Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Quantum Routing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb

Low thermal conductivity is favorable for preserving the temperature gradient between the two ends of a thermoelectric material, in order to ensure continuous electron current generation. In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic in PbTe and SnSe, and phonon scattering resulting from the dynamic disorder in AgCrSe2 and CuCrSe2, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phononanharmonic-induced ultralow lattice thermal conductivity in α-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the compound’s intrinsic distorted rocksalt sublattice, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in α-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Inkjet printing of epitaxially connected nanocrystal superlattices

Access to a blossoming library of colloidal nanomaterials provides building blocks for complex assembled materials. The journey to bring these prospects to fruition stands to benefit from the application of advanced processing methods. Epitaxially connected nanocrystal (or quantum dot) superlattices present a captivating model system for mesocrystals with intriguing emergent properties. The conventional processing approach to creating these materials involves assembling and attaching the constituent nanocrystals at the interface between two immiscible fluids. Processing small liquid volumes of the colloidal nanocrystal solution involves several complexities arising from the concurrent spreading, evaporation, assembly, and attachment. The ability of inkjet printers to deliver small (typically picoliter) liquid volumes with precise positioning is attractive to advance fundamental insights into the processing science, and thereby potentially enable new routes to incorporate the epitaxially connected superlattices into technology platforms. In this study, we identified the processing window of opportunity, including nanocrystal ink formulation and printing approach to enable delivery of colloidal nanocrystals from an inkjet nozzle onto the surface of a sessile droplet of the immiscible subphase. We demonstrate how inkjet printing can be scaled-down to enable the fabrication of epitaxially connected superlattices on patterned sub-millimeter droplets. Furthermore, we anticipate that insights from this work will spur on future advances to enable more mechanistic insights into the assembly processes and new avenues to create high-fidelity superlattices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Generation of focusing ion beams by magnetized electron sheath acceleration

Abstract We present the first 3D fully kinetic simulations of laser driven sheath-based ion acceleration with a kilotesla-level applied magnetic field. The application of a strong magnetic field significantly and beneficially alters sheath based ion acceleration and creates two distinct stages in the acceleration process associated with the time-evolving magnetization of the hot electron sheath. The first stage delivers dramatically enhanced acceleration, and the second reverses the typical outward-directed topology of the sheath electric field into a focusing configuration. The net result is a focusing, magnetic field-directed ion source of multiple species with strongly enhanced energy and number. The predicted improvements in ion source characteristics are desirable for applications and suggest a route to experimentally confirm magnetization-related effects in the high energy density regime. We additionally perform a comparison between 2D and 3D simulation geometry, on which basis we predict the feasibility of observing magnetic field effects under experimentally relevant conditions.

42 ENGINEERING↗
DOE OSTI2021

A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Abstract We report on the delithiation of LiCoO 2 thin films using oxalic acid (C 2 H 2 O 4 ) with the goal of understanding the structural degradation of an insertion oxide associated with Li chemical extraction. Using a multi-technique approach that includes synchrotron radiation X-ray diffraction, scanning electron microscopy, micro Raman spectroscopy, photoelectron spectroscopy and conductive atomic force microscopy we reveal the balance between selective Li extraction and structural damage. We identify three different delithiation regimes, related to surface processes, bulk delithiation and damage generation. We find that only a fraction of the grains is affected by the delithiation process, which may create local inhomogeneities. However, the bulk delithiation regime is effective to delithiate the LCO film. All experimental evidence collected indicates that the delithiation process in this regime mimics the behavior of LCO upon electrochemical delithiation. We discard the formation of Co oxalate during the chemical extraction process. In conclusion, the chemical route to Li extraction provides additional opportunities to investigate delithiation while avoiding the complications associated with electrolyte breakdown and simplifying in-situ measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Tuning the photophysical properties of BODIPY dyes through extended aromatic pyrroles

