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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Measurements of ϒ states production in 𝑝 + 𝑝 collisions at $\sqrt{s}$ = 500 GeV with STAR: Cross sections, ratios, and multiplicity dependence

We report measurements of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆) and ϒ⁡(3⁢𝑆) production in 𝑝 + 𝑝 collisions at $\sqrt{s}$ =500 GeV by the STAR experiment in year 2011, corresponding to an integrated luminosity ℒ int = 13 pb −1 . The results provide precise cross sections, transverse momentum (𝑝 T ) and rapidity (𝑦) spectra, as well as cross section ratios for 𝑝 T < 10 GeV/c and |𝑦| < 1. The dependence of the ϒ yield on charged particle multiplicity has also been measured, offering new insights into the mechanisms of quarkonium production. The data are compared to various theoretical models: the color evaporation model (CEM) accurately describes the ϒ⁡(1⁢𝑆) production, while the color glass condensate+nonrelativistic quantum chromodynamics (CGC+NRQCD) model overestimates the data, particularly at low 𝑝 T . Conversely, the color singlet model (CSM) underestimates the rapidity dependence. These discrepancies highlight the need for further development in understanding the production dynamics of heavy quarkonia in high-energy hadronic collisions. The trend in the multiplicity dependence is consistent with CGC/saturation and string percolation models or ϒ production happening in multiple parton interactions modeled by PYTHIA 8.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Study of the Scintillating Properties of Materials Based on Self- Assembling Quantum Dots Embedded into a Semiconductor Bulk

The goal of the project is to investigate scintillating properties of materials based on self-assembled InAs QDs embedded into GaAs bulk. According to theoretical predictions, such materials can have scintillating properties and low self-absorption. Compared to scintillators based on inorganic scintillating crystals, QD-based scintillators could have significantly higher light yield and shorter emission times. We intend to check the theoretical predictions experimentally, measure scintillation parameters and their dependence on the QD-based materials and learn how the properties could be optimized for practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Roadmap for Photonics with 2D Materials

Triggered by advances in atomic-layer exfoliation and growth techniques, along with the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or a few atomic layers, two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), and other van der Waals (vdW) crystals now constitute a broad research field expanding in multiple directions through the combination of layer stacking and twisting, nanofabrication, surface-science methods, and integration into nanostructured environments. Photonics encompasses a multidisciplinary subset of those directions, where 2D materials contribute remarkable nonlinearities, long-lived and ultraconfined polaritons, strong excitons, topological and chiral effects, susceptibility to external stimuli, accessibility, robustness, and a completely new range of photonic materials based on layer stacking, gating, and the formation of moiré patterns. These properties are being leveraged to develop applications in electro-optical modulation, light emission and detection, imaging and metasurfaces, integrated optics, sensing, and quantum physics across a broad spectral range extending from the far-infrared to the ultraviolet, as well as enabling hybridization with spin and momentum textures of electronic band structures and magnetic degrees of freedom. The rapid expansion of photonics with 2D materials as a dynamic research arena is yielding breakthroughs, which this Roadmap summarizes while identifying challenges and opportunities for future goals and how to meet them through a wide collection of topical sections prepared by leading practitioners.

2D materials↗
DOE OSTI2025

Design and Optimization of a Hybrid Design for Quantum Transduction

This study presents the mechanical design and analysis of a quantum electro-optical transducer engineered to operate at millikelvin temperatures within a dilution refrigerator. The transducer enables bidirectional microwave-optical frequency conversion through a hybrid architecture that integrates a superconducting radiofrequency (SRF) cavity with an electro-optic optical cavity. Among several design options investigated, the configuration offering the best thermal and mechanical performance was selected, yielding a robust solution with reduced sensitivity to fabrication tolerances, improved heat dissipation, as well as alignment precision. The design ensures uniform temperature distribution, enabling higher laser pump powers and, thus, increased conversion efficiency, while maintaining mechanical stresses safely below the material yield strength. Electromagnetic simulations further validate the design, demonstrating enhanced coupling between the optical and microwave modes, as well as a broader tuning range achieved with smaller tuner displacements.

