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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Engineered thermalization and cooling of quantum many-body systems

We develop a scheme for engineering genuine thermal states in analog quantum simulation platforms by coupling local degrees of freedom to driven, dissipative ancilla pseudospins. We demonstrate the scheme in a many-body quantum spin lattice simulation setting. A Born-Markov master equation describing the dynamics of the many-body system is developed, and we show that if the ancilla energies are periodically modulated, with a carefully chosen hierarchy of timescales, one can effectively thermalize the many-body system. Through analysis of the time-dependent dynamical generator, we determine the conditions under which the true thermal state is an approximate dynamical fixed point for general system Hamiltonians. Finally, we evaluate the thermalization protocol through numerical simulation and discuss prospects for implementation on current quantum simulation hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Landau–Zener Transition Enhanced Quantum Sensing in Spin Defects of Hexagonal Boron Nitride

Negatively charged boron vacancies (V $^{–}_{B}$ ) in hexagonal boron nitride (hBN) comprise a promising quantum sensing platform, optically addressable at room temperature and transferable onto samples. However, broad hyperfine-split spin transitions of the ensemble pose challenges for quantum sensing with conventional resonant excitation due to limited spectral coverage. While V $^{–}_{B}$ in isotopically enriched hBN using 10 B and 15 N isotopes (h 10 B 15 N) exhibits sharper spectral features, significant inhomogeneous broadening persists. We show that, implemented via frequency modulation on an FPGA, a frequency-ramped microwave pulse achieves around 4-fold greater |0⟩→|−1⟩ spin-state population transfer and thus contrast than resonant microwave excitation and thus 16-fold shorter measurement time for spin relaxation-based quantum sensing. Quantum dynamics simulations reveal that an effective two-state Landau–Zener model captures the complex relationship between population inversion and pulse length with relaxations incorporated. Our approach is robust and valuable for quantum relaxometry with spin defects in hBN, especially in noisy environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Fluctuating charge-density-wave correlations in the three-band Hubbard model

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

42 ENGINEERING↗
DOE OSTI2025

Lifting Triplet Degeneracy Through Organic‐Cation Driven Structural Perturbation to Modulate Luminescence of Sb 3+ ‐Doped Double Perovskite

The spin-orbit coupling (SOC) and the Jahn-Teller effect (JTE) alter the orbital degeneracy in materials, leading to unique optical, electronic, and magnetic properties essential in spintronics, quantum computing, and light-emitting diodes (LEDs). Here, the study employs luminescent p-xylylenediammonium (PXA) instead of Cs+ in Cs2NaInCl6 to yield 2D Sb3+-doped (PXA)2NaInCl8 double perovskite and demonstrates a non-degenerate triplet state resulting from enhanced JTE in the strong SOC regime, featuring distinct emission centers. Consequently, a broadband emission from both PXA and [SbCl6]3− spans the entire spectrum (350–750 nm), representing a rare single-source multi-emissive 2D perovskite. With in-depth comparative structural, temperature-dependent photo-physical, and theoretical studies, it is elucidated that the synergistic effect of SOC and JTE on the Eg and T2g lattice modes modulate the electronic structure of [SbCl6]3− by splitting the doubly degenerate E levels of 3 T$^{*}_{1u}$ into non-degenerate states. The physical model, supported by theoretical studies, explains the energy level splitting required to realize two kinds of radiative minima in the relaxed excited state.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Compensation of residual amplitude modulation fluctuations in an optoelectronic system for laser radiation frequency stabilisation

Fluctuations of residual amplitude modulation in a scheme of laser frequency stabilisation by a Fabry – Perot cavity reduce the frequency stability of the laser systems intended for interrogating clock transitions of atoms and ions. The dependences of the residual amplitude modulation on a temperature of the waveguide-based electro-optical modulator used for modulating the radiation phase and on polarisation of the radiation are measured. The parameters are found, at which the influence of the residual amplitude modulation on the frequency stability is minimal. A system for active compensation is created, which reduces the contribution of fluctuations of residual amplitude modulation to the instability down to 2.1 × 10{sup −16}, which makes it possible to reach the thermal noise limit of a silicon cryogenic cavity. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Building a controlled-NOT gate between polarization and frequency

