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At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Atomically Precise PdSe 2 Pentagonal Nanoribbons

We report atomically precise pentagonal PdSe 2 nanoribbons (PNRs) fabricated on a pristine PdSe 2 substrate with a hybrid method of top-down and bottom-up processes. The PNRs form a uniform array of dimer structure with a width of 2.4 nm and length of more than 200 nm. In situ four-probe scanning tunneling microscopy (STM) reveals metallic behavior of PNRs with ballistic transport for at least 20 nm in length. Density functional theory calculations produce a semiconducting density of states of isolated PNRs and find that the band gap narrows and disappears quickly once considering coupling between PNR stacking layers or interaction with the PdSe 2 substrate. The coupling of PNRs is further corroborated by Raman spectroscopy and field-effect transistor measurements. The facile method of fabricating atomically precise PNRs offers an air-stable functional material for dimensional control.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Time-domain terahertz emission spectroscopy on van der Waals materials

Time-domain terahertz (THz) emission spectroscopy provides a direct method to probe transient photo-currents by recording the emitted terahertz electric field. Although the basic principles of THz surface emission have been understood for more than 30 years, the constant progress in ultrafast laser science to ever shorter pulses, the development of new materials and enhanced sensitivity promote THz emission spectroscopy as a reliable method to gain insights into charge carrier dynamics with unprecedented precision. It provides a versatile tool to study ultrafast processes, such as plasmon-driven hot carriers, dynamics of Dirac fermions, interfacial charge transfer, coherent phonon emission and quantum beating, to name only a few. However, despite the rapidly growing body of research on van der Waals materials, especially in their low-dimensional limit, THz emission spectroscopy has only been applied to a limited extent in these material systems. In this prospective, we review time-domain THz emission spectroscopy as a complementary approach to probe ultrafast charge carrier dynamics and the material’s nonlinear response. After a description of the experimental method, we report on THz emission spectroscopy of bulk and 2D van der Waals materials with special focus on graphene and transition metal dichalcogenide layers.

2D materials↗

NASA NTRS2005

High-Sensitivity Optical Techniques for Atmospheric Spectroscopy, Kinetics and Remote Sensing

A principal objective of the work supported by this Grant has been to use IntraCavity Laser Absorption Spectroscopy (ICLAS) to acquire data on weakly absorbing species of atmospheric interest that are not accessible, or cannot be determined with sufficient precision, using conventional spectroscopic instrumentation. The principal focus has been to adapt the existing instrument to carry out Kinetic studies using IntraCavity Absorption Spectroscopy (KICAS) in order to measure rate parameters for weakly absorbing, environmentally significant species. Additional related work has been carried out in collaboration with Prof. M.J. Molina's program on air pollution in the Mexico City Metropolitan Area on modeling the role of these species in atmospheric chemistry.

Source record↗

DOE OSTI2026

Quasiparticle spectroscopy in tantalum films with different Ta/sapphire interfaces

One of the crucial aspects of current research in quantum information science is the identification and control of loss mechanisms in superconducting (SC) circuits. Although microwave measurements directly quantify device performance, additional techniques that probe quasiparticle excitations in SC films are needed to understand the microscopic mechanisms underlying dissipation and decoherence. Here, we present results from quasiparticle spectroscopy of Ta/sapphire films by measuring the Meissner-state magnetic susceptibility using a precision frequency-domain resonator specifically designed for thin films. We find direct evidence for additional low-energy excitations in samples with lower internal quality factors. These excitations are consistent with deep subgap states due to two-level systems, Yu–Shiba–Rusinov states near the gap edge, and perhaps other pair-breaking mechanisms. The developed non-destructive frequency-domain quasiparticle spectroscopy is a valuable addition to the quantum materials toolbox.

metal/substrate interlayer↗

DOE OSTI2026

Quasiparticle spectroscopy in tantalum films with different Ta/sapphire interfaces

One of the crucial aspects of current research in quantum information science is the identification and control of loss mechanisms in superconducting circuits. Although microwave measurements directly quantify device performance, additional techniques that probe quasiparticle excitations in superconducting films are needed to understand the microscopic mechanisms underlying dissipation and decoherence. Here, we present results from quasiparticle spectroscopy of Ta/sapphire films by measuring the Meissner-state magnetic susceptibility using a precision frequency-domain resonator specifically designed for thin films. We find direct evidence for additional low-energy excitations in samples with lower internal quality factors. These excitations are consistent with deep subgap states due to two-level systems, Yu-Shiba-Rusinov states near the gap edge, and perhaps other pair-breaking mechanisms. The developed non-destructive frequency-domain quasiparticle spectroscopy is a valuable addition to the quantum materials toolbox.