quantum computing↗
DOE OSTI2024

Precision Computations in Strongly Coupled Conformal Field Theories (Final Technical Report)

Conformal Field Theories (CFTs) are quantum field theories that are invariant under the conformal symmetry group (which includes translations and rotations, but also local rescalings of spacetime). They are building blocks of general quantum field theories, and appear in many areas of physics, including statistical physics, condensed matter physics, particle physics, and quantum gravity. Because of their extra symmetries, the mathematical structure of CFTs is tightly constrained, and this leads to the idea of the ``conformal bootstrap," which is to use these mathematical structures to constrain, and in some cases determine, CFT observables. A new numerical implementation of the conformal bootstrap idea appeared in 2008 with the work of Rattazzi, Rychkov, Tonni, and Vichi. Their observation was that certain bootstrap constraints (conformal symmetry and unitarity) could be combined to yield a convex optimization problem that constraints CFT data. By solving this convex optimization problem on a computer, one could obtain bounds on observables like critical exponents and operator product expansion (OPE) coefficients. Over the course of this award, the PI has improved numerical bootstrap techniques by optimizing known algorithms and finding new ones for performing the required convex optimization computations. The PI has applied these techniques to compute high-precision observables in several important strongly-coupled systems. The PI has also explored both analytical and numerical bootstrap methods for constraining the space of low energy effective field theories of quantum gravity, and developed new analytical techniques for CFT and QFT more broadly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1986

The AXAF CCD imaging spectrometer

The AXAF CCD Imaging Spectrometer (ACIS) is currently being defined as a possible focal plane instrument to be flown on the Advanced X-ray Astrophysics Facility (AXAF). The imaging spectrometer consists of an array of charge coupled devices (CCD's) to be placed at the focus of the AXAF mirrors. The array will provide high angular resolution (0.5 arc seconds), moderate spectral resolution (150 eV) over the energy range 0.1 to 10 keV, temporal resolution down to 60 microseconds, and single photon quantum detection efficiencies of up to 90 percent. X-ray sensitivity for a point source exceeds 10 to the -15th ergs/sq cm sec for a 10 to the 5th sec exposure. When used in conjunction with the objective gratings, the array will yield wavelength resolution of up to 200.

Garmire, G. P.↗
NASA NTRS2006

The Effect of Non-equilibrium Kinetics on Oxygen Chemistry in the Interstellar Medium

It has been suggested that in photon-dominated regions, oxygen chemistry is initiated by the O+H2 yields OH+H reaction. The reaction has an energy barrier of about 0.4 eV with ground state reactants and it is slow at low temperatures. There is strong experimental evidence that vibrational excitation of the H2 molecule increases the reactivity significantly. We present extensive quantum calculations of cross sections and rate coefficients for the O+H2(v) reaction for v = 0 - 3 of the H2 molecule and show that the vibrational excitation of the molecule has a significant effect on reactivity, especially at low temperatures.

Naduvalath, Balakrishnan↗
NASA NTRS2006

Single-source precursors for ternary chalcopyrite materials, and methods of making and using the same

A single source precursor for depositing ternary I-III-VI.sub.2 chalcopyrite materials useful as semiconductors. The single source precursor has the I-III-VI.sub.2 stoichiometry built into a single precursor molecular structure which degrades on heating or pyrolysis to yield the desired I-III-VI.sub.2 ternary chalcopyrite. The single source precursors effectively degrade to yield the ternary chalcopyrite at low temperature, e.g. below 500.degree. C., and are useful to deposit thin film ternary chalcopyrite layers via a spray CVD technique. The ternary single source precursors according to the invention can be used to provide nanocrystallite structures useful as quantum dots. A method of making the ternary single source precursors is also provided.

