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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Terahertz lasers and amplifiers based on resonant optical phonon scattering to achieve population inversion

The present invention provides quantum cascade lasers and amplifier that operate in a frequency range of about 1 Terahertz to about 10 Terahertz. In one aspect, a quantum cascade laser of the invention includes a semiconductor heterostructure that provides a plurality of lasing modules connected in series. Each lasing module includes a plurality of quantum well structure that collectively generate at least an upper lasing state, a lower lasing state, and a relaxation state such that the upper and the lower lasing states are separated by an energy corresponding to an optical frequency in a range of about 1 to about 10 Terahertz. The lower lasing state is selectively depopulated via resonant LO-phonon scattering of electrons into the relaxation state.

Hu, Qing↗
NASA NTRS2009

Terahertz lasers and amplifiers based on resonant optical phonon scattering to achieve population inversion

The present invention provides quantum cascade lasers and amplifier that operate in a frequency range of about 1 Terahertz to about 10 Terahertz. In one aspect, a quantum cascade laser of the invention includes a semiconductor heterostructure that provides a plurality of lasing modules connected in series. Each lasing module includes a plurality of quantum well structure that collectively generate at least an upper lasing state, a lower lasing state, and a relaxation state such that the upper and the lower lasing states are separated by an energy corresponding to an optical frequency in a range of about 1 to about 10 Terahertz. The lower lasing state is selectively depopulated via resonant LO-phonon scattering of electrons into the relaxation state.

Hu, Qing↗
NASA NTRS2013

High-Power Single-Mode 2.65-micron InGaAsSb/AlInGaAsSb Diode Lasers

Central to the advancement of both satellite and in-situ science are improvements in continuous-wave and pulsed infrared laser systems coupled with integrated miniaturized optics and electronics, allowing for the use of powerful, single-mode light sources aboard both satellite and unmanned aerial vehicle platforms. There is a technological gap in supplying adequate laser sources to address the mid-infrared spectral window for spectroscopic characterization of important atmospheric gases. For high-power applications between 2 to 3 micron, commercial laser technologies are unsuitable because of limitations in output power. For instance, existing InP-based laser systems developed for fiber-based telecommunications cannot be extended to wavelengths longer than 2 micron. For emission wavelengths shorter than 3 micron, intersubband devices, such as infrared quantum cascade lasers, become inefficient due to band-offset limitations. To date, successfully demonstrated singlemode GaSb-based laser diodes emitting between 2 and 3 micron have employed lossy metal Bragg gratings for distributed- feedback coupling, which limits output power due to optical absorption. By optimizing both the quantum well design and the grating fabrication process, index-coupled distributed-feedback 2.65-micron lasers capable of emitting in excess of 25 mW at room temperature have been demonstrated. Specifically, lasers at 3,777/cm (2.65 micron) have been realized to interact with strong absorption lines of HDO and other isotopologues of H2O. With minor modifications of the optical cavity and quantum well designs, lasers can be fabricated at any wavelength within the 2-to-3-micron spectral window with similar performance. At the time of this reporting, lasers with this output power and wavelength accuracy are not commercially available. Monolithic ridge-waveguide GaSb lasers were fabricated that utilize secondorder lateral Bragg gratings to generate single-mode emission from InGaAsSb/ AlInGaAsSb multi-quantum well structures. The device fabrication utilizes etched index-coupled gratings in the top AlGaAsSb cladding of the laser chip along the ridge waveguide, whereas commercial lasers that emit close to this wavelength include loss-coupled metal gratings that limit the output power of the laser. Semiconductor-laser-based spectrometers can be used to replace gas sensors currently used in industry and government. With the availability of high-power laser sources at mid-infrared wavelengths, sensors can target strong fundamental gas absorption lines to maximize instrument sensitivity.

Frez, Clifford F.↗
NASA NTRS2013

Fabrication of Nanovoid-Imbedded Bismuth Telluride with Low Dimensional System

A new fabrication method for nanovoids-imbedded bismuth telluride (Bi--Te) material with low dimensional (quantum-dots, quantum-wires, or quantum-wells) structure was conceived during the development of advanced thermoelectric (TE) materials. Bismuth telluride is currently the best-known candidate material for solid-state TE cooling devices because it possesses the highest TE figure of merit at room temperature. The innovative process described here allows nanometer-scale voids to be incorporated in Bi--Te material. The final nanovoid structure such as void size, size distribution, void location, etc. can be also controlled under various process conditions.