Moirangthem, Bicky Singh [Ames Lab; Iowa State U.]↗

DOE OSTI2026

Quasiparticle spectroscopy in tantalum films with different Ta/sapphire interfaces

Moirangthem, Bicky Singh [Ames Lab; Iowa State U.]↗

DOE OSTI2024

Enabling resonant ultrasound spectroscopy in high magnetic fields

Resonant ultrasound spectroscopy (RUS) is a powerful method to determine elastic constants with high accuracy and precision from a single measurement of the mechanical resonances of a sample. Conventionally, the quantitative extraction of elastic moduli with RUS assumes free boundary conditions which can often lead to the adoption of unstable sample positioning between ultrasonic transducers that is incompatible with extreme environments like high magnetic fields. We show that, under specific conditions, introducing a small amount of adhesive between a RUS sample and ultrasonic transducers introduces a perturbation to the free resonance condition which can be accounted for by a simple model. This means elastic constants can be determined to within the uncertainty of conventional RUS, but with significant improvements including sample stability and control of sample orientation. We demonstrate the efficacy of this approach with measurements on a range of materials including room temperature measurements on polycrystalline metals, temperature-dependent measurements of the structural phase transition in strontium titanate single crystals, and magnetic field-dependent measurements of magnetic phase transitions in gadolinium polycrystals up to 14 T.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Proton stopping measurements at low velocity in warm dense carbon

Abstract Ion stopping in warm dense matter is a process of fundamental importance for the understanding of the properties of dense plasmas, the realization and the interpretation of experiments involving ion-beam-heated warm dense matter samples, and for inertial confinement fusion research. The theoretical description of the ion stopping power in warm dense matter is difficult notably due to electron coupling and degeneracy, and measurements are still largely missing. In particular, the low-velocity stopping range, that features the largest modelling uncertainties, remains virtually unexplored. Here, we report proton energy-loss measurements in warm dense plasma at unprecedented low projectile velocities. Our energy-loss data, combined with a precise target characterization based on plasma-emission measurements using two independent spectroscopy diagnostics, demonstrate a significant deviation of the stopping power from classical models in this regime. In particular, we show that our results are in closest agreement with recent first-principles simulations based on time-dependent density functional theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

On-demand nanoengineering of in-plane ferroelectric topologies

Hierarchical assemblies of ferroelectric nanodomains, so-called super-domains, can exhibit exotic morphologies that lead to distinct behaviours. Controlling these super-domains reliably is critical for realizing states with desired functional properties. Here we reveal the super-switching mechanism by using a biased atomic force microscopy tip, that is, the switching of the in-plane super-domains, of a model ferroelectric Pb 0.6 Sr 0.4 TiO 3 . We demonstrate that the writing process is dominated by a super-domain nucleation and stabilization process. A complex scanning-probe trajectory enables on-demand formation of intricate centre-divergent, centre-convergent and flux-closure polar structures. Correlative piezoresponse force microscopy and optical spectroscopy confirm the topological nature and tunability of the emergent structures. The precise and versatile nanolithography in a ferroic material and the stability of the generated structures, also validated by phase-field modelling, suggests potential for reliable multi-state nanodevice architectures and, thereby, an alternative route for the creation of tunable topological structures for applications in neuromorphic circuits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Attosecond response of molecules to impulsive ionization

When matter interacts with energetic radiation it can undergo sudden, or impulsive, ionization. This process can drive chemical change and occurs widely in space and planetary atmospheres, yet its comprehensive description challenges our current theoretical and computational capabilities as it requires advanced treatment of electron correlation and nonadiabatic dynamics beyond the Born–Oppenheimer approximation. Here, in this study, we measure the response of the para-aminophenol molecule to sudden ionization. Using attosecond X-ray absorption spectroscopy, we resolve the ultrafast dynamics of the ionized molecule with atomic precision. A subfemtosecond decay corresponds to states undergoing non-radiative decay, whereas few-femtosecond oscillatory signatures are associated with electronic wavepacket motion in stable cation states that later couple to nuclear motion. We compare our measurement with state-of-the-art computational modelling, qualitatively reproducing the observed response across multiple timescales. These results provide a benchmark for computational models of sudden ionization and ultrafast charge motion in matter.

