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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficient and tunable blue light generation using lithium niobate nonlinear photonics

Thin-film lithium niobate (LN) has recently emerged as a playground for chip-scale nonlinear optics and leads to efficient frequency conversions from near-infrared to near-visible bands. For many nonlinear and quantum photonics applications, it is desirable to operate deep into the visible band within LN's transparency window. However, the strong material dispersion at short wavelengths makes phase-matching difficult, necessitating sub-micrometer scale control of domain structures for efficient phase-matching. Here, we report the operation of thin film LN in the blue wavelength and high fidelity poling of the thin-film LN waveguide to this regime. As a result, quasi-phase matching is realized between IR (871 nm) and blue (435.5 nm) wavelengths in a straight waveguide and prompts strong blue light generation with a conversion efficiency (1040% ± 140%/W). This blue second harmonic generator exhibits stable temperature tunability, which is important for applications that require precise frequency alignment, such as atomic clocks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Core-shell metallic alloy nanopillars-in-dielectric hybrid metamaterials with magneto-plasmonic coupling

Combining plasmonic and magnetic properties, namely magneto-plasmonic coupling, inspires great research interest and the search for magneto-plasmonic nanostructure becomes considerably critical. In this work, we designed a nanopillar-in-matrix structure with core–shell alloyed nanopillars for both BaTiO 3 (BTO)-Au 0.5 Co 0.5 (AuCo) and BTO-Au 0.25 Cu 0.25 Co 0.25 Ni 0.25 (AuCuCoNi) hybrid systems, i.e., ferromagnetic alloy cores (e.g., Co or CoNi) with plasmonic shells (e.g., Au or Au/Cu). These core–shell alloy nanopillars are uniformly embedded into a dielectric BTO matrix to form a vertically aligned nanocomposite (VAN) structure. Both hybrid systems present excellent epitaxial quality and interesting multi-functionality, e.g., high magnetic anisotropy, magneto-optical coupling response, tailorable plasmonic resonance wavelength, tunable hyperbolic properties and strong optical anisotropy. These alloyed nanopillars-in-matrix designs provide enormous potential for complex hybrid material designs with multi-functionality and demonstrate strong interface enabled magneto-plasmonic coupling along with plasmonic and magnetic performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Field retrieved photovoltaic backsheet survey from diverse climate zones: Analysis of degradation patterns and phenomena

Understanding the impact of climate stressors on photovoltaic (PV) backsheet degradation in real-use conditions is critical to improve the accelerated testing exposures, extend the backsheet lifetime, and increase the confidence in PV reliability. Here, in this work, a total of 33 PV module backsheets were retrieved from six climatic zones worldwide with 2 - 28 years of exposure. These modules included five types of backsheet air-side materials (or outer layer): poly(vinylidene fluoride) (PVDF), poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), and polyamide (PA). Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was used to identify air-side materials. The degradation induced color change, gloss loss, and chemical material changes analyzed using optical microscopy, differential scanning calorimetry (DSC), scanning electron microscopy (SEM), colorimetry (yellowness index (YI)), and gloss measurements. PVDF, THV, and PVF air-side layer backsheets, in particular PVF, had minimal degradation in the air-side layer appearance and chemical structures after exposure in different climatic zones. The PET air-side backsheets exhibited obvious color increase (22.55 YI units after about 9 years exposure) and the PA/PA/PA backsheets showed large gloss loss (up to 76.4 %) relative to the unexposed backsheets. Severe cracks between cells that penetrated through the entire thickness of backsheets are observed on PA/PA/PA backsheets after 4-6 years of exposure in 6 climatic zones. The current indoor exposure standards were not sufficient to identify this degradation type. However, fluoropolymer based PV backsheets showed lower levels of degradation predictors and increased climatic resistance. Specific samples (PVF) showed little change from baseline after 28 years of outdoor exposure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Low Thermal Conductivity in Heteroanionic Materials with Layers of Homoleptic Polyhedra