Three new BODIPY dyes have been synthesized by a two-step synthetic route. Here, this expands the series to nine different BODIPY dyes by this method. Naphtha[1,2-c]pyrrole was combined with 1-pyrenecarboxaldehyde to give a symmetric dipyrrin followed by reaction with boron trifluoride to give a symmetric highly conjugated BODIPY dye. Expanding this synthetic route to a more conjugated pyrrole fluorantho[2,3-c]pyrrole was combined with 1-pyrenecarboxaldehyde followed by reaction with boron trifluoride to give the asymmetric BODIPY dye (9). Dyes with the more highly conjugated fluoranthopyrrole resulted in a bathochromic shift of ca. 50 nm in the electronic absorption and showed greater stability of the LUMO energy, as determined by electrochemical measurements, compared to their naphthapyrrole analogs. All of the dyes synthesized by this method display molar absorptivities greater than 100 000 M -1 cm -1 with photoluminescence quantum efficiencies of 0.8–1.0. Excited state lifetimes of the dyes in dichloromethane are modest, ranging from 3.2 ns to 4.3 ns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Broadband three-photon near-infrared quantum cutting in Tm{sup 3+} singly doped YVO{sub 4}

An efficient three-photon near-infrared (NIR) quantum cutting (QC) is reported in Tm{sup 3+} singly doped YVO{sub 4} polycrystalline phosphors, where an optimized content of Tm{sup 3+} is determined to be 1.0 mol. %. Upon the absorption of a visible photon around 473 nm, three NIR photons emitting at 1180, 1479, and 1800 nm can be obtained efficiently by the sequential three-step radiative transitions of Tm{sup 3+}. The underlying mechanisms are analyzed in terms of the steady and dynamic fluorescence spectra measurements. Internal quantum yield is calculated to be 161.8% as a theoretical value when luminescence quenching due to defect species can be overcome. In addition, the broadband ultraviolet (UV)-excited [VO{sub 4}]{sup 3−} can strongly sensitize the {sup 1}G{sub 4} level of Tm{sup 3+} in the wavelength range likely from 250 to 360 nm, greatly increasing the UV photo-response and NIR fluorescent intensity of Tm{sup 3+}. The further development of this broadband three-photon NIR QC material would explore the new route to improve the photo-response of novel photoelectronic devices, particularly in 250–360 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The excitonic insulator route through a dynamical phase transition induced by an optical pulse

We consider a dynamical phase transition induced by a short optical pulse in a system prone to thermodynamical instability. We address the case of pumping to excitons whose density contributes directly to the order parameter. To describe both thermodynamic and dynamic effects on equal footing, we adopt a view of the excitonic insulator for the phase transition and suggest a formation of the Bose condensate for the pumped excitons. The work is motivated by experiments in donor–acceptor organic compounds with a neutral- ionic phase transition coupled to the spontaneous lattice dimerization and to charge transfer excitons. The double nature of the ensemble of excitons leads to an intricate time evolution, in particular, to macroscopic quantum oscillations from the interference between the Bose condensate of excitons and the ground state of the excitonic insulator. The coupling of excitons and the order parameter also leads to self-trapping of their wave function, akin to self-focusing in optics. The locally enhanced density of excitons can surpass a critical value to trigger the phase transformation, even if the mean density is below the required threshold. The system is stratified in domains that evolve through dynamical phase transitions and sequences of merging. The new circumstances in experiments and theory bring to life, once again, some remarkable inventions made by L.V. Keldysh.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tuning Spin-Orbit Torques Across the Phase Transition in VO 2 /NiFe Heterostructure

The emergence of spin-orbit torques as a promising approach to energy-efficient magnetic switching has generated large interest in material systems with easily and fully tunable spin-orbit torques. We report current-induced spin-orbit torques in VO 2 /NiFe heterostructures are investigated using spin-torque ferromagnetic resonance, where the VO 2 layer undergoes a prominent insulator-metal transition. A roughly twofold increase in the Gilbert damping parameter, α, with temperature is attributed to the change in the VO 2 /NiFe interface spin absorption across the VO 2 phase transition. More remarkably, a large modulation (±100%) and a sign change of the current-induced spin-orbit torque across the VO 2 phase transition suggest two competing spin-orbit torque generating mechanisms. The bulk spin Hall effect in metallic VO 2 , corroborated by the first-principles calculation of the spin Hall conductivity σ SH ≈ -10 4 ($\frac{\hbar}{e}$) Ω -1 m -1 , is verified as the main source of the spin-orbit torque in the metallic phase. The self-induced/anomalous torque in NiFe, with opposite sign and a similar magnitude to the bulk spin Hall effect in metallic VO 2 , can be the other competing mechanism that dominates as temperature decreases. For applications, the strong tunability of the torque strength and direction opens a new route to tailor spin-orbit torques of materials that undergo phase transitions for new device functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Significantly Enhanced Emission Stability of CsPbBr 3 Nanocrystals via Chemically Induced Fusion Growth for Optoelectronic Devices

