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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Bi-material strip based temperature sensor design and optimization through thermo-mechanical multi-physics modeling

With the capability of additive manufacturing, complex structures are easily fabricated to achieve various design purposes. In this work, a bi-material strip temperature sensor with complex periodic pattern design is purposed and investigated through both the analytical modeling and multi-physics finite element analysis. Three design patterns are considered: standard, E-shape and S-shape. In the standard solid strip design, the curvature of the bi-material strip under temperature variation is in a linear relationship with the coefficient of thermal expansion (CTE) difference, but in a reciprocal relationship with the strip thickness. The curvature of the bi-material strip depends on the Young’s modulus ratio and layer thickness ratio of the two materials, but is independent of the magnitude of the materials’ Young’s modulus. Based on analytical derivation and numerical validation, the optimized design parameters can be provided. Compared to S-shape pattern design, E-shape pattern design can significantly increase the temperature sensitivity of the bi-material strip. An analytical prediction of the E-shape pattern’s temperature sensitivity is introduced and discussed. This work proves the concept that new design space becomes available with the capability of additive manufacturing, and provides the general design guideline for a bi-material strip based temperature sensor with possible design patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Ultimate precision limit of noise sensing and dark matter search

Abstract The nature of dark matter is unknown and calls for a systematical search. For axion dark matter, such a search relies on finding feeble random noise arising from the weak coupling between dark matter and microwave haloscopes. We model such process as a quantum channel and derive the fundamental precision limit of noise sensing. An entanglement-assisted strategy based on two-mode squeezed vacuum is thereby demonstrated optimal, while the optimality of a single-mode squeezed vacuum is found limited to the lossless case. We propose a “nulling” measurement (squeezing and photon counting) to achieve the optimal performances. In terms of the scan rate, even with 20-decibel of strength, single-mode squeezing still underperforms the vacuum limit which is achieved by photon counting on vacuum input; while the two-mode squeezed vacuum provides large and close-to-optimum advantage over the vacuum limit, thus more exotic quantum resources are no longer required. Our results highlight the necessity of entanglement assistance and microwave photon counting in dark matter search.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Highly excited electron cyclotron for QCD axion and dark-photon detection

We propose using highly excited cyclotron states of a trapped electron to detect meV axion and dark-photon dark matter, marking a significant improvement over our previous proposal and demonstration [One-electron quantum cyclotron as a milli-ev dark-photon detector, .]. When the axion mass matches the cyclotron frequency ω c , the cyclotron state is resonantly excited, with a transition probability proportional to its initial quantum number, n c . The sensitivity is enhanced by taking n c ∼ 10 6 ( 0.1 meV ω c ) 2 . By optimizing key experimental parameters, we minimize the required averaging time for cyclotron detection to t ave ∼ 10 − 6 s, permitting detection of such a highly excited state before its decay. An open–end-cap trap design enables the external photon signal to be directed into the trap, rendering our background-free detector compatible with large focusing cavities, such as the BREAD proposal, while capitalizing on their strong magnetic fields. Furthermore, the axion conversion rate can be coherently enhanced by incorporating layers of dielectrics with alternating refractive indices within the cavity. Collectively, these optimizations enable us to probe the QCD axion parameter space from 0.1 to 2.3 meV (25–560 GHz), covering a substantial portion of the predicted postinflationary QCD axion mass range. This sensitivity corresponds to probing the kinetic mixing parameter of the dark photon down to ε ≈ 2 × 10 − 16 . Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Mechanistic Understanding and Rational Design of Quantum Dot/Mediator Interfaces for Efficient Photon Upconversion