Although BiAgOSe, an analogue of a well-studied thermoelectric material BiCuOSe, is thermodynamically stable, its synthesis is complicated by the low driving force of formation from the stable binary and ternary intermediates. Here we have developed a “subtraction strategy” to suppress byproducts and produce pure phase BiAgOSe using hydrothermal methods. Electronic structure calculations and optical characterization show that BiAgOSe is an indirect bandgap semiconductor with a bandgap of 0.95 eV. The prepared sample exhibits lower lattice thermal conductivities (0.61 W·m –1 ·K –1 at room temperature and 0.35 W·m –1 ·K –1 at 650 K) than BiCuOSe. Further, lattice dynamical simulations and variable temperature diffraction measurements demonstrate that the low lattice thermal conductivity arises from both the low sound velocity and high phonon–phonon scattering rates in BiAgOSe. These in turn result primarily from the soft Ag–Se bonds in the edge-sharing AgSe 4 tetrahedra and large sublattice mismatch between the quasi-two-dimensional [Bi 2 O 2 ] 2+ and [Ag 2 Se 2 ] 2– layers. These results highlight the advantages of manipulating the chemistry of homoleptic polyhedra in heteroanionic compounds for electronic structure and phonon transport control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Optical interference for the guidance of cryogenic focused ion beam milling beyond the axial diffraction limit

Cryogenic focused ion beam (Cryo-FIB) milling has become a standard step in the cryogenic electron tomography (Cryo-ET) workflow and is required to thin cells to electron-semitransparency. However, this destructive process removes the vast majority of the cellular material and raises a critical question: what thin section should be preserved for Cryo-ET analysis? Using a tri-coincident cryogenic FIB-SEM-LM system, we identify an interferometric optical response that can be used for targeting lamella production to fluorescently labeled structures with accuracy beyond the diffraction limit. Here we demonstrate this approach using synthetic samples of fluorescent beads embedded in micron-scale droplets of amorphous ice. We then apply the approach to capture virions inside host cells. Successful targeting is confirmed by Cryo-ET revealing clusters of virions in intracellular vesicles. The method does not require any fluorescent fiducials or axial registration and can be performed on any fluorescently labeled structure that is visible in widefield fluorescence microscopy.

Cryoelectron microscopy↗
DOE OSTI2025

Revealing the electronic structure of the current-induced metastable state in 1T-TaS 2

Among the key features for next-generation memory devices is the need for high-contrast switching between metallic and insulating states with fast switching speed and long lifetime. However, materials exhibiting such properties are rare, and their electronic structure is often poorly understood. Here, by combining state-of-the-art devices with angle-resolved photoemission spectroscopy, we study the emergence of a metastable metallic state from the insulating ground state in the charge-density wave (CDW) material 1T-TaS 2 after applying short current pulses. Analysis of the electronic structure suggests a picture in which 1T-TaS 2 transforms from a band insulator in the commensurate CDW ground state to a correlated metal in the metastable state. Moreover, the optically induced metastable state reveals a strong similarity to the current-induced one. This work provides an extensive characterization of metastable order in 1T-TaS 2 and proves how studying electronic properties under in-operando conditions is a critical step for next-generation devices.

Huber, Maximilian [Lawrence Berkeley National Labo↗
DOE OSTI2025

Dynamic signatures of spin-lattice coupling in the layered ferrimagnet Mn 3 Si 2 Te 6

Magnetic van der Waals (vdW) materials exhibit a profound interconnectedness between their various degrees of freedom, pointing to a wealth of potential applications in low-power and high-speed spintronic devices. Recently, light-matter interactions have been leveraged as robust, dynamic pathways to gain control over the properties of vdW magnets through the use of ultrafast pulses of light. Here, we utilize ultrafast photoexcitation to drive coherent lattice oscillations in the layered ferrimagnetic crystal Mn 3 Si 2 Te 6 , which significantly stiffen below the magnetic ordering temperature. We suggest that this is due to an exchange-mediated contraction of the lattice, stemming from strong magneto-structural coupling in this material. Furthermore, simulations of the transient incoherent response uncover the critical role of the spin-mediated electronic relaxation pathways. These results underscore the importance of spin-lattice coupling in vdW magnets and demonstrate a promising strategy for their dynamic optical control via their entangled degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling the intrinsic atomic physics behind x-ray absorption line shifts in warm dense silicon plasmas