Lead–halide perovskite nanocrystals (PNCs) have attracted much attention in recent years due to their outstanding optical properties. We report here a new chemical route for triggering postsynthetic growth of CsPbBr 3 PNCs at room temperature via intentional depletion of stabilizing ligands, resulting in an immediate fusion growth of the as-synthesized PNCs. Upon fusion, the CsPbBr 3 PNCs can grow from ca. 8 nm to ca. 60 nm in lateral dimensions in 48 h, reaching about 14 nm in thickness. More importantly, it was found that the fused PNCs have significantly enhanced optical properties. They showed an exceptionally higher stability to photodegradation. They also displayed sharper emission lines and a higher quantum yield, contrary to the fact that the nanocrystals are much larger. The much-improved optical properties are attributed to the Ruddlesden–Popper (RP) planar faults formed during the fusion process and observed using atomic resolution scanning transmission electron microscopy, which are predicted to result in quantum confinement based on density-functional theory calculations. The newly grown nanocrystals with RP defects are expected to significantly improve light emission properties of the PNCs and find applications in light-emitting diodes and other optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cavity-modified molecular dipole switching dynamics

Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, have a number of useful properties that offer new routes to control molecular photochemistry using electric fields. To provide a theoretical description of how polaritonic states affect the real-time electron dynamics in molecules, a new method is described where the effects of strong light–molecule coupling are implemented using real-time electronic structure theory. The coupling between the molecular electronic states and the cavity is described by the Pauli–Fierz Hamiltonian, and transitions between polaritonic states are induced via an external time-dependent electric field using time-dependent configuration interaction (TDCI) theory, producing quantum electrodynamics TDCI (QED-TDCI). This method is used to study laser-induced ultrafast charge transfer and dipole-switching dynamics of the LiCN molecule inside a cavity. The increase in cavity coupling strength is found to have a significant impact on the energies and transition dipole moments of the molecule–cavity system. The convergence of the polaritonic state energies as a function of the number of included electronic and photonic basis states is discussed.

Chemistry↗
DOE OSTI2022

Triplet Energy Transfer from Lead Halide Perovskite for Highly Selective Photocatalytic 2 + 2 Cycloaddition

Triplet excitons are generally confined within a semiconductor. Hence, solar energy utilization via direct triplet energy transfer (TET) from semiconductors is challenging. TET from lead halide perovskite semiconductors to nearby organic molecules has been illustrated with ultrafast spectroscopy. Direct utilization of solar energy, i.e., visible light, via TET for photocatalysis is an important route but has not yet been demonstrated with lead halide perovskite semiconductors. Here, we show that a photocatalytic reaction, focusing on a 2 + 2 cycloaddition reaction, can been successfully demonstrated via TET from lead halide perovskite nanocrystals (PNCs). In this work, the triplet excitons are shown to induce a highly diastereomeric syn-selective 2 + 2 cycloaddition starting from olefins. Such photocatalytic reactions probe the TET process previously only observed spectroscopically. Moreover, our observation demonstrates that bulk-like PNCs (size, >10 nm; PL = 530 nm), in addition to quantum-confined smaller PNCs, are also effective for TET. Our findings may render a new energy conversion pathway to employ PNCs via direct TET for photocatalytic organic synthesis.

