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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance

Semiclassical electrodynamics (with quantum matter plus classical electrodynamics fields) is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be described instantaneously by static two-body interactions connecting two different molecules, while a classical transverse E field acts as a spectator at short distance; we will call this Hamiltonian no. I. On the other hand, intermolecular interactions can also be described as effects that are mediated exclusively through a classical one-body Ε field without any quantum effects at all (assuming we ignore electronic exchange); we will call this Hamiltonian no. II. Moreover, one can also mix these two different Hamiltonians into a third, hybrid Hamiltonian, which preserves quantum electron-electron correlations for lower excitations but describes higher excitations in a mean-field way. To investigate which semiclassical scheme is most reliable for practical use, here we study the real-time dynamics of a minimalistic many-site model—a pair of identical two-level systems (TLSs)—undergoing either resonance energy transfer (RET) or collectively driven dynamics. While both approaches (no. 1 and no. 2) perform reasonably well when there is no strong external excitation, we find that no single approach is perfect for all conditions (and all methods fail when a strong external field is applied). Each method has its own distinct problems: Hamiltonian no. I performs best for RET but behaves in a complicated manner for driven dynamics; Hamiltonian no. II is always stable, but obviously fails for RET at short distances. One key finding is that, for externally driven dynamics, a full configuration-interaction description of Hamiltonian no. I strongly overestimates the long-time electronic energy, highlighting the not obvious fact that, if one plans to merge quantum molecules with classical light, a full, exact treatment of electron-electron correlations can actually lead to worse results than a simple mean-field electronic structure treatment. Future work will need to investigate (i) how these algorithms behave in the context of more than a pair of TLSs and (ii) whether or not these algorithms can be improved in general by including crucial aspects of spontaneous emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Digital-analog quantum computation

Digital quantum computing paradigm offers highly desirable features such as universality, scalability, and quantum error correction. However, physical resource requirements to implement useful error-corrected quantum algorithms are prohibitive in the current era of NISQ devices. As an alternative path to performing universal quantum computation, within the NISQ era limitations, we propose to merge digital single-qubit operations with analog multiqubit entangling blocks in an approach we call digital-analog quantum computing (DAQC). Along these lines, although the techniques may be extended to any resource, we propose to use unitaries generated by the ubiquitous Ising Hamiltonian for the analog entangling block and we prove its universal character. Here, we construct explicit DAQC protocols for efficient simulations of arbitrary inhomogeneous Ising, two-body, and M-body spin Hamiltonian dynamics by means of single-qubit gates and a fixed homogeneous Ising Hamiltonian. Additionally, we compare a sequential approach where the interactions are switched on and off (stepwise DAQC) with an always-on multiqubit interaction interspersed by fast single-qubit pulses (banged DAQC). Finally, we perform numerical tests comparing purely digital schemes with DAQC protocols, showing a remarkably better performance of the latter. The proposed DAQC approach combines the robustness of analog quantum computing with the flexibility of digital methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Ab initio typical medium theory of substitutional disorder

Here, by merging single-site typical medium theory with density-functional theory, we introduce a self-consistent framework for electronic-structure calculations of materials with substitutional disorder which takes into account Anderson localization. The scheme and details of the implementation are presented and applied to the hypothetical alloy Li$_cBe_{1-c}$, and the results are compared with those obtained with the coherent potential approximation. Furthermore, we demonstrate that Anderson localization suppresses ferromagnetic order for a very low concentration of (i) carbon impurities substituting oxygen in $MgO_{1-c}C_c$ and (ii) manganese impurities substituting magnesium in $Mg_{1-c}Mn_cO$ for the low-spin magnetic configuration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Revised phase diagram of the high- T c cuprate superconductor Pb-doped Bi 2 Sr 2 CaCu 2 O 8 + δ revealed by anisotropic transport measurements

Although phase diagrams can be leveraged to investigate high transition temperature (high-T c ) superconductivity, the issue has not been discussed thoroughly. In this study, we elucidate the phase diagram of the overdoped side of high-T c cuprates via systematic anisotropic transport measurements for Pb-doped Bi-2212 single crystals. We demonstrate that the characteristic temperatures of the “weak” pseudogap opening and electronic coherence cross each other at a critical doping level, while those of the “strong” pseudogap merges into that of superconducting fluctuations above the critical doping level. Her the results indicate the importance of Mottness in high-T c superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quasiparticle excitations in a one-dimensional interacting topological insulator: Application for dopant-based quantum simulation