Banger, Kulbinder K.↗
DOE OSTI2025

Entanglement, trace anomaly, and confinement in QCD

We formulate confinement in quantum chromodynamics (QCD) as an entropic surface phenomenon. Quark and gluon quantum information is localized on a transverse, entangling two-sphere of radius 𝑅 𝐸⁢𝐸 ; at this radius the QCD vacuum—partitioned by a hadron into interior and exterior regions—reaches its maximal entanglement entropy. Lattice-QCD determinations of the scalar (trace) gravitational form factors fix both 𝑅 𝐸⁢𝐸 and the transverse trace-anomaly density 𝜌 ℎ ⁡(𝑅 𝐸⁢𝐸 ), yielding a parameter-free slope 𝑐 ℎ = 8⁢𝜋 2 ⁢𝑅𝑆$^2_{𝐸⁢𝐸}$𝜌 ℎ ⁡(𝑅 𝐸⁢𝐸 ) and a mechanical entropy 𝑆 𝐸⁢𝐸 ⁡(𝑦) = 𝑐 ℎ ⁢𝑦 that grows linearly with rapidity 𝑦. The entropy gradient ∂ 𝑅 𝑆 𝐸⁢𝐸 changes sign at 𝑅 𝐸⁢𝐸 : it pushes colored degrees of freedom outward for 𝑟 <𝑅 𝐸⁢𝐸 and pulls them inward for 𝑟 >𝑅 𝐸⁢𝐸 , thereby localizing them on the codimension-2 entangling two-sphere Σ ⊥ = 𝑆$^2_{𝑅_{𝐸⁢𝐸}}$ (which, in the infinite-momentum frame (IMF), projects onto the transverse plane)—the “information wall.” This provides a high-energy (large-𝑦) entropic confinement diagnostic that complements—rather than replaces—Wilson’s area-law criterion, which probes long-distance dynamics near the rest frame (𝑦 → 0). Imposing unitarity on an entropic ansatz for the amplitude yields 𝜎⁡(𝑠) ∝ 𝑦 𝛿 . World data favor 𝛿 = 2 for elastic 𝑝⁡𝑝⁡($𝑝\bar{⁡𝑝}$) scattering and heavy-quark photoproduction, whereas 𝜙 photoproduction favors a softer 𝛿 = 0.387. All extracted cross sections remain well below the Froissart-Martin bound. These results provide a confinement criterion quantified directly from nonperturbative QCD inputs, unifying the trace anomaly, entanglement entropy, and high-energy scattering within a single quantitative framework.

Color confinement↗
DOE OSTI2025

Fermi-surface driven frustrations in charge ordered kagome metal LuNb 6 ⁢Sn 6

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-𝑇 𝑐 superconductors and topological semimetals. Recently, CDWs that possibly intertwine with superconductivity and magnetism are observed in various kagome metals. However, the nature of CDWs and the role of the Fermi-surface (FS) topology in these materials remain an unresolved challenge. In this paper, we reveal the formation of CDWs in the newly discovered kagome metal LuNb 6 ⁢Sn 6 . Here, we observe a ‘‘yield sign’’-like hollow triangular diffuse scattering pattern and nearly complete softening of a flat optical phonon band near 𝐐 𝐻 = (1/3,1/3,1/2). The scattering intensity of the diffuse scattering displays divergent behavior as decreasing temperature until 𝑇 CDW = 70 K, where a competing CDW at 𝑄 CDW = (1/3,1/3,1/3) emerges. Combined with scanning tunneling microscopy/spectroscopy and first-principles calculations, our observations support a Fermi-surface driven frustration that suppresses the leading CDW instability at 𝐐 𝐻 . This frustration is relieved by the emergence of a subleading CDW at 𝑄 CDW . These results provide insights into the interplay between the Fermi surface, strong electron-phonon coupling, and charge density wave formation in quantum materials.