Driver, Taran [SLAC National Accelerator Laborator↗

DOE OSTI2020

Search for Nova Presolar Grains: $γ$-Ray Spectroscopy of 34 Ar and its Relevance for the Astrophysical 33 Cl($p,γ$) Reaction

The discovery of presolar grains in primitive meteorites has launched a new era of research in the study of stellar nucleosynthesis. However, the accurate classification of presolar grains as being of specific stellar origins is particularly challenging. Recently, it has been suggested that sulfur isotopic abundances may hold the key to definitively identifying presolar grains with being of nova origins and, in this regard, the astrophysical Cl 33 ( p , γ ) Ar 34 reaction is expected to play a decisive role. As such, we have performed a detailed γ -ray spectroscopy study of Ar 34 . Excitation energies have been measured with high precision and spin-parity assignments for resonant states, located above the proton threshold in Ar 34 , have been made for the first time. Uncertainties in the Cl 33 ( p , γ ) reaction have been dramatically reduced and the results indicate that a newly identified ℓ = 0 resonance at E r = 396.9 ( 13 ) keV dominates the entire rate for T = 0.25 – 0.40 GK . Furthermore, nova hydrodynamic simulations based on the present work indicate an ejected S 32 / S 33 abundance ratio distinctive from type-II supernovae and potentially compatible with recent measurements of a presolar grain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1988

Analysis of spectra using correlation functions

A novel method is presented for the quantitative analysis of spectra based on the properties of the cross correlation between a real spectrum and either a numerical synthesis or laboratory simulation. A new goodness-of-fit criterion called the heteromorphic coefficient H is proposed that has the property of being zero when a fit is achieved and varying smoothly through zero as the iteration proceeds, providing a powerful tool for automatic or near-automatic analysis. It is also shown that H can be rendered substantially noise-immune, permitting the analysis of very weak spectra well below the apparent noise level and, as a byproduct, providing Doppler shift and radial velocity information with excellent precision. The technique is in regular use in the Atmospheric Trace Molecule Spectroscopy (ATMOS) project and operates in an interactive, realtime computing environment with turn-around times of a few seconds or less.

Beer, Reinhard↗

NASA NTRS2002

Applications of Kalman filtering to real-time trace gas concentration measurements

A Kalman filtering technique is applied to the simultaneous detection of NH3 and CO2 with a diode-laser-based sensor operating at 1.53 micrometers. This technique is developed for improving the sensitivity and precision of trace gas concentration levels based on direct overtone laser absorption spectroscopy in the presence of various sensor noise sources. Filter performance is demonstrated to be adaptive to real-time noise and data statistics. Additionally, filter operation is successfully performed with dynamic ranges differing by three orders of magnitude. Details of Kalman filter theory applied to the acquired spectroscopic data are discussed. The effectiveness of this technique is evaluated by performing NH3 and CO2 concentration measurements and utilizing it to monitor varying ammonia and carbon dioxide levels in a bioreactor for water reprocessing, located at the NASA-Johnson Space Center. Results indicate a sensitivity enhancement of six times, in terms of improved minimum detectable absorption by the gas sensor.

Non-NASA Center↗

DOE OSTI2020

The unusual symmetry of hexafluoro-o-xylene—A microwave spectroscopy and computational study

The rotational constants and quartic centrifugal distortion coefficients of hexafluoro-o-xylene were precisely derived from the 8 GHz to 18 GHz gas phase microwave spectrum. In addition, the rotational constants of all singly substituted 13 C isotopologues were determined. Instead of the intuitively expected symmetry of C 2v , as in o-xylene, calculations with a variety of methods (B3LYP, CAM-B3LYP, ωB97XD, MP2, and coupled-cluster singles, doubles, and perturbative triples) predict a C 2 symmetry structure in which the two CF 3 groups rotate in opposite directions by about 16°. While the experimental results in this study are not capable of proving this unusual symmetry, they can support future microwave, gas phase electron diffraction or nuclear magnetic resonance studies. From the presented data, a preliminary r 0 structure was determined, reproducing the experimental rotational constants with deviations of no more than 15 kHz. Analysis of the interactions between the two CF 3 groups using an effective fragment potential approach identifies two major contributions to their interaction, due to exchange-repulsion and electrostatic repulsion, with electrostatic repulsion responsible for the barrier at the C 2v geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Nuclear Quadrupole Resonance for Substance Detection

This review paper provides a comprehensive overview of recent advances in nuclear quadrupole resonance (NQR) spectroscopy for substance detection, highlighting its principles, methodologies, and applications. The paper elucidates the fundamental physics underlying NQR spectroscopy, emphasizing the interaction between nuclear quadrupole moments and electric field gradients. It explores the various experimental techniques and instrumentation developments that have enabled the sensitive detection and precise characterization of substances containing quadrupolar nuclei. A significant portion of the survey is dedicated to discussing the diverse applications of NQR spectroscopy, including the detection of explosives, drug pharmaceuticals, and material authentication. Furthermore, the survey examines the challenges and limitations associated with NQR spectroscopy, including issues related to signal-to-noise ratio (SNR), temperature dependency, and substance restrictions. Strategies to overcome these challenges are discussed, offering insights into the future directions of NQR spectroscopy research that includes artificial intelligence (AI), internet of things (IoT) integration, incorporating a cloud database for NQR parameter storage, and multi-modal analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Unraveling Shuttle Effect and Suppression Strategy in Lithium/Sulfur Cells by In Situ/Operando X-ray Absorption Spectroscopic Characterization

