SEARCH · Search NASA

Results for “Quantum geometry”

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.

SourceResearch connectionFrom yearThrough year

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

At least 199 records · Page 11

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Universality in logarithmic temperature corrections to near-extremal rotating black hole thermodynamics in various dimensions

The low-temperature thermodynamics of near-extremal rotating black holes has recently been revisited to incorporate one-loop contributions that are dominant in this regime. We discuss these quantum corrections to the gravitational path integral for asymptotically Anti de-Sitter black holes in four and five dimensions. In four dimensions we explicitly consider Kerr-AdS 4 , Kerr-Newman-AdS 4 and the rotating black hole in $\mathcal{N}$ = 4 gauged supergravity with two scalars and two electric charges turned on. In five dimensions we explicitly address the asymptotically flat Myers-Perry black hole and the Kerr-AdS5 black hole. In every case we find that tensor modes contribute $\frac{3}{2}$logT Hawking to the low-temperature thermodynamics. We identify the root cause of this universality in two facts: (i) the universal presence of a SL(2, $\mathbb{R}$) subgroup of isometries in the near-horizon geometry and (ii) a set of cancellations in the Lichnerowicz operator. We show that these two conditions hold for near-extremal black holes in asymptotically flat and asymptotically AdS spacetimes of various dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Direct measurement of thermal Knudsen forces in rarefied gas environments

At micro- and nanoscales, momentum transfer between surfaces is influenced by various physical mechanisms, including quantum fluctuations, electromagnetic interactions, electric charges, and the dynamics of (rarefied) gases. Under non-isothermal conditions, rarefied gases give rise to thermal Knudsen forces whose magnitudes strongly depend on the gas species and surface characteristics. Knudsen forces are particularly relevant in nanotechnology, optical manipulation, and aerospace systems, where gas rarefaction occurs due to highly confined geometries, sub-micrometer length scales, and reduced particle densities. Despite their significance, predictive modeling of Knudsen forces is limited by a lack of comprehensive experimental data across diverse materials and surface morphologies. Here, in this work, we present a highly sensitive and adaptable measurement platform capable of directly quantifying Knudsen forces using a suspended, interchangeable micro-cantilever within controlled rarefied helium and nitrogen environments. The system integrates optical fiber interferometry to precisely capture out-of-plane displacements at sub-micrometer resolution, driven by Knudsen forces. From the empirical data, we derive a robust correlation linking the magnitudes of Knudsen forces to energy accommodation coefficients, offering deeper insights into the underlying gas–surface interaction mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗

DOE OSTI2025

Aspects of propagator sparsening in lattice QCD

In lattice field theory, field sparsening aims to replace quantum fields, or objects constructed from them, with approximations that preserve the appropriate symmetries and maintain many aspects of the physics that the fields determine. For example, an effective sparsening of a quark propagator provides an efficient map from a quark propagator on a fine lattice geometry to a quark propagator defined on a coarser geometry in order to reduce storage and computational costs of subsequent calculational stages while maintaining long-distance correlations and corresponding low-energy physical information. Previous studies have focused on decimating lattice sites or randomly sampling lattice sites to reduce the size of the propagator and subsequent costs of Wick contractions. Here, we extend the study of sparsening to incorporate covariant averaging of spatial sites and examine the effects on two-point and three-point correlation functions involving various hadrons. We find that sparsening is most effective in reproducing the unsparsened versions of these correlation functions when weighted covariant-averaging is sequentially applied many times.

Lattice QCD↗

DOE OSTI2025

Ab initio investigation of a hypersonic double cone experiment

This article presents a direct molecular simulation (DMS) of a reactive Mach 8.2 oxygen flow over a double cone geometry. The free stream conditions and article configuration generate a flow with thermal and chemical nonequilibrium, which are common attributes of hypersonic flight. This scenario was first studied experimentally at Calspan University of Buffalo Research Center’s test facility. DMS is a particle method that uses quantum mechanically derived interaction potentials to simulate molecular collisions within a flow field. Since these interaction potentials are the only modeling inputs used in the simulation, all flow features can solely be attributed to the ab initio potential energy surfaces. Hence, providing a comparison of a hypersonic ground test and numerical data anchored to quantum mechanics. The fundamental nature of DMS is leveraged to investigate molecular level mechanisms prevalent in the flow, and comparisons with lower fidelity simulations are presented to highlight the role of these first principles calculations as benchmark solutions.

