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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties

A series of rare earth magnesium selenosilicates, RE3Mg 0.5 SiSe 7 (RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The RE3Mg 0.5 SiSe 7 series crystallizes in the hexagonal crystal system in the space group P6 3 . Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce 3 Mg 0.5 SiSe 7 and Gd 3 Mg 0.5 SiSe 7 exhibit paramagnetic behavior with negative Weiss constants (θ W = −14.50, θ W = −6.13 K, respectively). The optical properties of RE 3 Mg 0.5 SiSe 7 (RE = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. Furthermore, a second harmonic generation measurement was performed on a polycrystalline powder of Ce 3 Mg 0.5 SiSe 7 and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Progress of Multicolor Single Detector to Detector Array Development for Remote Sensing

Knowledge of the spatial and temporal distribution of atmospheric species such as CO2, O3, H2O, and CH4 is important for understanding the chemistry and physical cycles involving Earth s atmosphere. Although several remote sensing techniques are suitable for such measurements they are considered high cost techniques involving complicated instrumentation. Therefore, simultaneous measurement of atmospheric species using a single remote sensing instrument is significant for minimizing cost, size and complexity. While maintaining the instrument sensitivity and range, quality of multicolor detector, in terms of high quantum efficiency and low noise are vital for these missions. As the first step for developing multicolor focal plan array, the structure of a single element multicolor detector is presented in this paper. The detector consists of three p-n junction layers of Si, GaSb and InAs wafer bonded to cover the spectral range UV to 900 nm, 800 nm to 1.7 m, and 1.5 m to 3.4 m, respectively. Modeling of the absorption coefficient for each material was carried out for optimizing the layers thicknesses for maximum absorption. The resulted quantum efficiency of each layer has been determined except InAs layer. The optical and electrical characterization of each layer structure is reported including dark current and spectral response measurements of Si pin structure and of GaSb and InAs p-n junctions. The effect of the material processing is discussed.

Abedin, M. Nurul↗
NASA NTRS1999

Structure and Morphology of Phthalocyanine Films Grown in Electrical Fields by Vapor Deposition

Phthalocyanine is a very stable organic material in the atmosphere and has been used in numerous applications, such as optical switching and optical storage devices. Although this material has already been discovered for several decades and has had extensive studies conducted on it, many properties still need to be better understood, for example, the mechanisms of forming different solid phases and of changing film morphology by external forces. Phthalocyanine has two preferred solid phases (alpha and beta phases) for which the crystal structures, surface morphology and optical properties are different. In order to investigate these phenomena and the relationship among them, phthalocyanine films have been synthesized by vapor deposition on quartz substrates with and without an external electrical field. Some substrates were coated with a very thin gold film for the electrical field. These films have been characterized using x-ray diffraction, scanning electron microscopy, Fourier transfer infrared spectroscopy, and Z-scan technique. The films have excellent chemical and thermal stability. However, the surface of these films grown without the electrical field shows flower-like morphology. When films are deposited under an electrical field (approximately 3000 V/cm), an aligned structure is revealed on the surface. A comparison of the structure, morphology, optical properties, and the growth mechanism for these films with and without an electrical field will be discussed.

Zhu, Shen↗
DOE OSTI2024

Solution processed high aspect ratio ultra-long vertically well-aligned ZnO nano scintillators for potential X-ray imaging applications

We report the photon (PL), electron (CL) and X-ray (XEL) induced luminescence characteristics of high aspect ratio ultra-long (~ 50 µm) ZnO nanorods (NRs) and discuss the potential for fast X-ray detection based on the consistent and efficient visible emission (~ 580 nm) from ZnO NRs. Nanostructured ZnO scintillators were rearranged to form a vertically well-aligned NR design in order to help light absorption and coupling resulting in luminescent and fast scintillation properties. The design of the nanorod array combines the key advantages of a low-cost growth technique together with environmentally friendly and widely available materials. A low temperature hydrothermal method was adopted to grow ZnO NRs in one cycle growth and their structural, optical and X-ray scintillation properties were investigated. The relatively short (~ 10 µm) ZnO NRs emitting in the near-band-edge region were found to be almost insensitive to X-rays. On the other hand, the higher XEL response of long ZnO NRs, which is a key parameter for evaluation of materials to be used as scintillators for high quality X-ray detection and imaging, along with a decay time response in the order of ns confirmed promising scintillation properties for fast and high-resolution X-ray detector applications.