By harnessing multiple degrees of freedom (DoFs) within a single photon, controlled quantum unitaries, such as the two-qubit controlled-NOT ( cnot ) gate, play a pivotal role in advancing quantum communication protocols such as dense coding and entanglement distillation. In this work, we devise and realize a cnot operation between polarization and frequency DoFs by exploiting directionally dependent electro-optic phase modulation within a fiber Sagnac loop. Alongside computational basis measurements, we validate the effectiveness of this operation through the synthesis of all four Bell states in a single photon, all with fidelities greater than 98%. This demonstration opens new avenues for manipulating hyperentanglement across these two crucial DoFs, marking a foundational step toward leveraging polarization-frequency resources in fiber networks for future quantum applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ultrafast infrared nano-imaging of far-from-equilibrium carrier and vibrational dynamics

Ultrafast infrared nano-imaging has demonstrated access to ultrafast carrier dynamics on the nanoscale in semiconductor, correlated-electron, or polaritonic materials. However, mostly limited to short-lived transient states, the contrast obtained has remained insufficient to probe important long-lived excitations, which arise from many-body interactions induced by strong perturbation among carriers, lattice phonons, or molecular vibrations. Here, we demonstrate ultrafast infrared nano-imaging based on excitation modulation and sideband detection to characterize electron and vibration dynamics with nano- to micro-second lifetimes. As an exemplary application to quantum materials, in phase-resolved ultrafast nano-imaging of the photoinduced insulator-to-metal transition in vanadium dioxide, a distinct transient nano-domain behavior is quantified. In another application to lead halide perovskites, transient vibrational nano-FTIR spatially resolves the excited-state polaron-cation coupling underlying the photovoltaic response. These examples show how heterodyne pump-probe nano-spectroscopy with low-repetition excitation extends ultrafast infrared nano-imaging to probe elementary processes in quantum and molecular materials in space and time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗
NASA NTRS1991

Lateral modes of broad area semiconductor lasers - Theory and experiment

Calculations of the lateral modes of an ideal broad area laser, including the nonlinear interaction between the carriers and the optical field, are made. The results include periodically modulated near fields and single- and double-lobed far fields similar to those previously measured. The unsaturable losses are higher and quantum efficiencies are lower than those determined from plane-wave approximations. Broad area InGaAs-GaAlAs-GaAs quantum-well lasers were fabricated and measured and found to closely agree with the theory in near, far, and spectrally resolved near fields. An occultation experiment on the far field confirms previously predicted unstable resonatorlike modes with V-shaped fronts.

Lang, Robert J.↗
NASA NTRS1991

Direct solar pumping of semiconductor lasers: A feasibility study

The primary goals of the feasibility study are the following: (1) to provide a preliminary assessment of the feasibility of pumping semiconductor lasers in space directly focused sunlight; and (2) to identify semiconductor laser structures expected to operate at the lowest possible focusing intensities. It should be emphasized that the structures under consideration would provide direct optical-to-optical conversion of sunlight into laser light in a single crystal, in contrast to a configuration consisting of a solar cell or battery electrically pumping a current injection laser. With external modulation, such lasers may prove to be efficient sources for intersatellite communications. We proposed to develop a theoretical model of semiconductor quantum-well lasers photopumped by a broadband source, test it against existing experimental data where possible, and apply it to estimating solar pumping requirements and identifying optimum structures for operation for operation at low pump intensities. This report outlines our progress toward these goals. Discussion of several technical details are left to the attached summary abstract.

