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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Efficiently Measuring 𝑑-Wave Pairing and Beyond in Quantum Gas Microscopes

Understanding the mechanism of high-temperature superconductivity is among the most important problems in physics, one for which quantum simulation can provide new insights. However, it remains challenging to characterize superconductivity in existing cold-atom quantum simulation platforms. Here, in this work, we introduce a protocol for measuring a broad class of observables in fermionic quantum gas microscopes, including long-range superconducting pairing correlations (after a repulsive-to-attractive mapping). The protocol only requires global controls followed by site-resolved particle number measurements—capabilities that have been already demonstrated in multiple experiments—and is designed by analyzing the Hilbert space of fermions on two sites. The protocol is sample-efficient and we further optimize our pulses for robustness to experimental imperfections such as lattice inhomogeneity. Our Letter introduces a general tool for manipulating quantum states on optical lattices, enhancing their ability to tackle problems such as high-temperature superconductivity.

Hubbard model↗
DOE OSTI2026

Microscopic constraints for the equation of state and structure of neutron stars: A Bayesian model mixing framework

Bayesian model mixing (BMM) is a statistical technique that can combine constraints from different regions of an input space in a principled way. Here we extend our BMM framework for the equation of state (EOS) of strongly interacting matter from symmetric nuclear matter to asymmetric matter, specifically focusing on zero-temperature, charge-neutral, 𝛽-equilibrated matter. We use Gaussian processes (GPs) to infer constraints on the neutron-star matter EOS at intermediate densities from two different microscopic theories: chiral effective-field theory (𝜒⁢EFT) at baryon densities around nuclear saturation, 𝑛 𝐵 ∼ 𝑛 0 , and perturbative QCD at asymptotically high baryon densities, 𝑛 𝐵 ⩾ 20⁢𝑛 0 . The uncertainties of the 𝜒⁢EFT and pQCD EOSs are obtained using the BUQEYE truncation error model. We demonstrate the flexibility of our framework through the use of two categories of GP kernels: conventional stationary kernels and a nonstationary changepoint kernel. We use the latter to explore potential constraints on the dense matter EOS by including exogenous data representing theory predictions and heavy-ion collision measurements at densities ⩾ 2⁢𝑛 0 . We also use our EOSs to obtain neutron-star mass-radius relations and their uncertainties. Finally, our framework, whose implementation will be available through a GitHub repository, provides a prior distribution for the EOS that can be used in large-scale neutron-star inference frameworks.

Bayesian methods↗
DOE OSTI2021

Quantum Monte Carlo studies of a trimer scaling function with microscopic two- and three-body interactions

Here, we present an energy scaling function to predict, in a specific range, the energy of bosonic trimers with large scattering lengths and finite range interactions, which is validated by quantum Monte Carlo calculations using microscopic Hamiltonians with two- and three-body potentials. The proposed scaling function depends on the scattering length, effective range, and a reference energy, which we chose as the trimer energy at unitarity. We obtained the scaling function as a limit cycle from the solution of the renormalized zero-range model with effective range corrections. We proposed a simple parametrization of the energy scaling function. Besides the intrinsic interest in theoretical and experimental investigations, this scaling function allows one to probe Efimov physics with only the trimer ground states, which may open opportunities to identify Efimov trimers whenever access to excited states is limited.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2010

Condensation of N bosons: Microscopic approach to fluctuations in an interacting Bose gas

We present a microscopic derivation of the master equation for the condensate density matrix for an interacting Bogoliubov-Bose gas of N atoms. We choose the interaction Hamiltonian in a special way that substantially simplifies the master equation, yielding no coupling between diagonal and off-diagonal terms. The present formulation allows us to solve the problem analytically in a steady state and obtain the expression for the distribution function and equilibrium condensate fluctuations. For the first two central moments, our results are equivalent to those obtained in the canonical-ensemble quasiparticle formalism [V. V. Kocharovsky, Vl. V. Kocharovsky, and M. O. Scully, Phys. Rev. Lett. 84, 2306 (2000); Phys. Rev. A 61, 053606 (2000)], in the low-temperature range where these papers are valid, but also give an accurate description at high temperatures. The present analysis for an interacting Bose gas is as accurate as the master equation approach of Kocharovsky et al.[Phys. Rev. A 61, 023609 (2000)] is for an ideal gas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Microscopic model of electric-field-noise heating in ion traps