47 OTHER INSTRUMENTATION↗
NASA NTRS1991

All-optical photochromic spatial light modulators based on photoinduced electron transfer in rigid matrices

A single material (not a multi-element structure) spatial light modulator may be written to, as well as read out from, using light. The device has tailorable rise and hold times dependent on the composition and concentration of the molecular species used as the active components. The spatial resolution of this device is limited only by light diffraction as in volume holograms. The device may function as a two-dimensional mask (transmission or reflection) or as a three-dimensional volume holographic medium. This device, based on optically-induced electron transfer, is able to perform incoherent to coherent image conversion or wavelength conversion over a wide spectral range (ultraviolet, visible, or near-infrared regions).

Beratan, David N.↗
DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Unconventional nonlinear Hall effects in twisted multilayer 2D materials

We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these nonlinear effects are not merely extensions of their monolayer counterparts. Instead, we find that stacking order and pairwise interactions between neighboring layers, mediated by Berry curvatures, play a pivotal role in shaping their collective nonlinear optical response. By combining large-scale Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations with model Hamiltonian analyses, we demonstrate a remarkable second-harmonic transverse response in hexagonal boron nitride four-layers, even in cases where the total Berry curvature cancels out. Furthermore, our symmetry analysis of the layered structures provides a simplified framework for predicting nonlinear responses in multilayer materials in general. Our investigation challenges the prevailing understanding of nonlinear optical responses in layered materials and opens new avenues for the design and development of advanced materials with tailored optical properties.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Optical Experiments With Manganese Doped Yttrium Orthoaluminate, a Potential Material for Holographic Recording and Data Storage

The YAlO3 host crystal has a distorted perovskite structure that belongs to the orthorhombic centrosymmetric Pbnm space group. The cationic sites in the structure available for Mn substitution are the relatively large strongly distorted YO12 polyhedral (Y3+ ionic radius R(sub Y) = 1.02 A) and the smaller nearly ideal AlO6 octahedra R(sub Al) = 0.53 A). Manganese may enter YAlO3 in the form of Mn2+ ions (R(sub Mn)= 0.96 A), substituting most likely Y3+ ions, and Mn3+ ions (R(sub Mn) = 0.65 A) or Mn4+ ions (R(sub Mn) = 0.53 A) substituting Al3+ ions. The latter substitution is most probable because of dimensional parameters. Point defects, which are common in YAl03, may provide the charge compensation required for substitution.

Warren, Matthew E.↗
DOE OSTI2024

Ultrafast creation of a light-induced semimetallic state in strongly excited 1T-TiSe 2

Screening, a ubiquitous phenomenon associated with the shielding of electric fields by surrounding charges, has been widely adopted as a means to modify a material’s properties. While most studies have relied on static changes of screening through doping or gating thus far, here we demonstrate that screening can also drive the onset of distinct quantum states on the ultrafast timescale. By using time- and angle-resolved photoemission spectroscopy, we show that intense optical excitation can drive 1T-TiSe 2 , a prototypical charge density wave material, almost instantly from a gapped into a semimetallic state. By systematically comparing changes in band structure over time and excitation strength with theoretical calculations, we find that the appearance of this state is likely caused by a dramatic reduction of the screening length. In summary, this work showcases how optical excitation enables the screening-driven design of a nonequilibrium semimetallic phase in TiSe 2 , possibly providing a general pathway into highly screened phases in other strongly correlated materials.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Few-Mode Whispering-Gallery-Mode Resonators

Whispering-gallery-mode (WGM) optical resonators of a type now under development are designed to support few well-defined waveguide modes. In the simplest case, a resonator of this type would support one equatorial family of WGMs; in a more complex case, such a resonator would be made to support two, three, or some other specified finite number of modes. Such a resonator can be made of almost any transparent material commonly used in optics. The nature of the supported modes does not depend on which material is used, and the geometrical dispersion of this resonator is much smaller than that of a typical prior WGM resonator. Moreover, in principle, many such resonators could be fabricated as integral parts of a single chip. Basically, a resonator of this type consists of a rod, made of a suitable transparent material, from which protrudes a thin circumferential belt of the same material. The belt is integral with the rest of the rod (see figure) and acts as a circumferential waveguide. If the depth (d) and width (w) of the belt are made appropriately small, then the belt acts as though it were the core of a single-mode optical fiber: the belt and its adjacent supporting rod material support a single, circumferentially propagating mode or family of modes. It has been shown theoretically that the fiber-optic-like behavior of the belton- rod resonator structure can be summarized, in part, by the difference, Dn, between (1) an effective index of refraction of an imaginary fiber core and (2) the index of refraction (n) of the transparent rod/belt material. It has also been shown theoretically that for a given required value of Dn, the required depth of the belt can be estimated as d R Dn, where R is the radius of the rod. It must be emphasized that this estimated depth is independent of n and, hence, is independent of the choice of rod material. As in the cases of prior WGM resonators, input/output optical coupling involves utilization of evanescent fields. In the present case, there are two evanescent fields: one at the belt/air interface and one in the boundary region between the belt and the rest of the rod.