Yang, F. Z. [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2024

Optimal Zeno Dragging for Quantum Control: A Shortcut to Zeno with Action-Based Scheduling Optimization

The quantum Zeno effect asserts that quantum measurements inhibit simultaneous unitary dynamics when the “collapse” events are sufficiently strong and frequent. This applies in the limit of strong continuous measurement or dissipation. It is possible to implement a dissipative control that is known as “Zeno dragging” by dynamically varying the monitored observable, and hence also the eigenstates, which are attractors under Zeno dynamics. This is similar to adiabatic processes, in that the Zeno-dragging fidelity is highest when the rate of eigenstate change is slow compared to the measurement rate. We demonstrate here two theoretical methods for using such dynamics to achieve control of quantum systems. The first, which we shall refer to as “shortcut to Zeno,” is analogous to the shortcuts to adiabaticity (counterdiabatic driving) that are frequently used to accelerate unitary adiabatic evolution. In the second approach, we apply the Chantasri-Dressel-Jordan stochastic action [PRA 88, 042110 (2013)], and demonstrate that the extremal-probability readout paths derived from this are well suited to setting up a Pontryagin-style optimization of the Zeno-dragging schedule. A fundamental contribution of the latter approach is to show that an action suitable for measurement-driven control optimization can be derived quite generally from statistical arguments. Implementing these methods on the Zeno dragging of a qubit, we find that both approaches yield the same solution, namely, that the optimal control is a unitary that matches the motion of the Zeno-monitored eigenstate. We then show that such a solution can be more robust than a unitary-only operation and we comment on solvable generalizations of our qubit example embedded in larger systems. These methods open up new pathways toward systematically developing dynamic control of Zeno subspaces to realize dissipatively stabilized quantum operations. Published by the American Physical Society 2024

Physics↗
NASA NTRS1972

Kinematic distributions for electron pair production by muons

Cross sections and kinematic distributions for the trident production process plus or negative muon plus charge yields plus or minus muon plus electron plus positron plus charge (with charge = dipion moment and Fe) are given for beam energies of 100 to 300 GeV at fixed (electron positron) masses from 5 to 15 GeV. This process is interesting as a test of quantum electrodynamics at high energies, and in particular as a test of the form of the photon propagator at large timelike (four-momentum) squared. For this purpose, it is desirable to impose kinematic cuts that favor those Bethe-Heitler graphs which contain a timelike photon propagator. It is found that there are substantial differences between the kinematic distributions for the full Bethe-Heitler matrix element and the distributions for the two timelike-photon graphs alone; these differences can be exploited in the selection of appropriate kinematic cuts.

Linsker, R.↗
NASA NTRS1990

Linear laser diode arrays for improvement in optical disk recording

The development of individually addressable laser diode arrays for multitrack magneto-optic recorders for space stations is discussed. Three multi-element channeled substrate planar (CSP) arrays with output power greater than 30 mW with linear light vs current characteristics and stable single mode spectra were delivered to NASA. These devices have been used to demonstrate for the first time the simultaneous recording of eight data tracks on a 14-inch magneto-optic erasable disk. The yield of these devices is low, mainly due to non-uniformities inherent to the LPE growth that was used to fabricate them. The authors have recently developed the inverted CSP, based on the much more uniform MOCVD growth techniques, and have made low threshold quantum well arrays requiring about three times less current than the CSP to deliver 30 mW CW in a single spatial mode. The inverted CSP is very promising for use in space flight recorder applications.

Alphonse, G. A.↗
NASA NTRS1988

Computed potential energy surfaces for chemical reactions

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

Walch, Stephen P.↗
DOE OSTI2025

Tunable reciprocal and nonreciprocal contributions to 1D Coulomb drag

Coulomb drag is a powerful tool to study interactions in coupled low-dimensional systems. Historically, Coulomb drag has been attributed to a frictional force arising from momentum transfer whose direction is dictated by the current flow. In the absence of electron-electron correlations, treating the Coulomb drag circuit as a rectifier of noise fluctuations yields similar conclusions about the reciprocal nature of Coulomb drag. In contrast, recent findings in one-dimensional systems have identified a nonreciprocal contribution to Coulomb drag that is independent of the current flow direction. In this work, we present Coulomb drag measurements between vertically coupled GaAs/AlGaAs quantum wires separated vertically by a hard barrier only 15 nm wide, where both reciprocal and nonreciprocal contributions to the drag signal are observed simultaneously, and whose relative magnitudes are temperature and gate tunable. Our study opens up the possibility of studying the physical mechanisms behind the onset of both Coulomb drag contributions simultaneously in a single device, ultimately leading to a better understanding of Luttinger liquids in multi-channel wires and paving the way for the creation of energy harvesting devices.