Here, we present a novel free-energy density functional theory (DFT)-based methodology for optical property calculations of warm dense matter to cover a wide range of thermodynamic conditions and photon energies including the entire x-ray range. It uses Mermin–Kohn–Sham density functional theory with exchange-correlation (XC) thermal effects taken into account via a fully temperature dependent generalized gradient approximation XC functional. The methodology incorporates a combination of the ab initio molecular dynamics (AIMD) snapshotted Kubo–Greenwood optic data with a single-atom in simulation cell calculations to close the photon energy gap between the L and K edges and extend the K-edge tail toward many-keV photon energies. This gap arises in the standard scheme due to a prohibitively large number of bands required for the Kubo–Greenwood calculations with AIMD snapshots. Kubo–Greenwood data on snapshots provide an accurate description of optic properties at low photon frequencies slightly beyond the L-edge and x-ray absorption near edges structure (XANES) spectra, while data from periodic calculations with single atoms cover the tail regions beyond the edges. To demonstrate its applicability to mid-Z materials where the standard DFT-based approach is not computationally feasible, we have applied it to opacity calculations of warm dense silicon plasmas. These first-principles calculations revealed a very interesting phenomon of red-to-blue shift in K–L (1s → 2p) and K-edge absorptions along both isotherm and isochore, which are absent in most continuum-lowering models of traditional plasma physics. This new physics phenomenon can be attributed to the underlying competition between the screening of deeply bound core electrons and the screening of outer-shell electrons caused by warm-dense-plasma conditions. We further demonstrate that the ratio of 1s → 2p to the K-edge x-ray absorptions can be used to characterize warm-dense-plasma conditions. Eventually, based on our absorption calculations, we have established a first-principles opacity table (FPOT) for silicon in a wide range of material densities and temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Composite Fermi Liquid at Zero Magnetic Field in Twisted MoTe 2

Here, the pursuit of exotic phases of matter outside of the extreme conditions of a quantizing magnetic field is a long-standing quest of solid state physics. Recent experiments have observed spontaneous valley polarization and fractional Chern insulators in zero magnetic field in twisted bilayers of MoTe 2 , at partial filling of the topological valence band (ν =-2/3 and -3/5). We study the topological valence band at half filling, using exact diagonalization and density matrix renormalization group calculations. We discover a composite Fermi liquid (CFL) phase even at zero magnetic field that covers a large portion of the phase diagram near twist angle ~3.6°. The CFL is a non-Fermi liquid phase with metallic behavior despite the absence of Landau quasiparticles. We discuss experimental implications including the competition between the CFL and a Fermi liquid, which can be tuned with a displacement field. The topological valence band has excellent quantum geometry over a wide range of twist angles and a small bandwidth that is, remarkably, reduced by interactions. These key properties stabilize the exotic zero field quantum Hall phases. Finally, we present an optical signature involving “extinguished” optical responses that detects Chern bands with ideal quantum geometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Space Applications Industrial Laser System (SAILS)

A program is underway to develop a YAG laser based materials processing workstation to fly in the cargo bay of the Space Shuttle. This workstation, called Space Applications Industrial Laser System (SAILS), will be capable of cutting and welding steel, aluminum, and Inconel alloys of the type planned for use in constructing the Space Station Freedom. As well as demonstrating the ability of a YAG laser to perform remote (fiber-optic delivered) repair and fabrication operations in space, fundamental data will be collected on these interactions for comparison with terrestrial data and models. The flight system, scheduled to fly in 1996, will be constructed as three modules using standard Get-Away-Special (GAS) canisters. The first module holds the laser head and cooling system, while the second contains a high peak power electrical supply. The third module houses the materials processing workstation and the command and data acquisition subsystems. The laser head and workstation cansisters are linked by a fiber-optic cable to transmit the laser light. The team assembled to carry out this project includes Lumonics Industrial Products (laser), Tennessee Technological University (structural analysis and fabrication), Auburn University Center for Space Power (electrical engineering), University of Waterloo (low-g laser process consulting), and CSTAR/UTSI (data acquisition, control, software, integration, experiment design). This report describes the SAILS program and highlights recent activities undertaken at CSTAR.

