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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Measurement of the spectral signature of small carbon clusters at near and far infrared wavelengths

A significant percentage of the carbon inventory of the circumstellar and interstellar media may be in the form of large refractory molecules (or small grains) referred to as carbon clusters. At the small end, uneven numbers of carbon atoms seem to be preferred, whereas above 12 atoms, clusters containing an even number of carbon atoms appear to be preferred in laboratory chemistry. In the lab, the cluster C-60 appears to be a particularly stable form and has been nicknamed Bucky Balls because of its resemblance to a soccer ball and to geodesic domes designed by Buckminster Fuller. In order to investigate the prevalence of these clusters, and their relationship to the polycyclic aromatic hydrocarbons (PAHs) that have become the newest focus of IR astronomy, it is necessary to determine the spectroscopic characteristics of these clusters at near and far infrared wavelengths. Described here is the construction of a near to far IR laser magnetic resonance spectrometer that has been built at the University of California Berkeley in order to detect and characterize these spectra. The equipment produces carbon clusters by laser evaporation of a graphitic target. The clusters are then cooled in a supersonic expansion beam in order to simulate conditions in the interstellar medium (ISM). The expansion beam feeds into the spectrometer chamber and permits concentrations of clusters sufficiently high as to permit ultra-high resolution spectroscopy at near and far IR wavelengths. The first successful demonstration of this apparatus occurred last year when the laboratory studies permitted the observational detection of C-5 in the stellar outflow surrounding IRC+10216 in the near-IR. Current efforts focus on reducing the temperature of the supersonic expansion beam that transport the C clusters evaporated from a graphite target into the spectrometer down to temperatures as low as 1 K.

Tarter, J.↗
DOE OSTI2026

Highly Responsive Near-Infrared Photodetector Based on Contactless PdSe 2 Integration with a Few-Layered MoSe 2 Field-Effect Transistor

Two-dimensional (2D) semiconductors with narrow bandgaps are promising candidates for near- and far-infrared (IR) photodetection, particularly in the telecommunication spectral window. However, current low-bandgap IR photodetectors face significant challenges due to their high dark current, increased carrier recombination, and thermally generated noise. Here, in this work, a hybrid phototransistor is demonstrated by integrating direct, contact-free palladium diselenide (PdSe 2 ) as a highly responsive IR detection layer with a non-IR-absorbing molybdenum diselenide (MoSe 2 ) field-effect transistor (FET), using a near-IR source at a wavelength of λ = 1650 nm. Exfoliated PdSe 2 flakes integrated into a back-gated FET architecture exhibit ambipolar transport behavior, with extracted hole and electron mobilities of 24.8 cm 2 V –1 s –1 and 58.4 cm 2 V –1 s –1 , respectively. The devices show a clear photocurrent generation under the illumination of a λ = 1650 nm laser source, achieving a notable responsivity of ∼300 mA W -1 at an applied gate voltage of 15 V, which highlights the suitability of PdSe 2 as a narrow-bandgap material for photodetection. Photoresponsivity saturates and does not have any effect above an applied gate voltage of 15 V. To further tune the photoresponsivity performance continuously with the applied gate voltage, we construct a van der Waals heterostructure phototransistor, where few layers of PdSe 2 are directly transferred onto the 2D channel region of a MoSe 2 FET, while avoiding any contact with the metal electrodes. In this heterostructure, PdSe 2 works as the primary active IR-absorbing layer, while MoSe 2 provides high-performance FET characteristics. This spatial separation of absorption and transport facilitates efficient interlayer charge transfer and charge separation, resulting in high responsivities of up to 972 mA W –1 at near-IR wavelengths and a low power density of 1.5 mW/mm 2 . The responsivity of our photodetector is comparable to that of some state-of-the-art commercially available NIR photodetectors, highlighting the potential of PdSe 2 -based heterostructures as scalable, CMOS-compatible platforms for high-performance near-IR detection.