Science & Technology - Other Topics↗

NASA NTRS2002

Theoretical Studies of Liquid He-4 Near the Superfluid Transition

We performed theoretical studies of liquid helium by applying state of the art simulation and finite-size scaling techniques. We calculated universal scaling functions for the specific heat and superfluid density for various confining geometries relevant for experiments such as the confined helium experiment and other ground based studies. We also studied microscopically how the substrate imposes a boundary condition on the superfluid order parameter as the superfluid film grows layer by layer. Using path-integral Monte Carlo, a quantum Monte Carlo simulation method, we investigated the rich phase diagram of helium monolayer, bilayer and multilayer on a substrate such as graphite. We find excellent agreement with the experimental results using no free parameters. Finally, we carried out preliminary calculations of transport coefficients such as the thermal conductivity for bulk or confined helium systems and of their scaling properties. All our studies provide theoretical support for various experimental studies in microgravity.

Manousakis, Efstratios↗

NASA NTRS2015

Results from the Wilkinson Microwave Anisotropy Probe

The Wilkinson Microwave Anisotropy Probe (WMAP) mapped the distribution of temperature and polarization over the entire sky in five microwave frequency bands. These full-sky maps were used to obtain measurements of temperature and polarization anisotropy of the cosmic microwave background with the unprecedented accuracy and precision. The analysis of two-point correlation functions of temperature and polarization data gives determinations of the fundamental cosmological parameters such as the age and composition of the universe, as well as the key parameters describing the physics of inflation, which is further constrained by three-point correlation functions. WMAP observations alone reduced the flat Λ cold dark matter (Lambda Cold Dark Matter) cosmological model (six) parameter volume by a factor of > 68, 000 compared with pre-WMAP measurements. The WMAP observations (sometimes in combination with other astrophysical probes) convincingly show the existence of non-baryonic dark matter, the cosmic neutrino background, flatness of spatial geometry of the universe, a deviation from a scale-invariant spectrum of initial scalar fluctuations, and that the current universe is undergoing an accelerated expansion. The WMAP observations provide the strongest ever support for inflation; namely, the structures we see in the universe originate from quantum fluctuations generated during inflation.

The Wilkinson Microwave Anisotropy Probe (WMAP)↗

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 OSTI2025

On measuring stimulated photon–photon scattering using multiple ultraintense lasers

Stimulated photon–photon scattering is a predicted consequence of quantum electrodynamics that has yet to be measured directly. Measuring the cross section for stimulated photon–photon scattering is the aim of a flagship experiment for NSF OPAL, a proposed laser user facility with two, 25-PW beamlines. We present optimized experimental designs for achieving this challenging and canonical measurement. A family of experimental geometries is identified that satisfies the momentum- and energy-matching conditions for two selected laser frequency options. Numerical models predict a maximum signal exceeding 1000 scattered photons per shot at the experimental conditions envisaged at NSF OPAL. Experimental requirements on collision geometry, polarization, cotiming and copointing, background suppression, and diagnostic technologies are investigated numerically. These results confirm that a beam cotiming shorter than the pulse duration and control of the copointing on a scale smaller than the shortest laser wavelength are needed to robustly scatter photons on a per-shot basis. Finally, we assess the bounds that a successful execution of this experiment may place on the mass scale of Born–Infeld nonlinear electrodynamics beyond the standard model of physics.

Beyond the Standard Model↗

DOE OSTI2024

Directional Superradiance in a Driven Ultracold Atomic Gas in Free Space

Ultracold atomic systems are among the most promising platforms that have the potential to shed light on the complex behavior of many-body quantum systems. One prominent example is the case of a dense ensemble illuminated by a strong coherent drive while interacting via dipole-dipole interactions. Despite being subjected to intense investigations, this system retains many open questions. A recent experiment carried out in a pencil-shaped geometry [Ferioli Nat. Phys. 19, 1345 (2023)] has reported measurements that have seemed consistent with the emergence of strong collective effects in the form of a “superradiant” phase transition in free space, when looking at the light-emission properties in the forward direction. Motivated by the experimental observations, we carry out a systematic theoretical analysis of the steady-state properties of the system as a function of the driving strength and atom number N . We observe signatures of collective effects in the weak-driving regime, which disappear with increasing drive strength as the system evolves into a single-particle-like mixed state comprised of randomly aligned dipoles. Although the steady state features some similarities to the reported superradiant-to-normal nonequilibrium transition, also known as cooperative resonance fluorescence, we observe significant qualitative and quantitative differences, including a different scaling of the critical drive parameter (from N to N ). We validate the applicability of a mean-field treatment to capture the steady-state dynamics under currently accessible conditions. Furthermore, we develop a simple theoretical model that explains the scaling properties by accounting for interaction-induced inhomogeneous effects and spontaneous emission, which are intrinsic features of interacting disordered arrays in free space. Published by the American Physical Society 2024