Anderson, Neal G.↗
NASA NTRS1992

Direct solar pumping of semiconductor lasers: A feasibility study

This report describes results of NASA Grant NAG-1-1148, entitled Direct Solar Pumping of Semiconductor Lasers: A Feasibility Study. The goals of this study were to provide a preliminary assessment of the feasibility of pumping semiconductor lasers in space with directly focused sunlight and to identify semiconductor laser structures expected to operate at the lowest possible focusing intensities. It should be emphasized that the structures under consideration would provide direct optical-to-optical conversion of sunlight into laser light in a single crystal, in contrast to a configuration consisting of a solar cell or storage battery electrically pumping a current injection laser. With external modulation, such lasers could perhaps be efficient sources for intersatellite communications. We proposed specifically to develop a theoretical model of semiconductor quantum-well lasers photopumped by a broadband source, test it against existing experimental data where possible, and apply it to estimating solar pumping requirements and identifying optimum structures for operation at low pump intensities. These tasks have been accomplished, as described in this report of our completed project. The report is organized as follows: Some general considerations relevant to the solar-pumped semiconductor laser problem are discussed in Section 2, and the types of structures chosen for specific investigation are described. The details of the laser model we developed for this work are then outlined in Section 3. In Section 4, results of our study are presented, including designs for optimum lattice-matched and strained-layer solar-pumped quantum-well lasers and threshold pumping estimates for these structures. It was hoped at the outset of this work that structures could be identified which could be expected to operate continuously at solar photoexcitation intensities of several thousand suns, and this indeed turned out to be the case as described in this section. Our project is summarized in Section 5, and information on publications resulting from this work is provided in Section 6.

Anderson, Neal G.↗
DOE OSTI2022

Computer-aided quantization and numerical analysis of superconducting circuits

The development of new superconducting circuits and the improvement of existing ones rely on the accurate modeling of spectral properties which are key to achieving the needed advances in qubit performance. Systematic circuit analysis at the lumped-element level, starting from a circuit network and culminating in a Hamiltonian appropriately describing the quantum properties of the circuit, is a well-established procedure, yet cumbersome to carry out manually for larger circuits. We present work utilizing symbolic computer algebra and numerical diagonalization routines versatile enough to tackle a variety of circuits. Results from this work are accessible through a newly released module of the scqubits package.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spin-energy entanglement of a time-focused neutron

Intraparticle entanglement of individual particles such as neutrons could enable another class of scattering probes that are sensitive to entanglement in quantum systems and materials. Here, in this work, we present experimental results demonstrating quantum contextuality as a result of entanglement between the spin and energy modes (i.e., degrees of freedom) of single neutrons in a beam using a pair of resonant radio-frequency neutron spin flippers in the modulated intensity with zero effort configuration. We verified the mode entanglement by measuring a Clauser-Horne-Shimony-Holt contextuality witness S defined in the spin and energy subsystems, observing a clear breach of the classical bound of |S| ≤ 2, obtaining S = 2.40 ± 0.02. These entangled beams could enable alternative approaches for directly probing dynamics and entanglement in quantum materials whose low-energy excitation scales match those of the incident entangled neutron.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Leafweb: Leaf Gas Exchange and Pulse-Amplitude Modulated Fluorometry for C4 Species, June 2026 Release

This dataset contains leaf gas exchange and Pulse-Amplitude Modulated (PAM) fluorometry for 98 C4 species. The C4 photosynthetic pathway employs specialized CO2 concentration mechanisms and Kranz anatomy to enrich CO2 concentration around Rubisco, the enzyme that catalyzes carbon fixation in the Calvin-Benson cycle to suppress photorespiration and increase the use efficiencies of light, nitrogen, and water as compared to the C3 photosynthetic pathways. Large-scale C4 photosynthetic datasets are relatively scarce, which has affected C4 photosynthesis research. To improve C4 photosynthetic data availability, Leafweb organized an effort to systematically collect, compile, standardize, and organize measurements of leaf gas exchange and/or Pulse-Amplitude Modulated (PAM) fluorometry of C4 species. This derived a C4 photosynthetic dataset containing measurements made by independent researchers in multiple countries in various environments (field, garden, or greenhouse). It covers three biochemical subtypes – the nicotinamide adenine dinucleotide phosphate-malic enzyme (NADP-ME), nicotinamide adenine dinucleotide-malic enzyme (NAD-ME), and phosphoenolpyruvate carboxykinase (PEP-CK) subtypes. This dataset is useful for using Artificial Intelligence / Machine Learning and mechanistic models to study C4 photosynthesis and compare across different biochemical subtypes. This dataset contains 3 compressed (*.zip) folders containing 1,892 data files in comma-separate values (*.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma-separate values (*.csv) format and a user guide in PDF (*.pdf) format.