The semiconductor-nanocrystal-sensitized, three-component upconversion system has made great strides over the past 5 years. The three components (i.e., triplet photosensitizer, mediator, and emitter) each play critical roles in determining the input and output photon energy and overall quantum efficiency (QE). The nanocrystal photosensitizer converts the absorbed photon into singlet excitons and then triplet excitons via intersystem crossing. The mediator accepts the triplet exciton via either direct Dexter-type triplet energy transfer (TET) or sequential charge transfer (CT) while extending the exciton lifetime. Through a second triplet energy-transfer step from the mediator to the emitter, the latter is populated in its lowest excited triplet state. Triplet–triplet annihilation (TTA) between two triplet emitters generates the emitter in its bright singlet state, which then emits the upconverted photon. Quantum dots (QD) have a tunable band gap, large extinction coefficient, and small singlet–triplet energy losses compared to metal–ligand charge-transfer complexes. This high triplet exciton yield makes QDs good candidates for photosensitizers. In terms of driving triplet energy transfer, the triplet energy of the mediator should be slightly lower than the triplet exciton energy of the QD sensitizer for a downhill energy landscape with minimal energy loss. The same energy cascade is also required for the transfer from the mediator to the emitter. Lastly, the triplet energy of the emitter must be slightly larger than one-half of its singlet energy to ensure that TTA is exothermic. Optimization of the sensitizer, mediator, and emitter will lead to an increase in the anti-Stokes shift and the total quantum efficiency. Evaluating each individual step’s efficiency and kinetics is necessary for the understanding of the limiting factors in existing systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Learning Many-Body Hamiltonians with Heisenberg-Limited Scaling

Learning a many-body Hamiltonian from its dynamics is a fundamental problem in physics. Here, in this Letter, we propose the first algorithm to achieve the Heisenberg limit for learning an interacting N-qubit local Hamiltonian. After a total evolution time of $\mathscr{O}$⁡(ε –1 ), the proposed algorithm can efficiently estimate any parameter in the N-qubit Hamiltonian to ε error with high probability. Our algorithm uses ideas from quantum simulation to decouple the unknown N-qubit Hamiltonian H into noninteracting patches and learns H using a quantum-enhanced divide-and-conquer approach. The proposed algorithm is robust against state preparation and measurement error, does not require eigenstates or thermal states, and only uses polylog⁡(ε –1 ) experiments. In contrast, the best existing algorithms require $\mathscr{O}$⁡⁡(ε –2 ) experiments and total evolution time. We prove a matching lower bound to establish the asymptotic optimality of our algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Design of semiconductor surface pits for fabrication of regular arrays of quantum dots and nanorings

We report a systematic computational study on the formation of complex nanostructures consisting of quantum dots and nanorings on surfaces of coherently strained thin films grown epitaxially on pit-patterned substrates. The analysis is based on self-consistent dynamical simulations according to a film surface evolution model that has been validated experimentally by comparison of its predictions with experimental observations on Ge films grown on Si pit-patterned substrates and is supported by linear stability theory that explains the film surface nanopattern formation as the outcome of a Stranski-Krastanow instability. Emphasis is placed on the design of conical pit patterns and the effects on the resulting film surface nanopattern of varying geometrical design parameters including film thickness, pit-pattern period, pit depth, pit opening diameter, and pit wall inclination. We demonstrate that varying the pit opening diameter and the pit wall slope leads to formation of complex nanostructures inside the pits of a regular pit pattern on the film surface, which include quantum dots, as well as single nanorings and multiple concentric nanorings that may or may not surround a central quantum dot inside each pit. Our simulation predictions demonstrate that the ordered nanostructure patterns forming on the film surface can be controlled precisely by tuning the geometrical parameters of the pits on the pit-patterned substrate. Our findings have important implications for designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1986

Low-background InSb array development

Photovoltaic indium antimonide (PV InSb) detector technology has matured over the past several years to enable a wide variety of applications to use this high-performance detector material to advantage. The operating conditions for most of the applications to date for back-side illuminated PV InSb arrays have encompassed focal plane temperatures ranging from 40 to approximately 95 K, with the majority in the narrower range between 60 and 80 K. Background flux conditions have ranged from 10 to the 10th power ph/sq cm/sec to 10 to the 16th power ph/sq cm/sec, most typically between 10 to the 12th power and 10 to the 14th power ph/sq cm/sec. Appropriately, the array parameters were optimized for maximum performance over these temperature and background ranges. The key parameters which were peaked in this process were the resistance-area product of the detectors and their quantum efficiency. The Space Infrared Telescope Facility (SIRTF) Infrared Array Camera requirements, however, present very low temperature and background operating conditions, plus the need for very high signal to noise ratios. Preliminary analysis indicates that back-side illuminated PV InSb arrays can be optimized for operation under these conditions, and some performance projections will be presented.

