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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Scanning Electron Microscopy (SEM) Procedure for HE Powders on a Zeiss Sigma HD VP SEM

This method describes the characterization of inert and HE materials by the Zeiss Sigma HD VP field emission Scanning Electron Microscope (SEM). The SEM uses an accelerated electron beam to generate high-magnification images of explosives and other materials. It is fitted with five detectors (SE, Inlens, STEM, VPSE, HDBSD) to enable imaging of the sample via different secondary electron signatures, angles, and energies. In addition to imaging through electron detection, the microscope is also fitted with two Oxford Instrument Energy Dispersive Spectrometer (EDS) 80 mm detectors to generate elemental constituent spectra and two-dimensional maps of the material being scanned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Energy spectrum and transport in narrow HgTe quantum wells

The results of an experimental study of the transport phenomena and the hole energy spectrum of two-dimensional systems in the quantum well of HgTe zero-gap semiconductor with normal arrangement of quantum-confinement subbands are presented. An analysis of the experimental data allows us to reconstruct the carrier energy spectrum near the hole subband extrema. The results are interpreted using the standard kP model.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Boundary identification for 2-D parabolic problems arising in thermal testing of materials

Problems on the identification of two-dimensional spatial domains arising in the detection and characterization of structural flaws in materials are considered. For a thermal diffusion system with external boundary input, observations of the temperature on the surface are used in an output least square approach. Parameter estimation techniques based on the method of mappings are discussed, and approximation schemes are developed based on a finite-element Galerkin approach. Theoretical convergence results for computational techniques are given, and the results are applied to the identification of two kinds of boundary shapes.

Banks, H. T.↗
DOE OSTI2014

Active Control of Nitride Plasmonic Dispersion in the Far Infrared.

We investigate plasmonic structures in nitride-based materials for far-infrared (IR) applications. The two dimensional electron gas (2DEG) in the GaN/AlGaN material system, much like metal- dielectric structures, is a patternable plasmonic medium. However, it also permits for direct tunability via an applied voltage. While there have been proof-of-principle demonstrations of plasma excitations in nitride 2DEGs, exploration of the potential of this material system has thus far been limited. We recently demonstrated coherent phenomena such as the formation of plasmonic crystals, strong coupling of tunable crystal defects to a plasmonic crystal, and electromagnetically induced transparency in GaAs/AlGaAs 2DEGs at sub-THz frequencies. In this project, we explore whether these effects can be realized in nitride 2DEG materials above 1 THz and at temperatures exceeding 77 K.

Shaner, Eric A.↗
DOE OSTI2024

Exciton polaron formation and hot-carrier relaxation in rigid Dion–Jacobson-type two-dimensional perovskites

The efficiency of two-dimensional Dion–Jacobson-type materials relies on the complex interplay between electronic and lattice dynamics; however, questions remain about the functional role of exciton–phonon interactions. Here we establish the robust polaronic nature of the excitons in these materials at room temperature by combining ultrafast spectroscopy and electronic structure calculations. We show that polaronic distortion is associated with low-frequency (30–60 cm –1 ) lead iodide octahedral lattice motions. More importantly, we discover how targeted ligand modification of this two-dimensional perovskite structure manipulates exciton–phonon coupling, exciton polaron population and carrier cooling. At high excitation density, stronger exciton–phonon coupling increases the hot-carrier lifetime, forming a hot-phonon bottleneck. Furthermore, our study provides detailed insight into the exciton–phonon coupling and its role in carrier cooling in two-dimensional perovskites relevant for developing emerging hybrid semiconductor materials with tailored properties.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Demonstration of two-dimensional time-encoded imaging of fast neutrons

Here, we present a neutron detector system based on time-encoded imaging, and demonstrate its applicability toward the spatial mapping of special nuclear material. We also demonstrate that two-dimensional fast-neutron imaging with 2° resolution at 2 m stand-off is feasible with only two instrumented detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1992