Motional heating of ions in microfabricated traps is one of the open challenges hindering experimental realizations of large-scale quantum processing devices. Recently, a series of measurements of the heating rates in surface-electrode ion traps characterized their frequency, distance, and temperature dependencies, but our understanding of the microscopic origin of this noise remains incomplete. In this work we develop a theoretical model for the electric field noise which is associated with a random distribution of adsorbed atoms on the trap electrode surface. By using first-principles calculations of the fluctuating dipole moments of the adsorbed atoms we evaluate the distance, frequency, and temperature dependence of the resulting electric field fluctuation spectrum. Our theory reproduces correctly the d{sup -4} dependence with distance of the ion from the electrode surface and calculates the noise spectrum beyond the standard scenario of two-level fluctuators by incorporating all the relevant vibrational states. Our model predicts a regime of 1/f noise which commences at roughly the frequency of the fundamental phonon transition rate and a thermally activated noise spectrum which for higher temperatures exhibits a crossover as a function of frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Hybrid methods for witnessing entanglement in a microscopic-macroscopic system

We propose a hybrid approach to the experimental assessment of the genuine quantum features of a general system consisting of microscopic and macroscopic parts. We infer entanglement by combining dichotomic measurements on a bidimensional system and phase-space inference through the Wigner distribution associated with the macroscopic component of the state. As a benchmark, we investigate the feasibility of our proposal in a bipartite-entangled state composed of a single-photon and a multiphoton field. Our analysis shows that, under ideal conditions, maximal violation of a Clauser-Horne-Shimony-Holt-based inequality is achievable regardless of the number of photons in the macroscopic part of the state. The difficulty in observing entanglement when losses and detection inefficiency are included can be overcome by using a hybrid entanglement witness that allows efficient correction for losses in the few-photon regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Microscopic description of anisotropic low-density dipolar Bose gases in two dimensions

A microscopic description of the zero-energy two-body ground state and many-body static properties of anisotropic homogeneous gases of bosonic dipoles in two dimensions at low densities is presented and discussed. By changing the polarization angle with respect to the plane, we study the impact of the anisotropy, present in the dipole-dipole interaction, on the energy per particle, comparing the results with mean-field predictions. We restrict the analysis to the regime where the interaction is always repulsive, although the strength of the repulsion depends on the orientation with respect to the polarization field. We present a series expansion of the solution of the zero-energy two-body problem, which allows us to find the scattering length of the interaction and to build a suitable Jastrow factor that we use as a trial wave function for both a variational and diffusion Monte Carlo simulation of the infinite system. We find that the anisotropy has an almost negligible impact on the ground-state properties of the many-body system in the universal regime where the scattering length governs the physics of the system. We also show that scaling in the gas parameter persists in the dipolar case up to values where other isotropic interactions with the same scattering length yield different predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Single-photon pulse propagation in and into a medium of two-level atoms: Microscopic Fresnel equations

The propagation of an off-resonant, single-photon pulse in and into a medium of two-level atoms is considered. When the pulse is launched from within the medium, there are two propagation speeds, neither of which is the normal group velocity. For densities as small as 10{sup 11} atoms/cm{sup 3} and detunings of order 10{sup 11} s{sup -1}, both propagation speeds approach one half the speed of light in vacuum. Moreover, rather remarkably, there are Rabi oscillations between the field and atomic excitation, even for this single-photon pulse. In contrast, for a pulse sent into the medium, the atom-field system remains adiabatically in a dressed state that propagates with the normal group velocity. In the limit that the index of refraction is approximately equal to unity, we obtain the Fresnel equations for the reflection and transmission coefficients based on this microscopic model. The transmission coefficient differs from the conventional result owing to the fact that we quantize the field in free space.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Coupling mechanism between microscopic two-level system and superconducting qubits

We propose a scheme to clarify the coupling nature between superconducting Josephson qubits and microscopic two-level systems. Although dominant interest in studying two-level systems was in phase qubits previously, we find that the sensitivity of the generally used spectral method in phase qubits is not sufficient to evaluate the exact form of the coupling. On the contrary, our numerical calculation shows that the coupling strength changes remarkably with the flux bias for a flux qubit, providing a useful tool to investigate the coupling mechanism between the two-level systems and qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

3D theory of microscopic instabilities driven by space-charge forces

Microscopic, or short-wavelength, instabilities are known for a drastic reduction of the beam quality and strong amplification of the noise in a beam. Space charge and coherent synchrotron radiation are known to be the leading causes of such instabilities. In this paper, we present a rigorous 3D theory of such instabilities driven by the space-charge forces. We define the condition when our theory is applicable to an arbitrary accelerator system with 3D coupling. Finally, we derive a linear integral equation describing such instability and identify conditions when it can be reduced to an ordinary second-order differential equation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Measurement and Simulation of the Magnetic Fields from a 555 Timer Integrated Circuit Using a Quantum Diamond Microscope and Finite-Element Analysis