Here, we study the effects of electron-electron interactions on the charge excitation spectrum of the spinful Su-Schrieffer-Heeger (SSH) model, a prototype of a one-dimensional bulk obstructed topological insulator. In view of recent progress in the fabrication of dopant-based quantum simulators we focus on experimentally detectable signatures of interacting topology in finite lattices. To this end we use Lanczos-based exact diagonalization to calculate the single-particle spectral function in real space which generalizes the local density of states to interacting systems. Its spatial and spectral resolution allows for the direct investigation and identification of edge states. By studying the noninteracting limit, we demonstrate that the topological in-gap states on the boundary are robust against both finite-size effects as well as random bond and onsite disorder which suggests the feasibility of simulating the SSH model in engineered dopant arrays in silicon. While edge excitations become zero-energy spinlike for any finite interaction strength, our analysis of the spectral function shows that the single-particle charge excitations are gapped out on the boundary. Despite the loss of topological protection, we find that these edge excitations are quasiparticlelike as long as they remain within the bulk gap. Above a critical interaction strength of U c ≈5t these quasiparticles on the boundary lose their coherence which is explained by the merging of edge and bulk states. This is in contrast to the many-body edge excitations which survive the limit of strong coupling, as established in the literature. Our findings show that for moderate repulsive interactions the nontrivial phase of the interacting SSH model can be detected through remnant signatures of topological single-particle states using single-particle local measurement techniques such as scanning tunneling spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Crucial role of thermal fluctuations and vertex corrections for the magnetic pseudogap

It is generally believed that in a two-dimensional metal, whose ground state is antiferromagnetically ordered with Q = (π,π), thermal (static) magnetic fluctuations give rise to precursor behavior above TN in which the spectral function of a hot fermion (the one for which k and k + Q are Fermi surface points) contains two peaks, separated by roughly the same energy as in the antiferromagnetically ordered state. The two peaks persist in some range of T > T N and eventually merge into a single peak at zero frequency. This behavior is obtained theoretically by departing from free fermions in a paramagnet and evaluating the dressed fermionic Green's function by summing up infinite series of diagrams with contributions from thermal magnetic fluctuations. We show, following that keeping vertex renormalization diagrams in these series is crucial as other terms only broaden the spectral function of a hot fermion but do not shift its maximum away from zero frequency. As the consequence, the magnetic pseudogap should be treated as an input for theories that neglect vertex corrections, such as, e.g., Eliashberg theory for magnetically mediated superconductivity. We also analyze the potential pseudogap behavior at T = 0. Here, we argue that it may exist, but only at a finite correlation length, and not as a precursor to antiferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Random fields from quenched disorder in an archetype for correlated electrons: The parallel spin stripe phase of La 1.6 – x Nd 0.4 Sr x CuO 4 at the 1/8 anomaly

The parallel stripe phase is remarkable both in its own right, and in relation to the other phases with which it coexists. Its inhomogeneous nature makes such states susceptible to random fields from quenched magnetic vacancies. Here we argue this is the case by introducing low concentrations of nonmagnetic Zn impurities (0%–10%) into La 1.6–x ⁢Nd 0.4⁢ Sr x ⁢CuO 4 (Nd-LSCO) with x=0.125 in single-crystal form, well below the percolation threshold of ~41% for a two-dimensional square lattice. Elastic neutron scattering measurements on these crystals show clear magnetic quasi-Bragg peaks at all Zn dopings. While all the Zn-doped crystals display order parameters that merge into each other and the background at ~68 K, the temperature dependence of the order parameter as a function of Zn concentration is drastically different. This result is consistent with meandering charge stripes within the parallel stripe phase, which are pinned in the presence of quenched magnetic vacancies. In turn it implies vacancies that preferentially occupy sites within the charge stripes, and hence that can be very effective at disrupting superconductivity in Nd-LSCO (x=0.125), and, by extension, in all systems exhibiting parallel stripes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum fragmentation in the extended quantum breakdown model