Permeability of rayon based polymer composites

Several types of anomalous rayon based phenolic behavior have been observed in post-fired nozzles and exit cones. Many of these events have been shown to be related to the development of internal gas pressure within the material. The development of internal gas pressure is a function of the amount of gas produced within the material and the rate at which that gas is allowed to escape. The latter property of the material is referred to as the material's permeability. The permeability of two dimensional carbonized rayon based phenolic composites is a function of material direction, temperature, and stress/strain state. Recently significant differences in the permeability of these materials has been uncovered which may explain their inconsistent performance. This paper summarizes what is known about the permeability of these materials to date and gives possible implications of these finding to the performance of these materials in an ablative environment.

Stokes, E. H.↗
DOE OSTI2015

Filament capturing with the Multimaterial Moment-of-Fluid method

A novel method for capturing two-dimensional, thin, under-resolved material configurations, known as “filaments,” is presented in the context of interface reconstruction. This technique uses a partitioning procedure to detect disconnected regions of material in the advective preimage of a cell (indicative of a filament) and makes use of the existing functionality of the Multimaterial Moment-of-Fluid interface reconstruction method to accurately capture the under-resolved feature, while exactly conserving volume. An algorithm for Adaptive Mesh Refinement in the presence of filaments is developed so that refinement is introduced only near the tips of filaments and where the Moment-of-Fluid reconstruction error is still large. Comparison to the standard Moment-of-Fluid method is made. It is demonstrated that using filament capturing at a given resolution yields gains in accuracy comparable to introducing an additional level of mesh refinement at significantly lower cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

As the demand for high-capacity battery materials continues to grow, the exploration of the interaction mechanisms between Li/Na/K atoms and electrode materials has gained tremendous attention. In this study, we introduce a descriptor (ɛɑ) aimed at efficiently identifying high-performance electrode materials, specifically from two-dimensional transition metal chalcogenides and C and N compounds (MXenes). Our density functional theory calculations disclose a robust linear relationship between this descriptor and the adsorption energy (Ead), represented as Ead = ɛɑ + b. The fitting parameters, ɛɑ and b, are individually linked to the inherent properties of the substrate and adsorbate. Explicitly, the descriptor ɛɑ represents the capacity of the electrode material to accommodate an extra electron, while the intercept b is determined by the ionization energy (EIP) of alkali atoms and the coupling energy (Ecp) between the cation to the negatively charged substrate. This finding serves as a practical guide for designing high-capacity battery materials and paves the way for future advancements in this field.

Physics↗
DOE OSTI2021

Spin-dependent vibronic response of a carbon radical ion in two-dimensional WS 2

Atomic spin centers in 2D materials are a highly anticipated building block for quantum technologies. Here, we demonstrate the creation of an effective spin-1/2 system via the atomically controlled generation of magnetic carbon radical ions (CRIs) in synthetic two-dimensional transition metal dichalcogenides. Hydrogenated carbon impurities located at chalcogen sites introduced by chemical doping are activated with atomic precision by hydrogen depassivation using a scanning probe tip. In its anionic state, the carbon impurity is computed to have a magnetic moment of 1 μ B resulting from an unpaired electron populating a spin-polarized in-gap orbital. We show that the CRI defect states couple to a small number of local vibrational modes. The vibronic coupling strength critically depends on the spin state and differs for monolayer and bilayer WS 2 . The carbon radical ion is a surface-bound atomic defect that can be selectively introduced, features a well-understood vibronic spectrum, and is charge state controlled.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of pressure on the band structure of BC{sub 3}

Density functional theory (DFT) calculations were carried out to study the effect of pressure on the band structure of two dimensional BC{sub 3} sheet. BC{sub 3} is a semiconductor at ambient conditions having a band gap of ~0.3 eV. Electronic structure calculations are carried out on BC{sub 3} at pressures of 5, 20, 50 and 100 GPa. The system shows a semiconductor – metal transition by the application of pressure without any structural transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Single-photon emission from two-dimensional perovskites channeled through low-energy edge states