Quantum diamond microscope (QDM) magnetic field imaging is an emerging interrogation and diagnostic technique for integrated circuits (ICs). To date, the ICs measured with a QDM have been either too complex for us to predict the expected magnetic fields and benchmark the QDM performance or too simple to be relevant to the IC community. In this paper, we establish a 555 timer IC as a “model system” to optimize QDM measurement implementation, benchmark performance, and assess IC device functionality. To validate the magnetic field images taken with a QDM, we use a spice electronic circuit simulator and finite-element analysis (FEA) to model the magnetic fields from the 555 die for two functional states. Furthermore, we compare the advantages and the results of three IC-diamond measurement methods, confirm that the measured and simulated magnetic images are consistent, identify the magnetic signatures of current paths within the device, and discuss using this model system to advance QDM magnetic imaging as an IC diagnostic tool.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Microscopic Origin of Polarization Charges at Ga N / ( Al , Ga ) N Interfaces

Ga⁢N/(Al,Ga)⁢N heterojunctions are at the heart of high-electron-mobility transistors that are being adopted for high-power and high-frequency applications. The strong polarization fields present at this interface significantly enhance the density of the two-dimensional electron gas (2DEG) that is confined on the Ga⁢ N side of the junction. The microscopic origin of these electrons has been debated over the years: after excluding that they would be contributed by bulk donors, a model that identifies surface states on the (Al, Ga)⁢N surface as the source of electrons has become widely adopted. Recently, it has become clear, however, that the measured density of surface states is insufficient to account for the high electron density in the 2DEG. Here we demonstrate, based on state-of-the-art first-principles calculations, that the source of electrons is intrinsic to the overall structure and that the negative charge in the 2DEG is balanced by fixed charge on the surface. We perform a rigorous study of polarization, using our recently developed methodology for quantifying polarization fields within the finite-sized systems that can be addressed with density-functional calculations. The results show that the electrons that appear in the 2DEG originate locally at the interface, and that the net charge at the interface is predominantly compensated by fixed charge on the surface, rather than surface states. We elucidate the source of this fixed charge and associate it with surface reconstructions or the presence of heterovalent impurities (such as oxygen). Our results force a reassessment of the impact of surface states on the density of the 2DEG: rather than serving as a supply of electrons, the surface states mainly act to pin the Fermi level. Our conclusions allow a fresh interpretation of experimental observations and allow devising guidelines for optimizing carrier densities in the 2DEG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Microscopic examination of rf-cavity-quality niobium films through local nonlinear microwave response

The performance of superconducting radio-frequency (SRF) cavities is sometimes limited by local defects. To investigate the rf properties of these local defects, especially those that nucleate rf magnetic vortices, a near-field magnetic microwave microscope is employed. Local third-harmonic response ( P 3 f ) and its temperature dependence and rf power dependence are measured for one Nb / Cu film grown by direct current magnetron sputtering (DCMS) and six Nb / Cu films grown by high-power impulse magnetron sputtering (HiPIMS) with systematic variation of deposition conditions. Five out of the six HiPIMS Nb / Cu films show a strong third-harmonic response that is likely coming from rf vortex nucleation due to a low- T c surface defect with a transition temperature between 6.3 and 6.8 K, suggesting that this defect is a generic feature of air-exposed HiPIMS Nb / Cu films. A phenomenological model of surface-defect grain boundaries hosting a low- T c impurity phase is introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe-sample interaction to better understand the measured third-harmonic response. The simulation results show that the third-harmonic response of rf vortex nucleation caused by surface defects exhibits the same general features as the data, including peaks in third-harmonic response with temperature, and their shift and broadening with higher microwave amplitude. We find that the parameters of the phenomenological model (the density of surface defects that nucleate rf vortices and the depth an rf vortex travels through these surface defects) vary systematically with film deposition conditions. From the point of view of these two properties, the Nb / Cu film that is most effective at reducing the nucleation of rf vortices associated with surface defects can be identified. Published by the American Physical Society 2024

Wang, Chung-Yang (ORCID:0000000184299633)↗
DOE OSTI2020

Microscopic force driving the photoinduced ultrafast phase transition: Time-dependent density functional theory simulations of IrTe 2