Mccay, T. D.↗
NASA NTRS1998

Microstructural Development of Directionally Solidified Hg(1-x)Zn(x)Se Alloys

Hg(1-x)Zn(x)Se alloys have been studied as an alternative to HgCdTe for the detection of electromagnetic radiation, because the shorter ZnSe and HgSe bonds were predicted to improve lattice stability. Previous studies showed that optical properties were stable with time and that the microhardness was higher than for HgTe based alloys. However, for this material to be commercially viable, compositional variations must be reduced, and the distribution of defects induced by the growth process must be understood. The basic structural properties of bulk materials were characterized, and dislocation etch pit densities were measured to determine whether the addition of Zn to the HgSe lattice reduced the potential for dislocation formation. Hg(0.9)Zn(0.1)Se alloys were directionally solidified using a modified Bridgman-Stockbarger method and in an applied magnetic field. Radial compositional variations were greatly reduced when solidification occurred in an applied magnetic field. The combination of a convex liquid-solid interface shape and a method for reduced wetting produced boules that were a single crystal after reaching full diameter. Observed surface features indicated ampoule wetting could be eliminated using a graphite getter. Microstructural characteristics were greatly improved over HgCdTe alloys, In six boules, a total of only one twin was observed, and no inclusions were found. A method for polishing and producing dislocation etch pits was developed for these alloys, revealing dislocation etch pit densities one to two orders of magnitude less than HgTe based alloys. A kink in the thermal profile during processing of one boule generated more dislocations than did lattice mismatch due to compositional variations. The results of this investigation indicate this alloy has improved microstructural properties and resistance to dislocation formation compared with similar II-VI alloys, and should be further investigated for the detection of electromagnetic radiation.

Cobb, S. D.↗
DOE OSTI2026

A Review of Advanced Characterization Methods and Techniques for Amorphous and Poorly Crystalline Materials Applicable to Cementitious Waste Forms

This review covers advanced characterization methods of cementitious materials. The particular focus is to understand cementitious compositions with amorphous content because conventional techniques such as X-ray diffraction are more applicable to materials with long range order. Also of interest is advanced characterization that provides deeper insights into properties such as porosity. There are five groups of characterization methods discussed in this review which are: electron beam/microscopy, X-ray, neutron diffraction and scattering, nuclear magnetic resonance, and optical techniques. The techniques can be further grouped by the categories of nanoscale structural understanding (transmission electron microscopy and pair distribution function), microscale structural understanding (focused ion beam and x-ray tomography), microscopic elemental distributions (energy dispersive spectroscopy and X-ray fluorescence), and chemical binding information (electron energy loss spectroscopy, x-ray absorption spectroscopy, nuclear magnetic resonance, Raman spectroscopy, and infrared spectroscopy), with advantages and disadvantages of each method discussed. The recommendation for further research is to begin with techniques that are easier to prepare samples for, measure, and analyze, such as the optical techniques of Raman and infrared spectroscopy. If more information is needed, pursue collaborations, other techniques, or proposals for beam time at the synchrotron sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Effective Polarizability in Near-Field Microscopy of Phonon-Polariton Resonances

We investigate the resonant characteristics of planar surfaces and distinct edges of structures with the excitation of phonon-polaritons. We analyze two materials supporting phonon-polariton excitations in the mid-infrared spectrum: silicon carbide, characterized by an almost isotropic dielectric constant, and hexagonal boron nitride, notable for its pronounced anisotropy in a spectral region exhibiting hyperbolic dispersion. We formulate a theoretical framework that accurately captures the excitations of the structure involving phonon-polaritons, predicts the response in scattering-type near-field optical microscopy, and is effective for complex resonant geometries where the locations of hot spots are uncertain. We account for the tapping motion of the probe, perform analysis for different heights of the probe, and demodulate the signal using a fast Fourier transform. Using this Fourier demodulation analysis, we show that light enhancement across the entire apex is the most accurate characteristic for describing the response of all resonant excitations and hot spots. We demonstrate that computing the demodulation orders of light enhancement in the microscope probe accurately predicts its imaging.