Infrared (IR) photodetectors↗
NASA NTRS1990

SAGE 3: A visible wavelength limb sounder

A brief description is presented for the SAGE 3 (Stratospheric Aerosol and Gas Experiment 3) instrument that has been selected to fly onboard the National Polar Platform 1 (NPOP 1) for the Earth Observational System (Eos) in 1996. The SAGE 3 instrument will perform earth limb sounding with the solar occultation technique measuring the ultraviolet (UV), the visible, and the near infrared (IR) wavelength solar radiation. The instrument will produce atmospheric data for the vertical distribution of aerosol, ozone, nitrogen dioxide, water vapor, and oxygen. The details of the instrument design, data flow, and processing requirements are discussed.

Chu, W. P.↗
DOE OSTI2020

The 1.66 μm spectrum of the ethynyl radical, CCH

Frequency-modulated diode laser transient absorption spectra of the ethynyl radical have been recorded at wavelengths close to 1.66 μm. The observed spectrum includes strong, regular, line patterns. The two main bands observed originate in the ground $\tilde{χ}$ 2 Σ + state and its first excited bending vibrational level of 2 $Π$ symmetry. The upper states, of 2 Σ + symmetry at 6055.6 cm -1 and 2 $Π$ symmetry at 6413.5 cm -1 , respectively, had not previously been observed and the data were analyzed in terms of an effective Hamiltonian representing their rotational and fine structure levels to derive parameters which can be used to calculate rotational levels up to J = 37/2 for the 2 $Π$ level and J = 29/2 for the 2 Σ one. Additionally, a weaker series of lines have been assigned to absorption from the second excited bending, (0 2 0), level of 2 Σ symmetry, to a previously observed state of 2 $Π$ symmetry near 6819 cm -1 . These strong absorption bands at convenient near-IR laser wavelengths will be useful for monitoring CCH radicals in chemical systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRSDate not supplied

MISR Level 1B1 Radiance Data (MI1B1_V1)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Horizontal_Resolution_Range=250 meters - < 500 meters; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=Daily - < Weekly, about 15 orbits/day, Daily - < Weekly].

EOSDIS↗
NASA NTRSDate not supplied

MISR Level 1B1 Local Mode Radiance Data (MIB1LM_V2)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. In addition to the Level 1B1 radiometric product for MISR's Global Mode imagery, there is a separate Level 1B1 product for each high-resolution Local Mode scene. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Temporal_Resolution=about 15 orbits/day].

AM-1↗
NASA NTRSDate not supplied

MISR Level 1B1 Local Mode Radiance Data (MIB1LM_V1)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. In addition to the Level 1B1 radiometric product for MISR's Global Mode imagery, there is a separate Level 1B1 product for each high-resolution Local Mode scene. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Horizontal_Resolution_Range=250 km - < 500 km or approximately 2.5 degrees - < 5.0 degrees; Temporal_Resolution=about 15 orbits/day].

NEAR IR IMAGERY↗
NASA NTRS1988

Effects of cirrus composition on atmospheric radiation budgets

A radiative transfer model that can be used to determine the change in solar and infrared fluxes caused by variations in the composition of cirrus clouds was used to investigate the importance of particle size and shape on the radiation budget of the Earth-atmosphere system. Even though the cloud optical thickness dominates the radiative properties of ice clouds, the particle size and nonsphericity of ice crystals are also important in calculations of the transfer of near-IR solar wavelengths. Results show that, for a given optical thickness, ice clouds composed of larger particles would produce larger greenhouse effects than those composed of smaller particles. Moreover, spherical particles with equivalent surface areas, frequently used for ice crystal clouds, would lead to an overestimation of the greenhouse effect.