We introduce a one-dimensional (1D) extended quantum breakdown model comprising a fermionic and a spin degree of freedom per site, and featuring a spatially asymmetric breakdown-type interaction between the fermions and spins. Furthermore, our model resembles the breakdown process of particles incident into a cloud chamber with nonzero quantum amplitudes of both exciting and not exciting the local vapor atoms. We analytically show that, in the absence of any magnetic field for the spins, the model exhibits Hilbert space fragmentation within each symmetry sector into exponentially many Krylov subspaces and hence displays nonthermal dynamics. Here, we demonstrate that the fragmentation naturally occurs in an entangled basis and thus provides an example of “quantum fragmentation.” Besides establishing the nature of fragmentation analytically, we also study the long-time behavior of the entanglement entropy and its deviation from the expected Page value as a probe of ergodicity in the system. Upon introducing a magnetic field for the spins, most of the Krylov subspaces merge and the model becomes chaotic. Finally, we study the effects of strong randomness on the system and observe behavior similar to that of many-body localized systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nuclear energy density functionals grounded in ab initio calculations

Here, we discuss the construction of a nuclear energy density functional (EDF) from ab initio computations and advocate the need for a methodical approach that is free from ad hoc assumptions. The equations of state (EoSs) of symmetric nuclear and pure neutron matter are computed using the chiral NNLO sat and the phenomenological AV4' + UIX c Hamiltonians as inputs to self-consistent Green's function (SCGF) and auxiliary field diffusion Monte Carlo (AFDMC) methods. We propose a convenient parametrization of the EoS as a function of the Fermi momentum and fit it on the SCGF and AFDMC calculations. We apply the ab initio based EDF to carry out an analysis of the binding energies and charge radii of different nuclei in the local density approximation. The NNLO sat -based EDF produces encouraging results, whereas the AV4' + UIX c -based one is farther from experiment. Possible explanations of these different behaviors are suggested, and the importance of gradient and spin-orbit terms is analyzed. Our paper paves the way for a practical and systematic way to merge ab initio nuclear theory and density functional theory, while shedding light on some critical aspects of this procedure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Measurement and modeling of proton-induced reactions on arsenic from 35 to 200 MeV

72 As is a promising positron emitter for diagnostic imaging that can be employed locally using a 72 Se generator. However, current reaction pathways to 72 Se have insufficient nuclear data for efficient production using regional 100–200 MeV high-intensity proton accelerators. In order to address this deficiency, stacked-target irradiations were performed at LBNL, LANL, and BNL to measure the production of the 72 Se/ 72 As positron emission tomography (PET) generator system via 75 As (p, x) between 35 and 200 MeV. This work provides the most well-characterized excitation function for 75 As ( p , 4 n ) 72 Se starting from threshold. Additional focus was given to report the first measurements of 75 As (p, x) 68 Ge and bolster an already robust production capability for the highly valuable 68 Ge/ 68 Ga PET generator. Thick target yield comparisons with prior established formation routes to both generators are made. In total, high-energy proton-induced cross sections are reported for 55 measured residual products from 75 As, nat Cu , and nat Ti targets, where the latter two materials were present as monitor foils. These results were compared with literature data as well as the default theoretical calculations of the nuclear model codes TALYS, COH, EMPIRE, and ALICE. Reaction modeling at these energies is typically unsatisfactory due to few prior published data and many interacting physics models. Therefore, a detailed assessment of the talys code was performed with simultaneous parameter adjustments applied according to a standardized procedure. Particular attention was paid to the formulation of the two-component exciton model in the transition between the compound and preequilibrium regions, with a linked investigation of level density models for nuclei off of stability and their impact on modeling predictive power. This paper merges experimental work and evaluation techniques for high-energy charged-particle isotope production in an extension to an earlier study of this kind.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Baryon transport in color flux tubes

Color flux tubes are a standard perspective from which to understand stopping in high-energy collisions. Mechanisms for baryon transport and polarization within a tube are considered here, both in regards to the transport of baryons from the target and projectile toward midrapidity and in regards to the correlations of baryon-antibaryon pairs created in the tube. The roles of tube merging and gluon radiation within a tube are emphasized.