Chemistry↗
DOE OSTI2025

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↗
NASA NTRS2012

Contamination Control and Hardware Processing Solutions at Marshall Space Flight Center

The Contamination Control Team of Marshall Space Flight Center's Materials and Processes Laboratory supports many Programs/ Projects that design, manufacture, and test a wide range of hardware types that are sensitive to contamination and foreign object damage (FOD). Examples where contamination/FOD concerns arise include sensitive structural bondline failure, critical orifice blockage, seal leakage, and reactive fluid compatibility (liquid oxygen, hydrazine) as well as performance degradation of sensitive instruments or spacecraft surfaces such as optical elements and thermal control systems. During the design phase, determination of the sensitivity of a hardware system to different types or levels of contamination/FOD is essential. A contamination control and FOD control plan must then be developed and implemented through all phases of ground processing, and, sometimes, on-orbit use, recovery, and refurbishment. Implementation of proper controls prevents cost and schedule impacts due to hardware damage or rework and helps assure mission success. Current capabilities are being used to support recent and on-going activities for multiple Mission Directorates / Programs such as International Space Station (ISS), James Webb Space Telescope (JWST), Space Launch System (SLS) elements (tanks, engines, booster), etc. The team also advances Green Technology initiatives and addresses materials obsolescence issues for NASA and external customers, most notably in the area of solvent replacement (e.g. aqueous cleaners containing hexavalent chrome, ozone depleting chemicals (CFC s and HCFC's), suspect carcinogens). The team evaluates new surface cleanliness inspection and cleaning technologies (e.g. plasma cleaning), and maintains databases for processing support materials as well as outgassing and optical compatibility test results for spaceflight environments.

Burns, DeWitt H.↗
DOE OSTI2023

Electronic properties and optical spectra of donor–acceptor conjugated organic polymers

Organic semiconductors based on conjugated donor-acceptor (D–A) polymers are a unique platform for electronic, spintronic, and energy-harvesting devices. Understanding the electronic structure of D–A polymers with a small band gap is essential for developing next-generation technologies. Here, we investigate the electronic structure and optical spectra of cyclopentadithiophene-based closed/open-shell D–A polymers using density functional theory and the Bethe–Salpeter equation based on G 0 W 0 approximation. We explored the role of different acceptor units and chemical substitutions on the structural changes and, more importantly, electronic, optical, and dielectric behavior. We found that the computed first exciton peak of the polymers agreed well with the available experimentally measured optical gap. Furthermore, D–A polymers with open-shell character display higher dielectric constant than the closed-shell polymers. We show that the exceptional performance of polycyclopentadithiophene-thiophenylthiadiazoloquinoxaline (PCPDT-TTQ) as a scalable n-type material for Faradaic supercapacitors can be partly ascribed to its elevated dielectric constant. Consequently, these D–A polymers, characterized by their high dielectric constants, exhibit significant potential for various applications, including energy storage, organic electronics, and the production of dielectric films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Mapping the nonequilibrium order parameter of a quasi-two dimensional charge density wave system

The driving force of a charge density wave (CDW) transition in quasi-two dimensional systems is still debated, while being crucial in understanding electronic correlation in such materials. Here we use femtosecond time- and angle-resolved photoemission spectroscopy combined with computational methods to investigate the coherent lattice dynamics of a prototypical CDW system. The photo-induced temporal evolution of the periodic lattice distortion associated with the amplitude mode reveals the dynamics of the free energy functional governing the order parameter. Our approach establishes that optically-induced screening rather than CDW melting at the electronic level leads to a transiently modified potential which explains the anharmonic behaviour of the amplitude mode and discloses the structural origin of the symmetry-breaking phase transition.

electronic properties and materials↗
NASA NTRS1986

Optical fiber sensors for the non-destructive evaluation of materials

The operation of the modal domain vibration sensor was demonstrated in several simple vibrational systems. Two apparent advantages are the sensors bandwidth and sensitivity. An inherent drawback of standard vibration detection devices is their rapid cost increase with high frequency bandwidth. This sensor showed consistent response in the freqency range of 1.5 to 400 Hz. By imparting very small but measurable excitations in the structures, the sensors ability to respond to very low order vibration induced strain was established. Dynamic ranges on the order of 18 to 22 dB for the CF beam and string systems respectively were observed. The sensor itself represents a very simple system: a coherent source, a single fiber and a low bandwidth detector. The inherent advantages of ruggedness and immunity to external radiation can also be added. Finally, the sensor minimally impairs structural motion through loading, an advantage in monitoring small vibrations or lightweight structures. Some drawbacks of the sensor are also noted.

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