophan (Trp) can capture an electron from an excited plasmon, which generates a radical anion that is resonantly enhanced: a visible excited electronic state slides into resonance upon charging. This surface enhanced resonance Raman scattering (SERRS) mechanism explains the persistence of Trp signatures in the SERS and TERS spectra of proteins. Evidence for this picture includes the observation of visible resonances in the UV-Vis extinction spectrum, changes in the ground state vibrational spectrum, and plasmon-resonance dependent behavior. DFT calculations support the experimental observations. The behavior observed from the free Trp molecule is shown to explain the SERS spectrum of the Trp-cage protein. In effect, resonant Raman scattering from radicals formed through plasmonic excitation represents an under-investigated mechanism that may be exploited for chemical sensing applications. This work was supported by the National Institutes of Health Award R01-GM109988. The authors thank Hannah Shafaat for helpful discussions and providing an azurin sample for comparison. The authors also thank Joel Harris for providing constructive comments on our manuscript.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Raman Spectrum of Gaseous Propane in Methane

Pressure effects on the Raman spectrum of gaseous propane in methane are investigated. It is found that propane Raman bands located in the range 2700–3100 cm{sup –1} shift to lower frequencies although Raman bands in the range 300–1600 cm{sup –1} change negligibly as the density of the medium containing the analyzed propane increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optically Induced Anisotropy in Time-Resolved Scattering: Imaging Molecular-Scale Structure and Dynamics in Disordered Media with Experiment and Theory

Time-resolved scattering experiments enable imaging of materials at the molecular scale with femtosecond time resolution. However, in disordered media they provide access to just one radial dimension thus limiting the study of orientational structure and dynamics. Here we introduce a rigorous and practical theoretical framework for predicting and interpreting experiments combining optically induced anisotropy and time-resolved scattering. Using impulsive nuclear Raman and ultrafast x-ray scattering experiments of chloroform and simulations, we demonstrate that this framework can accurately predict and elucidate both the spatial and temporal features of these experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Radiolytic Gas Production from Aluminum Coupons (Alloy 1100 and 6061) in Helium Environments—Assessing the Extended Storage of Aluminum Clad Spent Nuclear Fuel

Corrosion of aluminium alloy clad nuclear fuel, during reactor operation and under subsequent wet storage conditions, promotes the formation of aluminium hydroxide and oxyhydroxide layers. These hydrated mineral phases and the chemisorbed and physisorbed waters on their surfaces are susceptible to radiation-induced processes that yield molecular hydrogen gas (H 2 ), which has the potential to complicate the long-term storage and disposal of aluminium clad nuclear fuel through flammable and explosive gas mixture formation, alloy embrittlement, and pressurization. Here, we present a systematic study of the radiolytic formation of H 2 from aluminium alloy 1100 (AA1100) and 6061 (AA6061) coupons in “dry” (~0% relative humidity) and “wet” (50% relative humidity) helium environments. Cobalt-60 gamma irradiation of both aluminium alloy types promoted the formation of H 2 , which increased linearly up to ~2 MGy, and afforded G-values of 1.1 ± 0.1 and 2.9 ± 0.1 for “dry” and “wet” AA1100, and 2.7 ± 0.1 and 1.7 ± 0.1 for “dry” and “wet” AA6061. The negative correlation of H 2 production with relative humidity for AA6061 is in stark contrast to AA1100 and is attributed to differences in the extent of corrosion and varying amounts of adsorbed water in the two alloys, as characterized using optical profilometry, scanning electron microscopy, Raman spectroscopy, and X-ray diffraction techniques.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Novel Hydrogen Clathrate Hydrate

We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal x-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches that of ice II, while hydrogen molecules are in the ring cavities, which results in the trigonal R3c or R¯3c space group (proton ordered or disordered, respectively) and the composition of ( H 2 O) 6 H 2 . Raman spectroscopy and theoretical calculations reveal a hydrogen disordered nature of the new phase $C$$^{'}_{1}$, distinct from the well-known ordered C 1 clathrate, to which this new structure transforms upon compression and/or cooling. Furthermore, this new clathrate phase can be viewed as a realization of a disordered ice II, unobserved before, in contrast to all other ordered ice structures.