14 SOLAR ENERGY↗
NASA NTRS2003

Compact Interconnection Networks Based on Quantum Dots

Architectures that would exploit the distinct characteristics of quantum-dot cellular automata (QCA) have been proposed for digital communication networks that connect advanced digital computing circuits. In comparison with networks of wires in conventional very-large-scale integrated (VLSI) circuitry, the networks according to the proposed architectures would be more compact. The proposed architectures would make it possible to implement complex interconnection schemes that are required for some advanced parallel-computing algorithms and that are difficult (and in many cases impractical) to implement in VLSI circuitry. The difficulty of implementation in VLSI and the major potential advantage afforded by QCA were described previously in Implementing Permutation Matrices by Use of Quantum Dots (NPO-20801), NASA Tech Briefs, Vol. 25, No. 10 (October 2001), page 42. To recapitulate: Wherever two wires in a conventional VLSI circuit cross each other and are required not to be in electrical contact with each other, there must be a layer of electrical insulation between them. This, in turn, makes it necessary to resort to a noncoplanar and possibly a multilayer design, which can be complex, expensive, and even impractical. As a result, much of the cost of designing VLSI circuits is associated with minimization of data routing and assignment of layers to minimize crossing of wires. Heretofore, these considerations have impeded the development of VLSI circuitry to implement complex, advanced interconnection schemes. On the other hand, with suitable design and under suitable operating conditions, QCA-based signal paths can be allowed to cross each other in the same plane without adverse effect. In principle, this characteristic could be exploited to design compact, coplanar, simple (relative to VLSI) QCA-based networks to implement complex, advanced interconnection schemes. The proposed architectures require two advances in QCA-based circuitry beyond basic QCA-based binary-signal wires described in the cited prior article. One of these advances would be the development of QCA-based wires capable of bidirectional transmission of signals. The other advance would be the development of QCA circuits capable of high-impedance state outputs. The high-impedance states would be utilized along with the 0- and 1-state outputs of QCA.

Fijany, Amir↗
DOE OSTI2017

On the Effect of Confinement on the Structure and Properties of Small-Molecular Organic Semiconductors

Many typical organic optoelectronic devices, such as light-emitting diodes, field-effect transistors, and photovoltaic cells, use an ultrathin active layer where the organic semiconductor is confined within nanoscale dimensions. However, the question of how this spatial constraint impacts the active material is rarely addressed, although it may have a drastic influence on the phase behavior and microstructure of the active layer and hence the final performance. Here, the small-molecule semiconductor p-DTS(FBTTh 2 ) 2 is used as a model system to illustrate how sensitive this class of material can be to spatial confinement on device-relevant length scales. It is also shown that this effect can be exploited; it is demonstrated, for instance, that spatial confinement is an efficient tool to direct the crystal orientation and overall texture of p-DTS(FBTTh 2 ) 2 structures in a controlled manner, allowing for the manipulation of properties including photoluminescence and charge transport characteristics. This insight should be widely applicable as the temperature/confinement phase diagrams established via differential scanning calorimetry and grazing-incidence X-ray diffraction are used to identify specific processing routes that can be directly extrapolated to other functional organic materials, such as polymeric semiconductors, ferroelectrics or high-refractive-index polymers, to induce desired crystal textures or specific (potentially new) polymorphs.

14 SOLAR ENERGY↗
DOE OSTI2014

Pressure-induced reversal between thermal contraction and expansion in ferroelectric PbTiO3

Materials with zero/near zero thermal expansion coefficients are technologically important for applications in thermal management and engineering. To date, this class of materials can only be produced by chemical routes, either by changing chemical compositions or by composting materials with positive and negative thermal expansion. Here, we report for the first time a physical route to achieve near zero thermal expansion through application of pressure. In the stability field of tetragonal PbTiO3 we observed pressure-induced reversals between thermal contraction and expansion between ambient pressure and 0.9 GPa. This hybrid behavior leads to a mathematically infinite number of crossover points in the pressure-volume-temperature space and near-zero thermal expansion coefficients comparable to or even smaller than those attained by chemical routes. The observed pressures for this unusual phenomenon are within a small range of 0.1– 0.9 GPa, potentially feasible for designing stress-engineered materials, such as thin films and nano-crystals, for thermal management applications.