Thom, R. D.↗
DOE OSTI2026

Constant Overhead Entanglement Distillation via Scrambling

High-fidelity quantum entanglement enables key quantum networking capabilities such as secure communication and distributed quantum computing, but long-distance entanglement distribution is limited by noise and loss. Entanglement distillation protocols address this problem by extracting high-fidelity Bell pairs from multiple noisy ones. The primary objective is minimizing the resource overhead: the number of noisy input pairs needed to distill each high-fidelity output pair. While protocols achieving optimal overhead are known in theory, they often require complex decoding operations that make practical implementation challenging. We circumvent this challenge by introducing protocols that use quantum scrambling—the spreading of quantum information under chaotic dynamics—through random Clifford operations. Based on this scrambling mechanism, our protocol maintains asymptotically constant overhead, independent of the desired output error rate $\bar{𝜖}$ , and can be implemented with shallow quantum circuits of depth 𝑂⁡(poly log log⁡ $\bar{𝜖}$ −1 ) and memory 𝑂⁡(poly log⁡ $\bar{𝜖}$ −1 ). Our protocol remains effective even with noisy quantum gates. By incorporating error correction, our protocol achieves state-of-the-art performance: starting with pairs of 10% initial infidelity, we require only seven noisy inputs per output pair to distill a single Bell pair with infidelity $\bar{𝜖}$ =10 −12 , substantially outperforming existing schemes. We demonstrate the utility of our protocols for quantum repeater networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Estimating time in quantum chaotic systems and black holes

We characterize new universal features of the dynamics of chaotic quantum many-body systems, by considering a hypothetical task of "time estimation". Most macroscopic observables in a chaotic system equilibrate to nearly constant late-time values. Intuitively, it should become increasingly difficult to estimate the precise value of time by making measurements on the state. We use a quantity called the Fisher information from quantum metrology to quantify the minimum uncertainty in estimating time. Due to unitarity, the uncertainty in the time estimate does not grow with time if we have access to optimal measurements on the full system. Restricting the measurements to act on a small subsystem or to have low computational complexity leads to results expected from equilibration, where the time uncertainty becomes large at late times. With optimal measurements on a subsystem larger than half of the system, we regain the ability to estimate the time very precisely, even at late times. Hawking's calculation for the reduced density matrix of the black hole radiation in semiclassical gravity contradicts our general predictions for unitary quantum chaotic systems. Hawking's state always has a large uncertainty for attempts to estimate the time using the radiation, whereas our general results imply that the uncertainty should become small after the Page time. This gives a new version of the black hole information loss paradox in terms of the time estimation task. By restricting to simple measurements on the radiation, the time uncertainty becomes large. This indicates from a new perspective that the observations of computationally bounded agents are consistent with the semiclassical effective description of gravity.

Black holes↗
DOE OSTI2021

Variational Monte Carlo Calculations of A ≤ 4 Nuclei with an Artificial Neural-Network Correlator Ansatz

Here, the complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where nonperturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to approximate quantum many-body states in condensed matter and chemistry problems. In this work we introduce a neural-network quantum state ansatz to model the ground-state wave function of light nuclei, and approximately solve the nuclear many-body Schrodinger equation. Using efficient stochastic sampling and optimization schemes, our approach extends pioneering applications of ANNs in the field, which present exponentially scaling algorithmic complexity. We compute the binding energies and point-nucleon densities of A ≤ 4 nuclei as emerging from a leading-order pionless effective field theory Hamiltonian. We successfully benchmark the ANN wave function against more conventional parametrizations based on two- and three-body Jastrow functions, and virtually exact Green's function Monte Carlo results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Comparative DFT Computational Studies with Experimental Investigations for Novel Synthesized Fluorescent Pyrazoline Derivatives