36 MATERIALS SCIENCE↗

Characterization of the degradation of gamma-irradiated elastomers using Raman spectroscopy

This report presents key findings from Raman spectroscopic analysis of gamma-irradiated rubber samples extracted from a laminated lead-damped rubber (LDR) seismic isolation device. The samples were exposed to gamma radiation from a 60Co source in a Foss Therapy Services gamma irradiator, reaching absorbed doses up to 1600 kGy. A distinct threshold near 400 kGy was identified, beyond which significant spectral changes were observed. Two Raman peaks - at approximately 425 cm-1 and 2440 cm-1 - were tracked as a function of dose using Gaussian fitting. The 425 cm-1 peak, attributed to sulfur–sulfur (S–S) bond stretching (resulting from vulcanization of the rubber), exhibited a dose-dependent upshift, indicating radiation-induced crosslinking within the sulfur-based polymer network. Conversely, the 2440 cm-1 peak, likely associated with vibrational modes of additives or impurities, showed a downward shift with increasing dose, suggesting chain scission and degradation of non-rubber constituents. These results provide first-of-a-kind insights into the microstructural evolution of elastomers under high-dose gamma irradiation and establish a preliminary dose threshold for significant degradation. Future work will incorporate multi-modal characterization—including Fourier Transform Infrared (FTIR) spectroscopy, scanning electrom microscopy (SEM) of the rubber surface morphology, thermogravimetric analysis (TGA) to determine changes in thermal stability, and mechanical testing—to correlate molecular-level changes with macroscopic performance of these elastomers as damping media in seismic isolation devices. These findings are expected to provide regulatory guidance and design criteria for qualifying low-damping rubber seismic isolators in advanced nuclear reactor applications.

36 - MATERIALS SCIENCE↗

Phase transition systematics in BiVO 4 by means of high-pressure–high-temperature Raman experiments

We report here high-pressure–high-temperature Raman experiments performed on BiVO4. We characterized the fergusonite and scheelite phases (powder and single crystal samples) and the zircon polymorph (nanopowder). The experimental results are supported by ab initio calculations, which, in addition, provide the vibrational patterns. The temperature and pressure behavior of the fergusonite lattice modes reflects the distortions associated with the ferroelastic instability. The linear coefficients of the zircon phase are in sharp contrast to the behavior observed in the fergusonite phase. The boundary of the fergusonite-to-scheelite second-order phase transition is given by T F–Sch (K) = –166(8) P (GPa) + 528(5). The zircon-to-scheelite, irreversible, first-order phase transition takes place at T Z–Sch (K) = –107(8) P(GPa) + 690(10). We found evidence of additional structural changes around 15.7 GPa, which in the downstroke were found to be not reversible. We analyzed the anharmonic contribution to the wave-number shift in fergusonite using an order parameter. As a result, the introduction of a critical temperature depending both on temperature and pressure allows for a description of the results of all the experiments in a unified way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Size-dependent structural phase transitions and their correlation with photoluminescence and optical absorption behavior of annealed Zn0.45Cd0.55S quantum dots