FERROELECTRICS AND MULTIFERROICS↗
DOE OSTI2018

Effects of Annealing Temperature on Microstructure and Magnetic Properties of Ni{sub 0.05}Zn{sub 0.95}Fe{sub 2}O{sub 4} Nanoparticles

The magnetic behavior of Ni{sub 0.05}Zn{sub 0.95}Fe{sub 2}O{sub 4} nanoparticles synthesized by the sol–gel technique route was clarified To figure out the influence of annealing temperature on the structure of Ni{sub 0.05}Zn{sub 0.95}Fe{sub 2}O{sub 4} particles, x-ray diffraction (XRD) tool was used and revealed spinel cubic structure without any secondary phases. The particle formation and sizes were obtained using scanning electron microscope (SEM). Elemental composition of the nanoparticles was also provided by an energy-dispersive x-ray analysis tool (EDX). The magnetic behaviors of the synthesized powders annealed at varying temperatures were determined by vibrating sample quantum design PPMS measurement system tool. The M–H curves of the samples showed that the samples had S-shape but they reached no saturation state at the presence even at 30 kOe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Perovskite Photocatalytic CO 2 Reduction or Photoredox Organic Transformation?

Abstract Metal‐halide perovskites have been explored as photocatalysts for CO 2 reduction. We report that perovskite photocatalytic CO 2 reduction in organic solvents is likely problematic. Instead, the detected products (i.e., CO) likely result from a photoredox organic transformation involving the solvent. Our observations have been validated using isotopic labeling experiments, band energy analysis, and new control experiments. We designed a typical perovskite photocatalytic setup in organic solvents that led to CO production of up to ≈1000 μmol g −1 h −1 . CO 2 reduction in organic solvents must be studied with extra care because photoredox organic transformations can produce orders of magnitude higher rate of CO or CH 4 than is typical for CO 2 reduction routes. Though CO 2 reduction is not likely to occur, in situ CO generation is extremely fast. Hence a suitable system can be established for challenging organic reactions that use CO as a feedstock but exploit the solvent as a CO surrogate.

14 SOLAR ENERGY↗
DOE OSTI2016

Quantum anomalous Hall effect in time-reversal-symmetry breaking topological insulators

The quantum anomalous Hall effect (QAHE), the last member of Hall family, was predicted to reflect quantized Hall conductivity ${{\sigma}_{yx}}=\frac{{{e}^{2}}}{h}$ without any external magnetic field. The QAHE shares a similar physical phenomenon with the integer quantum Hall effect (QHE), whereas its physical origin relies on the intrinsic topological inverted band structure and ferromagnetism. Since the QAHE does not require external energy input in the form of magnetic field, it is believed that this effect has unique potential for applications in future electronic devices with low-power consumption. More recently, the QAHE has been experimentally observed in thin films of the time-reversal symmetry breaking ferromagnetic (FM) topological insulators (TI), Cr- and V- doped (Bi,Sb)2Te3. Here, we review the history of TI based QAHE, the route to the experimental observation of the QAHE in the above two systems, the current status of the research of the QAHE, and finally the prospects for future studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Assessing ligand selectivity for uranium over vanadium ions to aid in the discovery of superior adsorbents for extraction of UO 2 2+ from seawater

Uranium is used as the basic fuel for nuclear power plants, which generate significant amounts of electricity and have life cycle carbon emissions that are as low as renewable energy sources. However, the extraction of this valuable energy commodity from the ground remains controversial, mainly because of environmental and health impacts. Alternatively, seawater offers an enormous uranium resource that may be tapped at minimal environmental cost. Nowadays, amidoxime polymers are the most widely utilized sorbent materials for large-scale extraction of uranium from seawater, but they are not perfectly selective for uranyl, UO 2 2+ . In particular, the competition between UO 2 2+ and VO 2+ /VO2+ cations poses a significant challenge to the effi-cient mining of UO 2 2+ . Thus, screening and rational design of more selective ligands must be accomplished. One of the key components in achieving this goal is the establishment of computational techniques capable of assessing ligand selec-tivity trends. Here, we report an approach based on quantum chemical calculations that achieves high accuracy in repro-ducing experimental aqueous stability constants for VO 2+ /VO 2 + complexes with ten different oxygen donor lig-ands. The predictive power of the developed computational protocol was demonstrated for amidoxime-type ligands, providing greater insights into new design strategies for the development of the next generation of adsorbents with high selectivity toward UO 2 2+ over VO 2+ /VO 2 + ions. Furthermore, the results of calculations suggest that alkylation of amidox-ime moieties present in poly(acrylamidoxime) sorbents can be a potential route to better discrimination between the uranyl and competing vanadium ions within seawater.

07 ISOTOPE AND RADIATION SOURCES↗