Physics↗
DOE OSTI2020

GW190412: Observation of a binary-black-hole coalescence with asymmetric masses

We report the observation of gravitational waves from a binary-black-hole coalescence during the first two weeks of LIGO's and Virgo's third observing run. The signal was recorded on April 12, 2019 at 05:30:44 UTC with a network signal-to-noise ratio of 19. The binary is different from observations during the first two observing runs most notably due to its asymmetric masses: A ~30 M ⊙ black hole merged with a ~8 M ⊙ black hole companion. The more massive black hole rotated with a dimensionless spin magnitude between 0.22 and 0.60 (90% probability). Asymmetric systems are predicted to emit gravitational waves with stronger contributions from higher multipoles, and indeed we find strong evidence for gravitational radiation beyond the leading quadrupolar order in the observed signal. A suite of tests performed on GW190412 indicates consistency with Einstein's general theory of relativity. While the mass ratio of this system differs from all previous detections, we show that it is consistent with the population model of stellar binary black holes inferred from the first two observing runs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Revisiting constraints on asymmetric dark matter from collapse in white dwarf stars

The runaway collapse phase of a small dark matter cluster inside a white dwarf star encompasses a reversible stage, where heat can be transferred back and forth between nuclear and dark matter. Induced nuclear burning phases are stable and early carbon depletion undermines previous claims of type Ia supernova ignition. Instead, mini black holes are formed at the center of the star that either evaporate or accrete stellar material until a macroscopic sub-Chandrasekhar-mass black hole is formed. In the latter case, a 0.1 to 1 second lasting electromagnetic transient signal can be detected upon ejection of the white dwarf’s potential magnetic field. Binary systems that transmute to black holes and subsequently merge emit gravitational waves. Advanced LIGO should detect one such sub-Chandrasekhar binary black hole inspiral per year, while future Einstein telescope-like facilities will detect thousands per year. The effective spin parameter distribution is peaked at 0.2 and permits future studies to disentangle from primordial sub-Chandrasekhar black holes. Such signatures are compatible with current direct detection constraints, as well as with neutron star constraints in the case of bosonic dark matter, even though they remain in conflict with the fermionic case for part of the parameter space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Quasinormal g-modes of neutron stars with quarks

Quasinormal oscillation modes of neutron stars provide a means to probe their interior composition using gravitational wave astronomy. We compute the frequencies and damping times of composition-dependent core 𝑔-modes of neutron stars containing quark matter employing linearized perturbative equations of general relativity. We find that ignoring background metric perturbations due to the oscillating fluid, as in the Cowling approximation, underestimates the 𝑔-mode frequency by up to 10% for higher mass stars, depending on the parameters of the nuclear equation of state and how the mixed phase is constructed. The 𝑔-mode frequencies are well described by a linear scaling with the central lepton (or combined lepton and quark) fraction for nucleonic (hybrid) stars. Furthermore, our findings suggest that neutron stars with and without quarks are manifestly different with regards to their quasinormal 𝑔-mode spectrum, and may thus be distinguished from one another in future observations of gravitational waves from merging neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Constraining properties of asymmetric dark matter candidates from gravitational-wave observations

The accumulation of certain types of dark matter particles in neutron star cores due to accretion over long timescales can lead to the formation of a mini black hole. In this scenario, the neutron star is destabilized and implodes to form a black hole without significantly increasing its mass. When this process occurs in neutron stars in coalescing binaries, one or both stars might be converted to a black hole before they merge. Thus, in the mass range of ~1–2M ⊙ , the Universe might contain three distinct populations of compact binaries: one containing only neutron stars, the second population of only black holes, and a third, mixed population consisting of a neutron star and a black hole. However, it is unlikely to have a mixed population as the various timescales allow for both neutron stars to remain or collapse within a short timescale. In this paper, we explore the capability of future gravitational-wave detector networks, including upgrades of Advanced LIGO and Virgo, and new facilities such as the Cosmic Explorer and Einstein Telescope (XG network), to discriminate between different populations by measuring the effective tidal deformability of the binary, which is zero for binary black holes but nonzero for binary neutron stars. Furthermore, we show that observing the relative abundances of the different populations can be used to infer the timescale for neutron stars to implode into black holes, and in turn, provide constraints on the particle nature of dark matter. Furthermore, the XG network will infer the implosion timescale to within an accuracy of 0.01 Gyr at 90% credible interval and determine the dark matter mass and interaction cross section to within a factor of 2 GeV and 10 cm –2 , respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Novel features of attractors and transseries in nonconformal Bjorken flows