Savchenkov, Anatoliy↗
NASA NTRS1976

Dimensional stability of fused silica, Invar, and several ultralow thermal expansion materials

A method is developed for testing the long-term dimensional stability of an iodine-stabilized He-Ne laser, using a technique whereby thermal expansion coefficients are measured by forming a Fabry-Perot etalon from the sample and monitoring the optical resonant frequencies with tunable sidebands impressed on a laser beam from a frequency-stabilized He-Ne laser. A change of 1 ppm over a 3-yr period on the part of fused silica dimensions and the differential thermal expansion of Invar LR-35 and Super Invar materials are noted. The method is of interest for the metrology of extremely stable structures such as telescopes and optical resonators.

Berthold, J. W., III↗
DOE OSTI2024

Strain‐Driven Stabilization of a Room‐Temperature Chiral Multiferroic with Coupled Ferroaxial and Ferroelectric Order

Noncollinear ferroic materials are sought after as testbeds to explore the intimate connections between topology and symmetry, which result in electronic, optical, and magnetic functionalities not observed in collinear ferroic materials. For example, ferroaxial materials have rotational structural distortions that break mirror symmetry and induce chirality. When ferroaxial order is coupled with ferroelectricity arising from a broken inversion symmetry, it offers the prospect of electric-field-control of the ferroaxial distortions and opens up new tunable functionalities. However, chiral multiferroics, especially ones stable at room temperature, are rare. A strain-stabilized, room-temperature chiral multiferroic phase in single crystals of BaTiS 3 is reported here. Using first-principles calculations, the stabilization of this multiferroic phase having P6 3 space group for biaxial tensile strains exceeding 1.5% applied on the basal ab-plane of the room temperature P6 3 cm phase of BaTiS 3 is predicted. The chiral multiferroic phase is characterized by rotational distortions of TiS 6 octahedra around the long c-axis and polar displacement of Ti atoms along the c-axis. Furthermore, the ferroaxial and ferroelectric distortions and their domains in P6 3 -BaTiS 3 are directly resolved using atomic resolution scanning transmission electron microscopy. Landau-based phenomenological modeling predicts a strong coupling between the ferroelectric and the ferroaxial order making P6 3 -BaTiS 3 an attractive test bed for achieving electric-field-control of chirality.

Chalcogenide↗
DOE OSTI2026

Quantum Theory of Surface Lattice Resonances

The collective interactions of nanoparticles arranged in periodic structures give rise to high‐ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum optical theory capable of describing the dynamics of these structures, especially in the presence of material nonlinearities beyond ad hoc few‐mode approximations, is largely missing. To this end, we consider a lattice of metallic nanoparticles coupled to the electromagnetic field and derive the quantum input–output relations within the electric dipole approximation. As applications, we analyze coupling between the nanoparticle array and external quantum emitters, and show how the formalism extends to molecular optomechanics, where the high ‐factors of SLRs enable coupling to collective vibrational modes. We further consider arrays composed of saturable excitonic emitters, demonstrating how emitter nonlinearities can be used to switch the SLR condition between electronic transitions. Using a perturbative approach that accounts for population dynamics, we show how these effects can be probed in pump–probe experiments and give rise to nonlinear phase‐matching phenomena. Our work provides a microscopic framework for modeling SLRs interacting with quantum emitters without phenomenological descriptions of the electromagnetic environment.