The polysulfides shuttle effect represents a great challenge in achieving high capacity and long lifespan of lithium/sulfur (Li/S) cells. A comprehensive understanding of the shuttle-related sulfur speciation and diffusion process is vital for addressing this issue. Herein, we employed in situ/operando X-ray absorption spectroscopy (XAS) to trace the migration of polysulfides across the Li/S cells by precisely monitoring the sulfur chemical speciation at the cathodic electrolyte-separator and electrolyte-anode interfaces, respectively, in a real-time condition. After we adopted a shuttle-suppressing strategy by introducing an electrocatalytic layer of twinborn bismuth sulfide/bismuth oxide nanoclusters in a carbon matrix (BSOC), we found the Li/S cell showed greatly improved sulfur utilization and longer life span. The operando S K-edge XAS results revealed that the BSOC modification was bi-functional: trapping polysulfides and catalyzing conversion of sulfur species simultaneously. We elucidated that the polysulfide trapping-and-catalyzing effect of the BSOC electrocatalytic layer resulted in an effective lithium anode protection. Finally, our results could offer potential stratagem for designing more advanced Li/S cells.

25 ENERGY STORAGE↗

NASA NTRS1993

Science Instruments for the Advanced X-Ray Astrophysics Facility (AXAF)

The AXAF program has undergone major changes since the Announcement of Opportunity was extended by NASA Headquarters in 1983. The Science Instruments (SI's) for AXAF have also experienced several design changes since they were competitively selected in 1985. Moreover, two separate complementary missions are now being baselined for AXAF; one is designated AXAF-I for imaging and will include the high precision Wolter type I optics, and the other is called AXAF-S for spectroscopy. The resulting less-costly AXAF will still be superior to any previous x-ray observatories. Both missions continue to be managed. AXAF-I contains two focal plane SI's, the High Resolution Camera (HRC), and the AXAF Charge-Coupled Device (CCD) imaging spectrometer (ACIS), as well as the High-Energy Transmission Grating Spectrometer (HETGS) and the Low-Energy Transmission Grating Spectrometer (LETGS). Optics/Cryogenics Division (BECD). AXAF-S features only one focal plane SI, the X-Ray Spectrometer (XRS). The grazing incidence mirrors for this mission are mainly to provide a large collecting area and to concentrate these x-ray photons onto the XRS detector. Precise focusing, although preferred, is of secondary importance. Nested conical foil mirrors are currently baselined; however, replicated imaging optics are being evaluated for collecting efficiency and cost. AXAF-S is scheduled to be launched in late 1999. It has been designated as an MSFC in-house project. In addition to overall management, MSFC is fully responsible for the design, development, integration, and test of the complete AXAF-S observatory, including the XRS which will be furnished by the Goddard Space Flight Center (GSFC). Together, AXAF-I and AXAF-S constitute the third of NASA's series of Great Observatories, joining the Hubble space telescope (HST) and the Gamma-Ray Observatory (GRO) which are already operational. The develop- ment, launch, and operation of the Space InfraRed Telescope Facility (SIRTF) will follow later to complete the Great Observatory series. This paper summarizes the impact these changes have had on the SI's.

Carl E Winkler↗

DOE OSTI2021

Isotope-Resolved Electron Energy Loss Spectroscopy in a Monochromated Scanning Transmission Electron Microscope

The development and implementation of high-stability monochromators in state-of-the-art aberration-corrected scanning transmission electron microscopes has enabled materials characterization with an energy resolution as good as 3 meV. This allows the vibrational modes, which would otherwise be obscured by the energy spread of the electron beam, to be probed with very high precision in molecular materials. Since the vibrational energies depend on the weight of the atomic nuclei, vibrational spectroscopy can distinguish isotopes whose only difference lies in their neutron content. This opens up isotopic analysis and mapping in transmission electron microscopy as two important new research areas. In this paper, we review the monochromated electron energy loss spectroscopy (EELS) instrumentation, discuss optimal methods for probing beam-sensitive materials without destroying them, and review key nanoscale isotope-resolved results.

47 OTHER INSTRUMENTATION↗