In this work we investigate the impact of conformal symmetry breaking on hydrodynamization of a far-from-equilibrium fluid. We find a new kind of transseries solutions for the nonconformal hydrodynamic equations of a longitudinal boost invariant expanding plasma. The new transseries solutions unveil a rich physical structure which arises due to the interplay of different physical scales. In the perfect fluid case the nonconformal speed of sound slows down the cooling of the temperature due to the emergence of logarithmic corrections that depends on the mass of the particle. Further, these terms propagate into the perturbative and nonperturbative sectors of the transseries once viscous corrections are included. The logarithmic mass contributions increase the asymptotic value of the Knudsen number while decreasing the damping rate of the transient nonhydrodynamic modes and thus, yielding to an extremely slow hydrodynamization process where flow lines merge to their forward attractor at extremely late times. The early time free streaming expansion is modified and receives logarithmic mass corrections induced by the shear-bulk couplings. The global flow structure and numerical analyses carried out in our work demonstrate the existence of local attraction at early and late times for the shear viscous tensor and bulk viscous pressure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Ameliorating the Courant-Friedrichs-Lewy condition in spherical coordinates: A double FFT filter method for general relativistic MHD in dynamical spacetimes

Numerical simulations of merging compact objects and their remnants form the theoretical foundation for gravitational wave and multimessenger astronomy. While Cartesian-coordinate-based adaptive mesh refinement is commonly used for simulations, spherical-like coordinates are more suitable for nearly spherical remnants and azimuthal flows due to lower numerical dissipation in the evolution of fluid angular momentum, as well as requiring fewer numbers of computational cells. However, the use of spherical coordinates to numerically solve hyperbolic partial differential equations can result in severe Courant-Friedrichs-Lewy (CFL) stability condition time step limitations, which can make simulations prohibitively expensive. This paper addresses this issue for the numerical solution of coupled spacetime and general relativistic magnetohydrodynamics evolutions by introducing a double fast Fourier transform (FFT) filter and implementing it within the fully message passing interface (mpi)-parallelized sphericalnr framework in the einstein toolkit. In conclusion, we demonstrate the effectiveness and robustness of the filtering algorithm by applying it to a number of challenging code tests, and show that it passes these tests effectively, demonstrating convergence while also increasing the time step significantly compared to unfiltered simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Classical field approximation of ultralight dark matter: Quantum break times, corrections, and decoherence

The classical field approximation is widely used to better understand the predictions of ultralight dark matter. Here, in this work, we use the truncated Wigner approximation method to test the classical field approximation of ultralight dark matter. This method approximates a quantum state as an ensemble of independently evolving realizations drawn from its Wigner function. The method is highly parallelizable and allows the direct simulation of quantum corrections and decoherence times in systems many times larger than have been previously studied in reference to ultralight dark matter. Our study involves simulation of systems in 1, 2, and 3 spatial dimensions. We simulate three systems, the condensation of a Gaussian random field in three spatial dimensions, a stable collapsed object in three spatial dimensions, and the merging of two stable objects in two spatial dimensions. We study the quantum corrections to the classical field theory in each case. We find that quantum corrections grow exponentially during nonlinear growth with the timescale being approximately equal to the system dynamical time. In stable systems the corrections grow quadratically. We also find that the primary effect of quantum corrections is to reduce the amplitude of fluctuations on the de Broglie scale in the spatial density. Finally, we find that the timescale associated with decoherence due to gravitational coupling to baryonic matter is at least as fast as the quantum corrections due to gravitational interactions. These results are consistent with the predictions of the classical field theory being accurate.

79 ASTRONOMY AND ASTROPHYSICS↗