Two-dimensional perovskites, an emerging family of van der Waals materials with an innate quantum-well structure, exhibit remarkable optical characteristics and compositional tunability. However, their potential as a source for quantum emitters remains unexplored. Here, we investigate low-energy edge states unique to two-dimensional perovskites using comprehensive photoluminescence imaging and spectroscopy, to further leverage them towards uncovering quantum emitters. In contrast to above-bandgap excitation, spatially localized single-photon emitters are realized through sub-bandgap energy excitation at the edges in exfoliated single crystals. Specifically, the sub-bandgap excitation facilitates efficient access to deeply confined states within the bandgap, as charge carriers can channel through low-energy edge states while inhibiting competing processes. Furthermore, we demonstrate single-photon emitters from artificially created edges via strain as well as from two-dimensional perovskites with different quantum-well thicknesses. Our findings provide promising opportunities in the development of two-dimensional quantum emitters, where two-dimensional perovskites may provide added functionalities with versatility in material design, fabrication, and scalability.

Materials for optics↗
DOE OSTI2018

Spatially controlled doping of two-dimensional SnS 2 through intercalation for electronics

Doped semiconductors are the most important building elements for modern electronic devices. In silicon-based integrated circuits, facile and controllable fabrication and integration of these materials can be realized without introducing a high-resistance interface. Besides, the emergence of two-dimensional (2D) materials enables the realization of atomically thin integrated circuits. However, the 2D nature of these materials precludes the use of traditional ion implantation techniques for carrier doping and further hinders device development10. Here, we demonstrate a solvent-based intercalation method to achieve p-type, n-type and degenerately doped semiconductors in the same parent material at the atomically thin limit. In contrast to naturally grown n-type S-vacancy SnS 2 , Cu intercalated bilayer SnS 2 obtained by this technique displays a hole field-effect mobility of ~40 cm 2 V -1 s -1 , and the obtained Co-SnS 2 exhibits a metal-like behaviour with sheet resistance comparable to that of few-layer graphene. Combining this intercalation technique with lithography, an atomically seamless p–n–metal junction could be further realized with precise size and spatial control, which makes in-plane heterostructures practically applicable for integrated devices and other 2D materials. Therefore, the presented intercalation method can open a new avenue connecting the previously disparate worlds of integrated circuits and atomically thin materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Quantum resistance standard accuracy close to the zero-dissipation state

We report on a comparison of four GaAs/AlGaAs-based quantum resistance standards using an original technique adapted from the well-known Wheatstone bridge. This work shows that the quantized Hall resistance at Landau level filling factor ν=2 can be reproducible with a relative uncertainty of 32×10{sup −12} in the dissipationless limit of the quantum Hall effect regime. In the presence of a very small dissipation characterized by a mean macroscopic longitudinal resistivity R{sub xx}(B) of a few μΩ, the discrepancy ΔR{sub H}(B) between quantum Hall resistors measured on the Hall plateau at magnetic induction B turns out to follow the so-called resistivity rule R{sub xx}(B)=αB×d(ΔR{sub H}(B))/dB. While the dissipation increases with the measurement current value, the coefficient α stays constant in the range investigated (40−120 μA). This result enlightens the impact of the dissipation emergence in the two-dimensional electron gas on the Hall resistance quantization, which is of major interest for the resistance metrology. The quantum Hall effect is used to realize a universal resistance standard only linked to the electron charge e and the Planck constant h and it is known to play a central role in the upcoming revised Système International of units. There are therefore fundamental and practical benefits in testing the reproducibility property of the quantum Hall effect with better and better accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Quantum Nonlinear Hall Effect Induced by Berry Curvature Dipole in Time-Reversal Invariant Materials