Kinne, Stefan↗
NASA NTRS1989

Real time processor for array speckle interferometry

The authors are constructing a real-time processor to acquire image frames, perform array flat-fielding, execute a 64 x 64 element two-dimensional complex FFT (fast Fourier transform) and average the power spectrum, all within the 25 ms coherence time for speckles at near-IR (infrared) wavelength. The processor will be a compact unit controlled by a PC with real-time display and data storage capability. This will provide the ability to optimize observations and obtain results on the telescope rather than waiting several weeks before the data can be analyzed and viewed with offline methods. The image acquisition and processing, design criteria, and processor architecture are described.

Chin, Gordon↗
NASA NTRSDate not supplied

MISR Level 1B2 Ellipsoid Data (MI1B2E_V1)

The MISR instrument consists of nine pushbroom cameras which measure radiance in four spectral bands. Global coverage is achieved in nine days. The cameras are arranged with one camera pointing toward the nadir, four cameras pointing forward and four cameras pointing aftward. It takes 7 minutes for all nine cameras to view the same surface location. The view angles relative to the surface reference ellipsoid, are 0, 26.1, 45.6, 60.0, and 70.5 degrees. The spectral band shapes are nominally gaussian, centered at 443, 555, 670, and 865 nm. The Ellipsoid product is referenced to the World Geodetic System 1984 (WGS84) ellipsoid, which approximates the Earth's shape at sea level. In this product, the radiances and associated altitudes are projected to the ellipsoid, so that higher elevation data appear displaced from their true location for non-nadir camera views, much as they are seen by the instrument. (A cloud at location F, or a mountain top at location T in the image below appears as if it is at location E.) The more oblique the camera view, or the higher in altitude the feature, the more displaced the elevated data will appear. This displacement is used to advantage in MISR stereo retrievals, and this product is the primary input to Level 2 top-of-atmosphere/cloud processing. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=563.2 km (cross-track); Longitude_Resolution=140.8 km (along-track); Horizontal_Resolution_Range=250 meters - < 500 meters; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=about 15 orbits/day].

EOSDIS↗
NASA NTRSDate not supplied

MISR Level 1B2 Terrain Data (MI1B2T_V2)

The MISR instrument consists of nine pushbroom cameras which measure radiance in four spectral bands. Global coverage is achieved in nine days. The cameras are arranged with one camera pointing toward the nadir, four cameras pointing forward and four cameras pointing aftward. It takes 7 minutes for all nine cameras to view the same surface location. The view angles relative to the surface reference ellipsoid, are 0, 26.1, 45.6, 60.0, and 70.5 degrees. The spectral band shapes are nominally gaussian, centered at 443, 555, 670, and 865 nm. The Terrain data are re-projected to the terrain altitude. In this product, surface data from all cameras will appear in the same geographic location. Thus, this product is the primary input to Level 2 aerosol/surface processing, which requires co-registration of the L1B2 imagery at the surface. Clouds will still be displaced due to their elevation above the surface, but this time with respect to the terrain rather than the ellipsoid. (The mountain location T is now assigned the geographic location at T, and the Cloud at F appears at the geographic location T.) In Level 2 aerosol/surface processing, algorithms are applied to screen out the clouds. Terrain data only exist for MISR blocks containing some land. [Location=GLOBAL LAND] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=563.2 km (cross-track); Longitude_Resolution=140.8 km (along-track).; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=about 15 orbits/day].

SPECTRAL BANDS↗
NASA NTRSDate not supplied

MISR Level 1B2 Ellipsoid Data (MI1B2E_V3)