Chu, Sang-Hyon↗
NASA NTRS2022

4. Parallels in Communication and Navigation Technology and Natural Phenomenon

This chapter represents an introspective search for hidden connections between technology and nature and inadvertent influence on biomimicry – especially as it pertains to links to electromagnetics in navigation and communication systems. Several devices, phenomena, and approaches to problem solving are considered and an attempt is made to identify linkages between experiences, observables and the way we think about and create new technology.

Advanced Air Mobility↗
DOE OSTI2020

Structure of a chaotic tangle of quantum vortices in turbulent superfluid liquids and in a Bose – Einstein condensate

Based on the theory of the thermodynamic equilibrium in a system of quantum vortices in superfluid liquids and in a Bose – Einstein condensate in the presence of a counterflow of normal and superfluid components, we investigate the structure of a chaotic tangle of quantum vortices in turbulent superfluid liquids. Using the characteristic functional method, the properties of hydrodynamic vortex filaments are examined. It is shown that the average curvature of the vortex lines is on the order of the intervortex distance, with the proportionality coefficient being independent of the counterflow velocity. It is found that the degree of anisotropy of the vortex loops does not depend on the applied counterflow velocity. The obtained results explain the origin of the anisotropy as well as the relationship between the curvature of the lines and the intervortex space and their dependence on the parameters of the problem. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

Metal atom clusters are studied based on the application of ab initio quantum mechanical approaches. Because these large 'molecular' systems pose special practical computational problems in the application of the quantum mechanical methods, there is a special need to find simplifying techniques that do not compromise the reliability of the calculations. Research is therefore directed towards various aspects of the implementation of the effective core potential technique for the removal of the metal atom core electrons from the calculations.

Kahn, L. R.↗
DOE OSTI2024

Training models using forces computed by stochastic electronic structure methods

Abstract Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of a smaller systematic bias and an ability to cover phase space more completely. The stochastic noise can ease the training of the machine learning model. We discuss how stochastic errors affect the generation of effective models by analyzing the errors within a linear least squares procedure, finding that there is an advantage to having many relatively imprecise data points for constructing models. We then analyze the effect of noise on a model of many-body silicon finding that noise in some situations improves the resulting model. We then study the effect of QMC noise on two machine learning models of dense hydrogen used in a recent study of its phase diagram. The noise enables us to estimate the errors in the model. We conclude with a discussion of future research problems.

Ceperley, David M. (ORCID:0000000150826271)↗
DOE OSTI2024

Green-emitting cubic GaN/In 0.16 Ga 0.84 N/GaN quantum well with 32% internal quantum efficiency at room temperature

Structural and optical properties of a green-emitting cubic (i.e., zinc blende) GaN/In 0.16 Ga 0.84 N/GaN single quantum well structure are reported. The active layer is grown on a phase-pure (i.e., 100%) cubic GaN enabled on a 1 × 1 cm 2 U-grooved silicon (100) through aspect ratio phase trapping. Energy dispersive x-ray spectroscopy combined with room temperature cathodoluminescence reveals 522 nm green light emission at room temperature with only 16.0% ± 1.6% of indium content, which is ~30% less than the amount of indium needed in a traditional green-emitting hexagonal (i.e., wurtzite) well. Temperature-dependent behavior of the green emission, such as activation energy, s-shaped peak energy shift, and linewidth, is reported. Cathodoluminescence at 8 and 300 K reveals an internal quantum efficiency of 32.0% ± 0.6%, which is higher than any reported value for cubic wells. Altogether, phase-pure cubic active layers on phase transition cubic GaN are shown to be promising for green and longer wavelength emitters.

42 ENGINEERING↗
DOE OSTI2025

Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Near-term quantum devices require wavefunction ansätze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While the unitary coupled cluster ansatz (e.g., UCCSD) has become a standard, the high gate count associated with the implementation of this limits its feasibility on noisy intermediate-scale quantum (NISQ) hardware. k -Fold unitary cluster Jastrow (uCJ) ansätze mitigate this challenge by providing O( kN 2 ) circuit scaling and favorable linear depth circuit implementation. Previous work has focused on the real orbitalrotation (Re-uCJ) variant of uCJ, which allows an exact (Trotter-free) implementation. Here we extend and generalize the k -fold uCJ framework by introducing two new variants, Im-uCJ and g-uCJ, which incorporate imaginary and fully complex orbital rotation operators, respectively. Similar to Re-uCJ, both of the new variants achieve quadratic gate-count scaling. Our results focus on the simplest k = 1 model, and show that the uCJ models frequently maintain energy errors within chemical accuracy (∼1 kcal mol −1 ). Both g-uCJ and Im-uCJ are more expressive in terms of capturing electron correlation and are also more accurate than the earlier Re-uCJ ansatz. We further show that Im-uCJ and g-uCJ circuits can also be implemented exactly, without any Trotter decomposition. Numerical tests using k = 1 on H 2 , H 3 + , Be 2 , C 2 H 4 , C 2 H 6 and C 6 H 6 in various basis sets confirm the practical feasibility of these shallow Jastrow-based ansätze for applications on near-term quantum hardware.