It is well known that a nonvanishing Hall conductivity requires broken time-reversal symmetry. However, we demonstrate that Hall-like currents can occur in second-order response to external electric fields in a wide class of time-reversal invariant and inversion breaking materials, at both zero and twice the driving frequency. This nonlinear Hall effect has a quantum origin arising from the dipole moment of the Berry curvature in momentum space, which generates a net anomalous velocity when the system is in a current-carrying state. The nonlinear Hall coefficient is a rank-two pseudotensor, whose form is determined by point group symmetry. We discus optimal conditions to observe this effect and propose candidate two- and three-dimensional materials, including topological crystalline insulators, transition metal dichalcogenides, and Weyl semimetals.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Exploiting lipopolysaccharide-induced deformation of lipid bilayers to modify membrane composition and generate two-dimensional geometric membrane array patterns

Supported lipid bilayers have proven effective as model membranes for investigating biophysical processes and in development of sensor and array technologies. The ability to modify lipid bilayers after their formation and in situ could greatly advance membrane technologies, but is difficult via current state-of-the-art technologies. Here we demonstrate a novel method that allows the controlled post-formation processing and modification of complex supported lipid bilayer arrangements, under aqueous conditions. We exploit the destabilization effect of lipopolysaccharide, an amphiphilic biomolecule, interacting with lipid bilayers to generate voids that can be backfilled to introduce desired membrane components. We further demonstrate that when used in combination with a single, traditional soft lithography process, it is possible to generate hierarchically-organized membrane domains and microscale 2-D array patterns of domains. Significantly, this technique can be used to repeatedly modify membranes allowing iterative control over membrane composition. This approach expands our toolkit for functional membrane design, with potential applications for enhanced materials templating, biosensing and investigating lipid-membrane processes.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Probing Spin-Relaxation Anisotropy in 1D InSb Wires by Weak Anti-Localization

Arrays of quasi-one-dimensional wires were fabricated in symmetrically doped AlInSb/InSb heterostructures to investigate the dimensional suppression of electron spin relaxation. Using weak localization analysis, it was discovered that the spin relaxation length in 300nm wide wires was enhanced by 40% relative to the two-dimensional value. Moreover, wires aligned along the <100> direction showed spin relaxation lengths {approx}30% longer than for wires aligned along <110>. This anisotropy is consistent with the additional influence of the cubic Dresselhaus interaction along the <110> direction which is predicted to be unaffected by dimensional confinement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Carbene Functionalization of Monolayer Tungsten Disulfide for Enhanced Quantum Emission

Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are promising materials for an array of applications, ranging from conventional field-effect transistors, photodetectors, and light-emitting diodes to their more recent use in quantum photonic technologies. Chemical functionalization of 2D TMDs with organic ligands and adlayers provides an additional means for customizing their electronic and optical properties. While many pathways have been reported for the chemical functionalization of 2D TMDs, their frequent reliance on solution-based methods results in limited control over adlayer thickness and coverage, thus hindering utility in high-performance applications. Here, in this study, we describe the vapor-phase functionalization of a 2D TMD with carbene ligands, specifically tungsten disulfide (WS 2 ) with N-heterocyclic carbenes (NHCs), resulting in molecularly smooth, thin, and uniform adlayers. Reacting NHCs with monolayer WS 2 reduces the broad photoluminescence background observed at cryogenic temperatures by 58%, which facilitates the detection of single-photon emitters from strained monolayer WS 2 , as indicated by second order correlation values ( g (2) ) as low as 0.17 ± 0.07. Chemical characterization coupled with density functional theory calculations suggests that the NHC adlayer has a dual defect-passivation and doping effect on monolayer WS 2 that results in enhanced single-photon emission. Overall, this study establishes vapor-phase carbene functionalization as a homogeneous surface modification scheme for tailoring the quantum emission properties of semiconducting 2D TMDs.

N-heterocyclic carbenes↗