Photoinduced phase transitions can have complex and intriguing behaviors more than material ground-state dynamics. Understanding the underlying mechanism can help us to design new ways to manipulate the materials. A variety of mechanisms has been proposed to explain the photoinduced phase transitions of IrTe 2 , but a consensus has yet to be reached. Here, we study the photo-induced phase transitions of IrTe 2 by performing the real-time time-dependent density functional theory (rt-TDDFT) simulations in combination with the occupation constrained DFT method. We reveal that the microscopic driving force for the photo-induced phase transitions arises from the tendency to lower the energy levels occupied by the excited carriers, through the increase or decrease of the associated atomic pair distances, depending on whether the newly occupied states are antibonding or bonding states, respectively. The geometric constraints between different bonds represented by the Poisson ratio can bring together different tendencies from different atomic pairs, thus forming a complex intriguing dynamic picture depending on the intensity of the excitation. Furthermore, we also find that phonons don't play a primary role, but can assist the phase transition. These findings imply that one can control the structural phase transitions by selectively exciting photocarriers into designated atomic states using appropriate photon sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Microscopic diagnosis of universal geometric responses in fractional quantum Hall liquids

Topological quantum liquids contain internal degrees of freedom that are coupled to geometric response. Yet, an explicit and microscopic identification of the geometric response remains difficult. Here, taking notable fractional quantum Hall (FQH) states as typical examples, we systematically investigate a promising protocol—the Dehn-twist deformation on the torus geometry—to probe the geometric response of correlated topological states and establish the relation between such response and universal properties of pertinent states. Based on analytical derivations and numerical simulations, we find that the geometry-induced Berry phase encodes features for a broad class of FQH states at the Laughlin, hierarchy, Halperin and non-Abelian Moore-Read fillings. Our findings conclusively demonstrate that the adiabatic Dehn-twist deformation can faithfully capture rich geometric and topological information, including the Hall viscosity and topological spin of the pertinent FQH state and the chiral central charge of the underlying edge conformal field theory. Our approach provides a powerful way to reveal topological orders of generic FQH states and address previously open questions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microscopic Phase Diagram of Eu(Fe 1-x Ni x )As 2 ( x = 0,0.04) Under Pressure

This study will go to establish the microscopic P-T phase diagram of recent 112-type iron-pnictides Eu(Fe 1-x Ni x )As- 2 (x = 0,0.04), high-pressure synchrotron Mossbauer spectroscopy experiments in 151 Eu and 57 Fe have been performed. In EuFeAs 2 application of pressure completely suppresses the itinerant electron magnetism from the Fe sublattice and the local-moment magnetism in Eu ions at similar to ~10 and similar to ~11.6 GPa, respectively. High-pressure x-ray diffraction experiments in EuFeAs 2 reveal an anomalous change in the lattice parameters and a discontinuity in volume around 10 GPa, suggesting an isostructural transition at this pressure. With Ni-doping (x = 0.04), a collapse of local magnetic order occurs at similar to ~8GPa, a lower critical pressure compared with the parent compound. In both systems, the suppression of local-moment magnetism is associated with a significant increase of mean valence in Eu ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microscopic formulas for thermoelectric transport coefficients in lattice systems

Here, a macroscopic description of thermoelectric phenomena involves several tensorial transport coefficients. Textbook microscopic Kubo formulas for them are plagued with ambiguities in the definitions of the current operators and the magnetization. We derive a version of these formulas for lattice systems that is free from ambiguities but contains additional terms compared to the textbook results. For symmetric components of thermoelectric tensors, we identify a large class of lattice systems for which the additional terms vanish with a natural choice of the energy current. To eliminate ambiguities in the skew-symmetric components, one needs to interpret them as relative quantities: only their differences for pairs of materials are well-defined.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Three-dimensional stacking of canted antiferromagnetism and pseudospin current in undoped Sr 2 IrO 4 : Symmetry analysis and microscopic model realization

Recent optical second-harmonic generation experiments observed unexpected broken spatial symmetries in the undoped spin-orbit Mott insulator Sr2 IrO4, leading to intensive debates on the nature of its ground state. Here we propose that it is a canted antiferromagnetism (CAF) with a hidden order of circulating staggered pseudospin current. Symmetry analysis shows that a proper c-axis stacking of the CAF and the pseudospin current lead to a magnetoelectric coexistence state that breaks the twofold rotation, inversion, and time-reversal symmetries, consistent with experimental observations. We construct a three-dimensional Hubbard model with spin-orbit coupling and structural distortion for the five localized 5d Wannier orbitals centered at Ir sites and demonstrate the microscopic realization of the desired coexistence state in a wide range of band parameters via a combination of self-consistent Hartree-Fock and variational calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