Agarwal, Sanaa (ORCID:0000000336863804)↗

NASA NTRS1992

The structures, binding energies and vibrational frequencies of Ca3 and Ca4: An application of the CCSD(T) method

The Ca3 and Ca4 metallic clusters have been investigated using state-of-the-art ab initio quantum mechanical methods. Large atomic natural orbital basis sets have been used in conjunction with the singles and doubles coupled-cluster (CCSD) method, a coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), and the multireference configuration interaction (MRCI) method. The equilibrium geometries, binding energies and harmonic vibrational frequencies have been determined with each of the methods so that the accuracy of the coupled-cluster methods may be assessed. Since the CCSD(T) method reproduces the MRCI results very well, cubic and quartic force fields of Ca3 and Ca4 have been determined using this approach and used to evaluate the fundamental vibrational frequencies. The infrared intensities of both the e' mode of Ca3 and the t2 mode of Ca4 are found to be small. The results obtained in this study are compared and contrasted with those from our earlier studies on small Be and Mg clusters.

Lee, Timothy J.↗

NASA NTRS1994

Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Barclay, V. J.↗

NASA NTRSDate not supplied

Metal Hydroxide and Oxyhydroxide Gas Database

In a high temperature combustion situation such as a gas turbine or rocket engine, combustion products include water vapor. This water vapor reacts with oxides in the hot-gas-path to form volatile hydroxides and oxyhydroxides. The oxides may be structural oxide components or protective oxides on alloys or non-oxide ceramics. In either case, this enhanced volatilization leads to degradation of components. Reliable thermochemical data for many metal hydroxides and oxyhydroxides has not been available. We review a database put together at NASA over many years based on experimental and ab initio computations for thermochemical data of Al, Si, Ti, Cr, Mn, Y, Zr, La, Ta, Gd, and Yb hydroxides and oxyhydroxides. Experimental methods for measuring thermodynamic quantities of metal hydroxides and oxyhydroxides are limited since the required high temperatures and high pressures preclude many conventional methods. Nonetheless, transpiration has proven a valuable tool in our laboratories for the Si-O-H, Cr-O-H, and Ti-O-H systems. Data are analyzed with second and third law methods. These data can be leveraged with quantum chemistry to provide reliable free energy functions for the third law calculation and comparison to the derived enthalpies of formation. Both wave function and DFT methods can be utilized for deriving the thermodynamic functions for the various metal hydroxides and oxyhydroxides. We have found that, in general, reasonable molecular geometries and spectroscopic data can be derived with a relatively low level of theory, i.e. DFT with the B3LYP functional. Accurate calculations of the enthalpy of formation require higher levels of theory, such as the Coupled Cluster, Singles, Doubles, and perturbative Triples CCSD(T) approach with complete basis sets (CBS). Also, corrections for hindered rotations and anharmonicity are necessary. For some symmetries, the anharmonic correction has proven to be a challenge and we have found that this is only treated properly by certain codes. The database lists the fHo(298), So(298), and Cp in the form Cp = A + BT + CT2 + D/T + E/T2, where A, B, C, D, and E are the fitting constants. Thus, it can be easily used in any of the common computational thermochemistry codes. To date, the database contains 51 gaseous species of the formula MOx(OH)y.

Metal Hydroxides↗

DOE OSTI2026

Experimental Characterization and Modeling of High Hole Mobility GeSn Quantum Wells: The Role of Alloy Disorder Scattering