A novel series of pyrazoline derivatives were synthesized and their spectral properties were characterized via FT-IR, {sup 1}H, and {sup 13}C NMR. The electronic transitions and fluorescence properties were tracked via UV-Vis and emission spectrometry. The density functional theory (DFT) calculations have been also computed to get spot onto the geometry, electronic transitions and spectroscopic properties theoretically that has been compared with the encountered experimental ones. Moreover, the dipole moment, optimized energy, HOMO - LUMO energies and band gaps were calculated for novel candidates pyrazoline derivatives with highly fluorescence quantum yield.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Large-Time Behavior of Solutions to Vlasov-Poisson-Fokker-Planck Equations: From Evanescent Collisions to Diffusive Limit

The present contribution investigates the dynamics generated by the two-dimensional Vlasov-Poisson-Fokker-Planck equation for charged particles in a steady inhomogeneous background of opposite charges. We provide global in time estimates that are uniform with respect to initial data taken in a bounded set of a weighted L{sup 2} space, and where dependencies on the mean-free path τ and the Debye length δ are made explicit. In our analysis the mean free path covers the full range of possible values: from the regime of evanescent collisions τ→∞ to the strongly collisional regime τ→0. As a counterpart, the largeness of the Debye length, that enforces a weakly nonlinear regime, is used to close our nonlinear estimates. Accordingly we pay a special attention to relax as much as possible the τ-dependent constraint on δ ensuring exponential decay with explicit τ-dependent rates towards the stationary solution. In the strongly collisional limit τ→0, we also examine all possible asymptotic regimes selected by a choice of observation time scale. Here also, our emphasis is on strong convergence, uniformity with respect to time and to initial data in bounded sets of a L{sup 2} space. Our proofs rely on a detailed study of the nonlinear elliptic equation defining stationary solutions and a careful tracking and optimization of parameter dependencies of hypocoercive/hypoelliptic estimates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Recent advances in machine learning towards multiscale soft materials design

The multiscale design of soft materials requires an ensemble of computational techniques spanning quantum-chemistry to molecular dynamics to continuum modeling. The recent emergence of machine-learning (ML) and modern optimization algorithms has accelerated material property prediction, as well as stimulated the development of hybrid ML/molecular modeling methodologies capable of providing physical insights unobtainable from purely physics-based modeling and intuition. Such hybrid techniques also have important ramifications for the ML-enhanced interpretation of results from simulations and experiments alike. Leveraging ML techniques for the design of chemical or morphological structures based on a target property or functionality represents an exciting goal for the general area of soft materials, including polymers, liquid crystals, colloids, or biomolecules, to name a few representative classes of systems. Furthermore, we provide a perspective on recent work using ML techniques of relevance for the multiscale design of soft materials and outline potential future directions of interest to the soft materials community.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Efficiency-optimized relativistic plasma harmonics for extreme fields

Bright harmonic radiation from relativistically oscillating laser plasmas offers a direct route for generating extreme electromagnetic fields. Theory predicts that under optimized conditions, the plasma medium can support strong spatiotemporal compression of laser energy in a coherent harmonic focus (CHF), delivering intensity boosts many orders of magnitude greater than the incident driving laser pulse. Although diffraction-limited performance (spatial compression) and attosecond phase locking (temporal compression) have been demonstrated experimentally, efficient coupling of relativistically intense laser pulse energy into the emitted harmonic cone has not been realized so far. Here we demonstrate that this highly nonlinear interaction can be tailored to deliver the maximum conversion efficiencies predicted from simulations. By fine-tuning the temporal profile of the driving laser on sub-picosecond (<10 −12 s) timescales, energies >9 mJ between the 12th and 47th harmonics are observed. These results are in agreement with the theoretically expected efficiency dependence on harmonic order, verifying that optimal conditions have been achieved in the generation process. This is the important final element required to achieve the expected intensity boosts from a CHF in experiments. Although obtaining spatiotemporal compression and optimal efficiency simultaneously remains challenging, the path to realizing extreme optical field strengths approaching the critical field of quantum electrodynamics (the Schwinger limit at >10 16 V cm −1 or >10 29 W cm −2 ) is now open, permitting all-optical studies of the quantum vacuum and new frontiers for intense attosecond science.