Coulomb Drag↗
DOE OSTI2025

Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have used strings, fingerprints, global features and simple molecular graphs that are inherently information-sparse representations. However, as the complexity of prediction tasks increases, the molecular representation needs to encode higher fidelity information. This work introduces a new approach to infusing quantum-chemical-rich information into molecular graphs via stereoelectronic effects, enhancing expressivity and interpretability. Learning to predict the stereoelectronics-infused representation with a tailored double graph neural network workflow enables its application to any downstream molecular machine learning task without expensive quantum-chemical calculations. We show that the explicit addition of stereoelectronic information substantially improves the performance of message-passing two-dimensional machine learning models for molecular property prediction. We show that the learned representations trained on small molecules can accurately extrapolate to much larger molecular structures, yielding chemical insight into orbital interactions for previously intractable systems, such as entire proteins, opening new avenues of molecular design. Finally, we have developed a web application (simg.cheme.cmu.edu) where users can rapidly explore stereoelectronic information for their own molecular systems.

Boiko, Daniil A↗
DOE OSTI2024

Design and Performance of an InAs Quantum Dot Scintillator with Integrated Photodetector

A new scintillation material composed of InAs quantum dots (QDs) hosted within a GaAs matrix was developed, and its performance with different types of radiation is evaluated. A methodology for designing an integrated photodetector (PD) with a low defect density and that is optically matched to the QD’s emission spectrum is introduced, utilizing an engineered epitaxial InAlGaAs metamorphic buffer layer. The photoluminescence (PL) collection efficiency of the integrated PD is examined using two-dimensional scanning laser excitation. The detector response to 5.5 MeV α-particles and 122 keV photons is presented. Yields of 13 electrons/keV for α-particles and 30–60 electrons/keV for photons were observed. The energy resolution of 12% observed with α-particles was mainly limited by noise- and geometry-related optical losses. The radiation hardness of an InAs QDs hosted within GaAs and a wider band gap AlGaAs ternary alloy was studied under a 1 MeV proton implantation up to a 10 14 cm –2 dose. The integrated PL responses were compared to evaluate PL quenching due to non-radiative defects. The QDs embedded in the AlGaAs demonstrated improved radiation hardness compared to QDs in the GaAs matrix and in the InGaAs quantum wells.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Analysis of Fourth-, Fifth-, and Infinite-Order Triple Excitations in Unitary Coupled Cluster Theory

Here, in this work, we introduce a perturbative correction to the unitary coupled cluster method with single and double excitations (UCCSD) that incorporates the effects of missing triple excitations through fifth-order in many-body perturbation theory (MBPT). Referred to as UCCSD[T-5], this method is benchmarked alongside the previously developed UCCSD[T] to lend insight into the behavior of perturbative triples corrections relative to UCCSDT, which inherently provides an infinite-order treatment of triple excitations, as well as full configuration interaction (FCI). Two key findings emerge from this analysis. First, UCCSD[T] consistently yields ground-state energies in closest agreement with FCI, outperforming both UCCSD[T-5] and UCCSDT. Second, UCCSD[T-5] largely emulates the behavior of UCCSDT, suggesting a close relationship between fifth- and infinite-order triple-excitation contributions. Given the growing interest in UCC ansätze for quantum computing and the limitations of current quantum hardware, these results highlight the potential of classically computed perturbative corrections within UCC theory to capture triple-excitation effects without the additional quantum resources required by the UCCSDT ansatz.

Windom, Zachary W. [Oak Ridge National Laboratory ↗