Understanding mechanisms influencing electrical transport in material systems not only provides a scientific explanation for observed behavior but also offers insight into ways to enhance transport in devices. This study reports experimental hole mobility of 8 x 10 4 cm 2 V -1 s -1 in a Ge 0.92 Sn 0.08 , the highest recorded mobility for the GeSn system. A study of the material's quality is presented using structural and electrical characterization techniques, with transport data being supported by simulations using an extensive modeling framework. Quantum Hall measurements further indicate the material's high quality and potential spintronic applications, with extracted values of 0.0689$m$ 0 and 13.6 for the effective mass and effective g‐factor, respectively. It is observed that transport is limited by alloy disorder scattering at cryogenic temperatures. A comparative study between the presented structure and similar quantum well heterostructures revealed that the difference in hole mobilities is captured by a disparity in the reduced nominal alloy disorder scattering potential (Δ U alloy = 0.8 eV), that is lower than the value of a fully random alloy (Δ U alloy = 1.4–1.7 eV) potential. The difference in Δ U alloy suggests that heterostructures with similar geometries and alloy compositions can have different alloy disorder scattering, implying that an underlying mechanism, such as short‐range order, may be responsible and warrants further investigation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Gigahertz-frequency acousto-optic phase modulation of visible light in a CMOS-fabricated photonic circuit

Optical phase modulators operating at visible wavelengths are essential components for photonic technologies such as those for quantum control, communications, and laser ranging. However, they remain challenging to implement in scalable, integrated platforms capable of handling high optical powers. Here we present a visible-light, gigahertz-frequency acousto-optic phase modulator, fabricated on a 200-mm wafer in a volume CMOS foundry, that supports greater than 500 mW of optical power at 730 nm. The device combines a piezoelectric transducer and a photonic waveguide within a single, wavelength-scale structure that confines both a propagating optical mode and an electrically excitable breathing-mode mechanical resonance. By tuning the device’s geometry to optimize the optomechanical interaction, we achieve modulation depths up to 4.85 rad with 80 mW of applied microwave power at 2.31 GHz in a 2-mm-long device. This corresponds to resonant modulation figures of merit of V π = 1.32V and V π ⋅ L = 0.26V cm. To our knowledge, this is the lowest V π ever demonstrated in any acousto-optic phase modulator and represents a 15-fold reduction in V π and a 100-fold reduction in required microwave power relative to state-of-the-art modulators with high visible-wavelength power handling commonly employed in quantum control systems.

Freedman, Jacob M. [Univ. of Arizona, Tucson, AZ (↗

DOE OSTI2025

Squeezing quantum states in three-dimensional twisted crystals

Bloch's theorem provides a conventional starting point for describing wave propagation in periodic media, but in ordered materials where competing spatial periods coexist it is rendered ineffective, often with dramatic consequences. Here we develop an alternate approach that uses coherent free-particle vortex states to study quantum states in supertwisted crystals: three-dimensional stacks of atomically thin two-dimensional layers. Here, this formalism leads naturally to the representation of the spectrum using squeezed coherent states, and it reveals the crucial role of a Coriolis coupling in the equations of motion. This identifies an underlying noncommutative geometry and novel edge state structure in a family of complex ordered structures.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Quantum chemical studies of a model for peptide bond formation. 3. Role of magnesium cation in formation of amide and water from ammonia and glycine

The SN2 reaction between glycine and ammonia molecules with magnesium cation Mg2+ as a catalyst has been studied as a model reaction for Mg(2+)-catalyzed peptide bond formation using the ab initio Hartree-Fock molecular orbital method. As in previous studies of the uncatalyzed and amine-catalyzed reactions between glycine and ammonia, two reaction mechanisms have been examined, i.e., a two-step and a concerted reaction. The stationary points of each reaction including intermediate and transition states have been identified and free energies calculated for all geometry-optimized reaction species to determine the thermodynamics and kinetics of each reaction. Substantial decreases in free energies of activation were found for both reaction mechanisms in the Mg(2+)-catalyzed amide bond formation compared with those in the uncatalyzed and amine-catalyzed amide bond formation. The catalytic effect of the Mg2+ cation is to stabilize both the transition states and intermediate, and it is attributed to the neutralization of the developing negative charge on the electrophile and formation of a conformationally flexible nonplanar five-membered chelate ring structure.

Magnesium/chemistry↗

DOE OSTI2024

Towards natural and realistic E 7 GUTs in F-theory

We consider phenomenological aspects of a natural class of Standard Model-like supersymmetric F-theory vacua realized through flux breaking of rigid E 7 gauge factors. Three generations of Standard Model matter are realized in many of these vacua. We further find that many other Standard Model-like features are naturally compatible with these constructions. For example, dimension-4 and 5 terms associated with proton decay are ubiquitously suppressed. Many of these features are due to the group theoretical structure of E 7 and associated F-theory geometry. In particular, a set of approximate global symmetries descends from the E 7 group, leading to exponential suppression of undesired couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