The MISR instrument consists of nine pushbroom cameras which measure radiance in four spectral bands. Global coverage is achieved in nine days. The cameras are arranged with one camera pointing toward the nadir, four cameras pointing forward and four cameras pointing aftward. It takes 7 minutes for all nine cameras to view the same surface location. The view angles relative to the surface reference ellipsoid, are 0, 26.1, 45.6, 60.0, and 70.5 degrees. The spectral band shapes are nominally gaussian, centered at 443, 555, 670, and 865 nm. The Ellipsoid product is referenced to the World Geodetic System 1984 (WGS84) ellipsoid, which approximates the Earth's shape at sea level. In this product, the radiances and associated altitudes are projected to the ellipsoid, so that higher elevation data appear displaced from their true location for non-nadir camera views, much as they are seen by the instrument. (A cloud at location F, or a mountain top at location T in the image below appears as if it is at location E.) The more oblique the camera view, or the higher in altitude the feature, the more displaced the elevated data will appear. This displacement is used to advantage in MISR stereo retrievals, and this product is the primary input to Level 2 top-of-atmosphere/cloud processing. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=563.2 km (cross-track); Longitude_Resolution=140.8 km (along-track); Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=about 15 orbits/day].

TOA↗
NASA NTRS2012

The Effects of an Absorbing Smoke Layer on MODIS Marine Boundary Layer Cloud Optical Property Retrievals and Radiative Forcing

Clouds, aerosols, and their interactions are widely considered to be key uncertainty components in our current understanding of the Earth's atmosphere and radiation budget. The work presented here is focused on the quasi-permanent marine boundary layer . (MBL) clouds off the southern Atlantic coast of Africa and the effects on MODIS cloud optical property retrievals (MOD06) of an overlying absorbing smoke layer. During much of August and September, a persistent smoke layer resides over this region, produced from extensive biomass burning throughout the southern African savanna. The resulting absorption, which increases with decreasing wavelength, potentially introduces biases into the MODIS cloud optical property retrievals of the underlying MBL clouds. This effect is more pronounced in the cloud optical thickness retrievals, which over ocean are derived from the wavelength channel centered near 0.86 micron (effective particle size retrievals are derived from the longer-wavelength near-IR channels at 1.6, 2.1, and 3.7 microns). Here, the spatial distributions of the scalar statistics of both the cloud and aerosol layers are first determined from the CALIOP 5 km layer products. Next, the MOD06 look-up tables (LUTs) are adjusted by inserting an absorbing smoke layer of varying optical thickness over the cloud. Retrievals are subsequently performed for a subset of MODIS pixels collocated with the CALIOP ground track, using smoke optical thickness from the CALIOP 5km aerosol layer product to select the appropriate LUT. The resulting differences in cloud optical property retrievals due to the inclusion of the smoke layer in the LUTs will be examined. In addition, the direct radiative forcing of this smoke layer will be investigated from the perspective of the cloud optical property retrieval differences.

Meyer, Kerry↗
NASA NTRS2018

HabEx Space Telescope Optical System Overview: General Astrophysics Instruments

The HabEx (Habitable Exoplanet) concept study is defining a future space telescope with the primary mission of detecting and characterizing planetary systems around nearby stars. The telescope baseline design includes a high-contrast coronagraph and a starshade to enable the direct optical detection of exoplanets as close as 70 mas to their star. In addition to the study of exoplanets, HabEx carries two dedicated instruments for general astrophysics. The first instrument is a camera enabling imaging on a 3 arc minute field of view in two bands stretching from the UV at 150 nm to the near infrared at 1800 nm. The same instrument can also be operated as a multi-object spectrograph, with resolution of 2000. The second instrument is a high-resolution UV spectrograph operating from 300 nm down to 115 nm with up to 60,0000 resolution. HabEx would provide the highest resolution UV/optical images ever obtained. Diffraction limited at 0.4 µm, it would outperform all current and approved facilities, including the 30 m class ground-based extremely large telescopes (ELTs), which will achieve ~0.01 arcsecond resolution at near-infrared (IR) wavelengths with adaptive optics, but will be seeing-limited at optical wavelengths. HabEx would observe wavelengths inaccessible from the ground, including the UV and in optical/near-IR atmospheric absorption bands. Operating at L2, far above the Earth’s atmosphere and free from the large thermal swings inherent to HST’s low-Earth orbit, HabEx would provide an ultra-stable platform that will enable science ranging from precision astrometry to the most sensitive weak lensing maps ever obtained. Here we discuss the design concepts of the general astrophysics optical instruments for the proposed observatory.