High-harmonic generation↗
DOE OSTI2023

Ultrafast hole relaxation dynamics in quantum dots revealed by two-dimensional electronic spectroscopy

Elucidating the population dynamics of correlated electron-hole pairs (bound excitons) in semiconducting quantum dots (QDs) is key for developing our fundamental understanding of nanoscale photophysics as well as for the optimal design of devices, such as lasers. For decades, it was assumed that holes did not contribute to band edge bleach signals in QDs. Here, we employ two-dimensional electronic spectroscopy to monitor electron and hole dynamics in both CdSe and CdSe/CdS/ZnS QDs to probe electron and hole dynamics. Based on a combination of time and frequency resolution, we observe a previously unresolved bleaching signal in CdSe QDs on timescales faster than 30 fs due to hole cooling. Atomistic semiempirical pseudopotential calculations are used to rationalize the order of magnitude difference in the observed hole dynamics in CdSe and CdSe/CdS/ZnS QDs. This picture advances our understanding of QD excitonics past the prevailing continuum effective mass theories generally used to describe QD electronic structure and dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Excited-state structure of copper phenanthroline-based photosensitizers

Cu diimine complexes present a noble metal free alternative to classical Ru, Re, Ir and Pt based photosensitizers in solution photochemistry, photoelectrochemical or dye-sensitized solar cells. Optimization of these dyes requires understanding of factors governing the key photochemical properties: excited state lifetime and emission quantum yield. The involvement of exciplex formation in the deactivation of the photoexcited state is a key question. Here, we investigate the excited-state structure of [Cu(dmp) 2 ] + and [Cu(dsbtmp) 2 ] + (dmp = 2,9-dimethyl-1,10-phenanthroline, dsbtmp = 2,9-di-sec-butyl-3,4,7,8-tetramethyl-1,10-phenanthroline) using pump–probe X-ray absorption spectroscopy (XAS) and DFT. Features of XAS that distinguish flattened tetrahedral site and 5-coordinated geometry with an additional solvent near Cu(II) center are identified. Pump–probe XAS demonstrates that for both complexes the excited state is 4-coordinated. For [Cu(dmp) 2 ] + the exciplex is 0.24 eV higher in energy than the flattened triplet state, therefore it can be involved in deactivation pathways as a non-observable state that forms slower than it decays. For [Cu(dsbtmp) 2 ] + the excited-state structure is characterized by Cu–N distances of 1.98 and 2.07 Å and minor distortions, leading to a 3 orders of magnitude longer excited-state lifetime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Optimisation of a multi-disk cryogenic amplifier for a high-intensity, high-repetition-rate laser system

Holders of the active elements of a multi-disk multipass amplifier with a liquid-free closed cryogenic cooling cycle are modified. The equilibrium temperature of the active elements is experimentally investigated in relation to the power of diode pumping for the modified crystal holders. The dependence of the gain coefficient on the temperature of the active elements is measured. A small-signal gain of up to 1.2 is obtained in a single pass through the active element. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Optimisation of parameters of Raman laser pulse compression in a plasma for its implementation using the PEARL laser facility (IAP RAS)

We consider Raman compression of laser pulses in a plasma under the conditions of an experiment planned at the Institute of Applied Physics of the Russian Academy of Sciences on the PEARL laser facility. The analysis is based on the equations describing, among other things, the effect of plasma dispersion and relativistic nonlinearity, as well as the dynamics of the field near the plasma wave breaking threshold. It is shown that the main limiting factors are excessive frequency modulation of the pump pulse and a too low plasma density in which the plasma wave breaking can occur. To reduce the negative influence of these effects, we suggest using an intense and short (on the order of the plasma period) seed laser pulse. Numerical simulation shows the possibility of a hundredfold increase in the intensity of the compressed pulse in comparison with the intensity of the pump pulse at a length of uniform plasma of 2 cm. (paper)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