Tkachenko, Nikolay V. [University of California, B↗
DOE OSTI2024

Building spatial symmetries into parameterized quantum circuits for faster training

Abstract Practical success of quantum learning models hinges on having a suitable structure for the parameterized quantum circuit. Such structure is defined both by the types of gates employed and by the correlations of their parameters. While much research has been devoted to devising adequate gate-sets, typically respecting some symmetries of the problem, very little is known about how their parameters should be structured. In this work, we show that an ideal parameter structure naturally emerges when carefully considering spatial symmetries (i.e. the symmetries that are permutations of parts of the system under study). Namely, we consider the automorphism group of the problem Hamiltonian, leading us to develop a circuit construction that is equivariant under this symmetry group. The benefits of our novel circuitstructure, called ORB, are numerically probed in several ground-state problems. We find a consistent improvement (in terms of circuit depth, number of parameters required, and gradient magnitudes) compared to literature circuit constructions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Building spatial symmetries into parameterized quantum circuits for faster training

Practical success of quantum learning models hinges on having a suitable structure for the parameterized quantum circuit. Such structure is defined both by the types of gates employed and by the correlations of their parameters. While much research has been devoted to devising adequate gate-sets, typically respecting some symmetries of the problem, very little is known about how their parameters should be structured. In this work, we show that an ideal parameter structure naturally emerges when carefully considering spatial symmetries (i.e. the symmetries that are permutations of parts of the system under study). Namely, we consider the automorphism group of the problem Hamiltonian, leading us to develop a circuit construction that is equivariant under this symmetry group. The benefits of our novel circuitstructure, called ORB, are numerically probed in several ground-state problems. We find a consistent improvement (in terms of circuit depth, number of parameters required, and gradient magnitudes) compared to literature circuit constructions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Quantum Choreography of the Nucleus: Rotations, Vibrations, and Emergent Structure

Abstract Nuclei are complex many-body quantum systems where interactions of the neutrons and protons via the strong, the weak, and the electromagnetic forces lead to the emergence of simple patterns of energy states that have been described by various theoretical approaches. One of the goals of all the theoretical models is the development of a universal theory that can be applied across the entire chart of nuclides. Significant progress has been made by experiments as well as the increasing sophistication of models, but a universal theory has yet to be established. A recent review of nuclei in the Z = 50–82 region of the chart of nuclides has analyzed all the available compiled data from several decades of studies towards a clarification of the low-lying structure of nuclei. Other reviews have reported and explained the emergence of multiple different shapes in nuclei at somewhat higher excitation energies than the ground state. Some have challenged the interpretation of the first excited K π = 0 + band as a vibration of ground state. This work attempts to provide a guide to determining the nature of the first excited K π = 0 + band in nuclei by the combined use of nuclear lifetimes, energy level evolutions, dynamic moments of inertia, and intrinsic quadrupole moments extracted from transition probabilities. The result is that for a subset of the nuclei in this region, the K π = 0 + band is consistent with the traditional 𝛽-vibration description of an oscillation built on the ground state.

CHFB+5DCH↗
DOE OSTI2024

Learning energy-based representations of quantum many-body states

Efficient representation of quantum many-body states on classical computers is a problem of practical importance. An ideal representation of a quantum state combines a succinct characterization informed by the structure and symmetries of the system along with the ability to predict the physical observables of interest. Several machine-learning approaches have been recently used to construct such classical representations, which enable predictions of observables and account for physical symmetries. However, the structure of a quantum state typically gets lost unless a specialized is employed based on prior knowledge of the system. Moreover, most such approaches give no information about what states are easier to learn in comparison with others. Here, we propose a generative energy-based representation of quantum many-body states derived from Gibbs distributions used for modeling the thermal states of classical spin systems. Based on the prior information on a family of quantum states, the energy function can be specified by a small number of parameters using an explicit low-degree polynomial or a generic parametric family such as neural nets and can naturally include the known symmetries of the system. Our results show that such a representation can be efficiently learned from data using exact algorithms in a form that enables the prediction of expectation values of physical observables. Importantly, the structure of the learned energy function provides a natural explanation for the difficulty of learning an energy-based representation of a given class of quantum states when measured in a certain basis. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hybridization and deconfinement in colloidal quantum dot molecules