molecular optomechanics↗
DOE OSTI2024

Origin of light-induced metastability in ZrTe 5

Here we study the nonequilibrium electronic structure of a model Dirac semimetal ZrTe 5 by using time-and-angle resolved photoemission spectroscopy and density functional theory–based electron and phonon calculations. By measuring the electronic dispersion near the Γ point at time delays up to 10 picoseconds, we discovered that the band spectral weight does not recover during the measured temporal window, revealing the existence of a light-induced metastable state in the electronic structure of this material. Our calculations find that the photoexcited A 1⁢g phonon mode leads to a band renormalization that both supports our experimental observations at the zone center and predicts changes to the band structure outside of our experimental window, ultimately showing the evolution from a direct to an indirect gap semimetal; such band renormalization dramatically reduces the electron-hole recombination rate giving rise to the metastability in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

From Design to Device: Challenges and Opportunities in Computational Discovery of p -Type Transparent Conductors

A high-performance p -type transparent conductor (TC) does not yet exist but could lead to advances in a wide range of optoelectronic applications and enable new architectures for, e.g., next-generation photovoltaic (PV) devices. High-throughput computational material screenings have been a promising approach to filter databases and identify new p -type TC candidates and some of these predictions have been experimentally validated. However, most of these predicted candidates do not have experimentally achieved properties on par with n -type TCs used in solar cells and therefore have not yet been used in commercial devices. Thus, there is still a significant divide between transforming predictions into results that are actually achievable in the laboratory and an even greater lag in scaling predicted materials into functional devices. In this perspective, we outline some of the major disconnects in this materials discovery process—from scaling computational predictions into synthesizable crystals and thin films in the laboratory to scaling laboratory-grown films into real-world solar devices—and share insights to inform future strategies for TC discovery and design. Published by the American Physical Society 2024

14 SOLAR ENERGY↗
NASA NTRS1984

Evidence for an infrared disk in the core of the extraordinary planetary nebula Abell 30

High spatial resolution infrared maps of the core of the evolved planetary nebula Abell 30, which has been shown to be composed of heavily processed material, are presented. These maps reveal an elongated, disklike structure that is not evident on optical pictures. Multicolor photometry at several positions in this disk shows that this emission is due to dust, some of which is near the evaporation temperature of graphite. Lyman-alpha trapping is shown to be inadequate as a heating source for these grains, but direct absorption of stellar photons is sufficient. In view of the unusual chemical composition, A30 represents a late stage in the evolution of a planetary nebula progenitor. The observed infrared structure may provide clues to the ejection mechanism at this stage of development.

Lester, D. F.↗
NASA NTRS1992

Adaptive Structures Flight Experiments

The topics are presented in viewgraph form and include the following: adaptive structures flight experiments; enhanced resolution using active vibration suppression; Advanced Controls Technology Experiment (ACTEX); ACTEX program status; ACTEX-2; ACTEX-2 program status; modular control patch; STRV-1b Cryocooler Vibration Suppression Experiment; STRV-1b program status; Precision Optical Bench Experiment (PROBE); Clementine Spacecraft Configuration; TECHSAT all-composite spacecraft; Inexpensive Structures and Materials Flight Experiment (INFLEX); and INFLEX program status.

Martin, Maurice↗
NASA NTRS2010

Characterization of Orbital Debris Photometric Properties Derived from Laboratory-Based Measurements

Capitalizing on optical data products and applying them to generate a more complete understanding of orbital space objects, is a key objective of NASA's Optical Measurement Program, and a primary objective for the creation of the Optical Measurements Center(OMC). The OMC attempts to emulate space-based illumination conditions using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. The data acquired in the OMC are a function of known shape, size, and material. These three physical parameters are key to understanding the orbital debris environment in more depth. For optical observations, one must rely on spectroscopic or photometric measurements to ascertain an object's material type. Determination of an object s shape using remote observations is more complicated due to the various light scattering properties each object present and is a subject that requires more study. It is much easier to look at the periodicity of the light curve and analyze its structure for rotation. In order to best simulate the orbital debris population, three main sources were used as test fragments for optical measurements: flight-ready materials, destructive hypervelocity testing (simulating on-orbit collisions) and destructive pressure testing (simulating on-orbit explosions). Laboratory optical characteristics of fragments were measured, including light curve shape, phase angle dependence, and photometric and spectroscopic color indices. These characteristics were then compared with similar optical measurements acquired from telescopic observations in order to correlate remote and laboratory properties with the intent of ascertaining the intrinsic properties of the observed orbital debris

Cowardin, Heather↗