Highlights: • Thermal Induced Structural Phase transition in nanostructured Zn{sub 0.45}Cd{sub 0.55}S. • Low temperature structural phase transition from cubic to hexagonal structure. • Thermal annealing effect on FTIR and Raman Spectra. • Thermal annealing effect on optical absorption of Zn{sub 0.45}Cd{sub 0.55}S nanoparticles. • Excitation-wavelength dependent photoluminescence emission spectra. - Abstract: In this paper, we investigate the effect of thermally induced structural phase transitions on the photoluminescence (PL) and optical absorption behaviour of Zn{sub 0.45}Cd{sub 0.55}S nanoparticles (NPs). Analysis of X-ray diffraction (XRD) patterns and high-resolution electron microscope (HRTEM) images reveal that the as-synthesized sample possesses zinc-blende-type cubic structure. In addition, at annealing temperature (T{sub a}) 400 °C, the cubic structure transforms completely into the wurtzite-type hexagonal structure. Furthermore, the second phase transition of the as-synthesized sample has observed at 700 °C, where the cubic structure has transformed into mixed polycrystalline phases of hexagonal ZnO, cubic CdO, monoclinic CdSO{sub 3}, and orthorhombic ZnSO{sub 4} structures. These new phases have also confirmed from the analysis of Raman and FTIR spectra. Analysis of UV–visible optical absorption spectra demonstrates that Increasing T{sub a} results in the decrease of optical band gap due the improvement in crystallinity accompanied by the increase in the particle size. The PL emission bands at an excitation energy of 3.818 eV exhibit redshift and a decrease in the intensity with increasing T{sub a} up to 500 °C. Meanwhile, further increase in T{sub a} up to 700 °C results in the enhancement of green emission intensity. On the other hand, PL emission spectra at 3.354 eV and T{sub a} 700 °C, reveal a dramatic increase in the emission intensity nearly by one-order of magnitude with respect to its value of the as-synthesized sample. This behaviour is ascribed to the incorporation of oxygen-related defects via thermal annealing in air, which act as additive radiative centers. Also, we have interpreted the observed spectral blue shift of PL emission spectrum with increasing excitation energy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Significantly increased Raman enhancement on defect-rich O-incorporated 1T-MoS 2 nanosheets

Improving charge transfer is the key to the performance of non-noble metal semiconductor-based surface enhanced Raman scattering (SERS) substrates. In this work, the O-incorporated 1T-MoS 2 nanosheets with rich sulfur defects (ID-MoS 2 ) are obtained by simple calcination of 1T-MoS 2 nanosheets in air atmosphere. Using rhodamine 6G (R6G) as typical probe molecules, ID-MoS 2 nanosheets show ultrahigh Raman enhancement effects with an enhancement factor of 1.24 × 10 7 due to sulfur defects and O incorporation in the 1T-MoS 2 lattice. First-principle density functional theory calculations suggest that the existence of sulfur defects and O incorporation significantly increase the Fermi energy level (E f ) and electronic density of states of ID-MoS 2 . Furthermore, O incorporation can enhance the interactions between the substrate and the adsorbed molecules through electrostatic and hydrogen bonding. All these improve the charge transfer resonance and result in the remarkable SERS activity of ID-MoS 2 nanosheets. This is the first study on the increasing SERS performance of semiconductor substrates by simultaneously employing defect and dopant incorporation. This study provides an approach to optimize the performance of semiconductor-based SERS substrates.

36 MATERIALS SCIENCE↗

Preparation and Studies of Thin Films of Cu-doped GdSr{sub 2}RuCu{sub 2}O{sub 8}

Preparation of superconducting thin films of the Cu-doped Ruthenocuprate superconductor GdSr{sub 2}Ru{sub 0.9}Cu{sub 2.1}O{sub 8} has been attempted by pulsed laser deposition method. Thin films were deposited on different substrates employing different laser ablation parameters with the idea of obtaining good-quality films which exhibit superconductivity. The crystal structure and morphology of the thin films were characterized by X-ray diffraction and scanning electron microscopy measurements and optical characteristics by Raman scattering measurements. High-temperature ex situ oxygen annealing led to the formation of homogeneous films with the occurrence of an onset of superconductivity, traced by electrical resistivity measurements. Increasing the annealing time has led to a systematic improvement in the sample quality and the physical properties. However, prolonged high-temperature annealing seems to cause deterioration in properties as seen from electrical resistivity and Raman scattering measurements. The studies reveal the importance of an optimal high-temperature oxygen annealing procedure to induce superconductivity in thin films of this Ruthenocuprate system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