Nissen, Joel↗
NASA NTRS2012

Graphene Transparent Conductive Electrodes for Next- Generation Microshutter Arrays

Graphene is a single atomic layer of graphite. It is optically transparent and has high electron mobility, and thus has great potential to make transparent conductive electrodes. This invention contributes towards the development of graphene transparent conductive electrodes for next-generation microshutter arrays. The original design for the electrodes of the next generation of microshutters uses indium-tin-oxide (ITO) as the electrode material. ITO is widely used in NASA flight missions. The optical transparency of ITO is limited, and the material is brittle. Also, ITO has been getting more expensive in recent years. The objective of the invention is to develop a graphene transparent conductive electrode that will replace ITO. An exfoliation procedure was developed to make graphene out of graphite crystals. In addition, large areas of single-layer graphene were produced using low-pressure chemical vapor deposition (LPCVD) with high optical transparency. A special graphene transport procedure was developed for transferring graphene from copper substrates to arbitrary substrates. The concept is to grow large-size graphene sheets using the LPCVD system through chemical reaction, transfer the graphene film to a substrate, dope graphene to reduce the sheet resistance, and pattern the film to the dimension of the electrodes in the microshutter array. Graphene transparent conductive electrodes are expected to have a transparency of 97.7%. This covers the electromagnetic spectrum from UV to IR. In comparison, ITO electrodes currently used in microshutter arrays have 85% transparency in mid-IR, and suffer from dramatic transparency drop at a wavelength of near-IR or shorter. Thus, graphene also has potential application as transparent conductive electrodes for Schottky photodiodes in the UV region.

Li, Mary↗
NASA NTRS2004

Near-IR demonstration of adaptive nuller based of deformable mirror.

We have demonstrated amplitude and phase control at a single wavelength in the near-IR. We are preparing to demonstrate control with our deformable mirror actuator in the near-IR, and in parallel are preparing a demonstration in the mid-IR where the compensator will be required to operate.

Hirai, Akiko↗
DOE OSTI2022

Observation of breakdown wave mechanism in avalanche ionization produced atmospheric plasma generated by a picosecond CO 2 laser

Understanding the formation and long-timescale evolution of atmospheric plasmas produced by ultrashort, long-wavelength infrared (LWIR) pulses is an important but partially understood problem. Of particular interest are plasmas produced in air with a peak laser intensity ~10 12 W/cm 2 , the so-called clamping intensity observed in LWIR atmospheric guiding experiments where tunneling and multi-photon ionization operative at near-IR or shorter wavelengths are inoperative. We find that avalanche breakdown on the surface of aerosol (dust) particles can act to seed the breakdown of air observed above the 200 GW/cm 2 threshold when a train of 3 ps 10.6 μm laser pulses separated by 18 ps is used. The breakdown first appears at the best focus but propagates backward toward the focusing optic as the plasma density approaches critical density and makes forward propagation impossible. The velocity of the backward propagating breakdown can be as high as 10 9 cm/s, an order of magnitude greater than measured with ns pulse-produced breakdown, and can be explained rather well by the so-called breakdown wave mechanism. Transverse plasma expansion with a similar velocity is assisted by UV photoionization and is observed as a secondary longitudinal breakdown mechanism in roughly 10% of the shots. When a cm-size, TW power beam is propagated, interception of aerosol particles is guaranteed and several (40 cm -3 ) breakdown sites appear, each initially producing a near-critical density plasma. On a 10 ns–1 μs timescale, shockwaves from each site expand radially and coalesce to produce a large hot gas channel. The radial velocity of the expansion agrees well with the prediction of the blast wave theory developed for ultrafast atmospheric detonations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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↗