Zhou, Haoran [Tianjin University, China]↗
DOE OSTI2020

Accurate Efficiency Measurements for Emerging PV: A Comparison of NREL's Steady-State Performance Calibration Protocol Between Conventional and Emerging PV Technologies

Emerging PV technologies (e.g. Perovskite, and Quantum Dot) are commonly known to possess challenges for accurate performance measurement under the existing IEC 60904 series of standards, which were developed for conventional Si solar cells. Potential performance artifacts depending on scan rates and directions and light bias exposure history are often seen in those emerging solar cells. To avoid these artifacts and provide an unbiased and reliable efficiency measurement, NREL's Cell and Module Performance (CMP) Group has developed a steady-state performance calibration protocol - the asymptotic P MAX method. In this paper, we applied this procedure to four PV cell technologies, Si, CIGS, perovskite, and Quantum Dot (QD), and compared their performance variations between the transient and the steady-state conditions. By comparison, we found that the performance parameters ( i.e. V OC , I SC , FF, ..eta..) measured between fast I-V scans (and the asymptotic method (steady-state) change significantly for perovskite and QD cells. These changes do not happen for Si and CIGS cells. Furthermore, the statistical performance analysis on nearly 100 emerging cells received globally (including OPV, Perovskite, and QD) shows that over 70 % of the fast I-V scans have a relative performance deviation larger than 1% compared to those determined using the asymptotic P MAX scan. Given the complex dynamic behavior observed in emerging PV devices, the CMP group at NREL thus only certifies their steady steady-state performance using the Asymptotic P MAX method. We highly recommend similar steady-state performance calibration protocol for all researchers in emerging PV because accuracy in reported efficiencies is critical to the long-term success of those promising new PV technologies.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2021

Outdoor performance of a tandem InGaP/Si photovoltaic luminescent solar concentrator

Here, we report the design, fabrication and outdoor characterization of a tandem luminescent solar concentrator/Si multi-junction photovoltaic module. Our tandem LSC/Si device consists of an InGaP LSC functioning as a top cell and a passivated contact Si bottom cell. The LSC comprises of an InGaP microcell array coupled to a polymer waveguide, loaded with CdSe/CdS core-shell quantum dot luminophores. The light trapping efficiency of the LSC waveguide is enhanced by encapsulation with photoluminescence trapping mirrors consisting of dielectric multilayer thin films. We demonstrate the performance of the LSC/Si device through a series of outdoor tests under various irradiance conditions conducted at the National Renewable Energy Laboratory. We report the first outdoor testing data of an LSC/Si tandem module, displaying maintained performance across varied diffusivity conditions for the LSC component. Finally, we model the tandem module performance using a ray optic simulation-based multiphysics model and forecast a pathway for high efficiency tandem LSC/Si module performance.

14 SOLAR ENERGY↗
DOE OSTI2020

Broadband fibre-pigtailed acousto-optic frequency shifter

A two-crystal fibre-pigtailed acousto-optic frequency shifter has been developed and investigated. An optimal configuration of acousto-optic cells is chosen. A two-crystal acousto-optic frequency shifter of 785-nm laser radiation in the range from 156 to 196 MHz, with single-mode polarisation maintaining fibres at the input and output, is described. Some recommendations are given how to improve the shifter transmission coefficient and increase the frequency shift range. (acousto-optic modulation of light)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Entangled Photon Correlations Allow a Continuous-Wave Laser Diode to Measure Single-Photon, Time-Resolved Fluorescence

Fluorescence lifetime experiments are a standard approach for measuring excited state dynamics and local environment effects. Here, we show that entangled photon pairs produced from a continuous-wave (CW) laser diode can replicate pulsed laser experiments without phase modulation. As a proof of principle, picosecond fluorescence lifetimes of indocyanine green are measured in multiple environments. Here, the use of entangled photons has three unique advantages. First, low power CW laser diodes and entangled photon source design lead to straightforward on-chip integration for a direct path to distributable fluorescence lifetime measurements. Second, the entangled pair wavelength is easily tuned by temperature or electric field, allowing a single source to cover octave bandwidths. Third, femtosecond temporal resolutions can be reached without requiring major advances in source technology or external phase modulation. Entangled photons could therefore provide increased accessibility to time-resolved fluorescence while also opening new scientific avenues in photosensitive and inherently quantum systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