The structural, electronic, and optical properties of CdSe/CdS core–shell colloidal quantum dot molecules, a new class of coupled quantum dot dimers, are explored using atomistic approaches. Unlike the case of dimers grown by molecular beam epitaxy, simulated strain profile maps of free-standing colloidal dimers show negligible additional strain resulting from the attachment. Further, the electronic properties of the relaxed dimers are described within a semiempirical pseudopotential model combined with the Bethe–Salpeter equation within the static screening approximation to account for electron–hole correlations. The interplay of strain, hybridization (tunneling splitting), quantum confinement, and electron–hole binding energies on the optical properties is analyzed and discussed. The effects of the dimensions of the neck connecting the two quantum dot building blocks, as well as the shell thickness, are studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Dot-in-Well Quantum-Dot Infrared Photodetectors

Dot-in-well (DWELL) quantum-dot infrared photodetectors (QDIPs) [DWELL-QDIPs] are subjects of research as potentially superior alternatives to prior QDIPs. Heretofore, there has not existed a reliable method for fabricating quantum dots (QDs) having precise, repeatable dimensions. This lack has constituted an obstacle to the development of uniform, high-performance, wavelength-tailorable QDIPs and of focal-plane arrays (FPAs) of such QDIPs. However, techniques for fabricating quantum-well infrared photodetectors (QWIPs) having multiple-quantum- well (MQW) structures are now well established. In the present research on DWELL-QDIPs, the arts of fabrication of QDs and QWIPs are combined with a view toward overcoming the deficiencies of prior QDIPs. The longer-term goal is to develop focal-plane arrays of radiationhard, highly uniform arrays of QDIPs that would exhibit high performance at wavelengths from 8 to 15 m when operated at temperatures between 150 and 200 K. Increasing quantum efficiency is the key to the development of competitive QDIP-based FPAs. Quantum efficiency can be increased by increasing the density of QDs and by enhancing infrared absorption in QD-containing material. QDIPs demonstrated thus far have consisted, variously, of InAs islands on GaAs or InAs islands in InGaAs/GaAs wells. These QDIPs have exhibited low quantum efficiencies because the numbers of QD layers (and, hence, the areal densities of QDs) have been small typically five layers in each QDIP. The number of QD layers in such a device must be thus limited to prevent the aggregation of strain in the InAs/InGaAs/GaAs non-lattice- matched material system. The approach being followed in the DWELL-QDIP research is to embed In- GaAs QDs in GaAs/AlGaAs multi-quantum- well (MQW) structures (see figure). This material system can accommodate a large number of QD layers without excessive lattice-mismatch strain and the associated degradation of photodetection properties. Hence, this material system is expected to enable achievement of greater densities of QDs and correspondingly greater quantum efficiencies. The host GaAs/AlGaAs MQW structures are highly compatible with mature fabrication processes that are now used routinely in making QWIP FPAs. The hybrid InGaAs-dot/GaAs/AlGaAs-well system also offers design advantages in that the effects of variability of dot size can be partly compensated by engineering quantum-well sizes, which can be controlled precisely.

Gunapala, Sarath↗
DOE OSTI2022

Nitrogen plasma passivated niobium resonators for superconducting quantum circuits

Microwave loss in niobium metallic structures used for superconducting quantum circuits is limited by a native surface oxide layer formed over a timescale of minutes when exposed to an ambient environment. Here, in this work, we show that nitrogen plasma treatment forms a niobium nitride layer at the metal–air interface, which prevents such oxidation. X-ray photoelectron spectroscopy confirms the doping of nitrogen more than 5 nm into the surface and a suppressed oxygen presence. This passivation remains stable after aging for 15 days in an ambient environment. Cryogenic microwave characterization shows an average filling-factor-adjusted two-level-system loss tangent Fδ TLS of (2.9±0.5)·10 –7 for resonators with a 3 μm center strip and (1.0±0.3)·10 –7 for a 20 μm center strip, exceeding the performance of unpassivated samples by a factor of four.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