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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Characterization of two electronic subsystems in cuprates through optical conductivity

Understanding the physical properties of unconventional superconductors as well as of other correlated materials presents a formidable challenge. Their unusual evolution with doping, frequency, and temperature has frequently led to non-Fermi-liquid (non-FL) interpretations. Optical conductivity is a major challenge in this context. Here, the optical spectra of two archetypal cuprates, underdoped HgBa 2 CuO 4+δ and optimally doped Bi 2 Sr 2 CaCu 2 O 8+δ , are interpreted based on the standard Fermi-liquid (FL) paradigm. At both dopings, perfect frequency-temperature FL scaling is found to be modified by the presence of a second, gapped electronic subsystem. Further, this non-FL component emerges as a well-defined mid-infrared spectral feature after the FL contribution, determined independently by transport, is subtracted. Temperature, frequency, and doping evolution of the MIR feature identify a gapped rather than dissipative response. In contrast, the dissipative response is found to be relevant for pnictides and ruthenates. Such an unbiased FL/non-FL separation is extended across the cuprate phase diagram, capturing all the key features of the normal state and providing a natural explanation why the superfluid density is attenuated on the overdoped side. Thus, we obtain a unified interpretation of optical responses and transport measurements in all analyzed physical regimes and all analyzed compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2024

False vacuum decay and nucleation dynamics in neutral atom systems

Metastable states of quantum many-body systems with confinement offer a means to simulate false vacuum phenomenology, including nonequilibrium dynamical processes like decay by nucleation, in truncated limits. Recent work has examined the decay process in one-dimensional (1D) ferromagnetic Ising spins and superfluids. Here, in this paper, we study nucleation dynamics in 1D antiferromagnetic neutral atom chains with Rydberg interactions, using both numerical simulations and analytic modeling. We apply a staggered local detuning field to generate the metastable and ground states. Our efforts focus on two dynamical regimes: decay and annealing. In the first, we corroborate the phenomenological decay rate scaling and determine the associated parameter range for the decay process; in the second, we uncover and elucidate a procedure to anneal the metastable state from the initial to the final system, with intermediate nucleation events. We further propose experimental protocols to prepare the required states and perform quenches on near-term neutral atom quantum simulators, examining the experimental feasibility of our proposed setup and parameter regime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Doping-dependent anisotropic superconducting gap in Na1-δ(Fe1-xCox)As from London penetration depth

The London penetration depth was measured in single crystals of self-doped Na1-δFeAs (from under doping to optimal doping, Tc from 14 to 27 K) and electron-doped Na(Fe1-xCox)As with x ranging from undoped, x=0, to overdoped, x=0.1. In all samples, the low-temperature variation of the penetration depth exhibits a power-law dependence, Δλ(T)=ATn, with the exponent that varies in a domelike fashion from n˜1.1 in the underdoped, reaching a maximum of n˜1.9 in the optimally doped, and decreasing again to n˜1.3 on the overdoped side. While the anisotropy of the gap structure follows a universal domelike evolution, the exponent at optimal doping, n˜1.9, is lower than in other charge-doped Fe-based superconductors (FeSCs). The full-temperature range superfluid density, ρs(T)=λ(0)/λ(T)2, at optimal doping is also distinctly different from other charge-doped FeSCs but is similar to isovalently substituted BaFe2(As1-xPx)2, believed to be a nodal pnictide at optimal doping. These results suggest that the superconducting gap in Na(Fe1-xCox)As is highly anisotropic even at optimal doping.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Comment on 'Precision global measurements of London penetration depth in FeTe0.58Se0.42'

We reply to the Comment by Klein, Rodière, and Marcenat [ Phys. Rev. B 86 066501 (2012)] on our paper [ Phys. Rev. B 84 174502 (2011)]. Our work was motivated by Klein et al. [ Phys. Rev. B 82 184506 (2010)]. In their paper, Klein et al. have attributed a factor of 5 difference in the value of the London penetration depth obtained from their tunnel diode resonator (TDR) measurements and calculated from the “field of first penetration”to the surface roughness, although they have not verified it experimentally. In our paper, we have studied the effects of deliberately introduced surface roughness and found that its effects are minor and cannot be responsible for the difference of such magnitude. Instead, we suggest that the value of the field of first penetration measured with Hall arrays cannot be used to extract a true lower critical field due to several reasons outlined in our Reply. We emphasize that the accuracy of the calibration procedure of the TDR technique has been carefully verified in several prior studies and our work on FeTe0.58Se0.42 further confirms it. We show that in their Comment, Klein et al. use wrong arguments of the universal behavior of the superfluid density in the gapless limit, because it is inapplicable for the multiband superconductors. We also discuss the applicability of the clean-limit γ model and the influence of the disorder on the obtained results.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Evolution of London penetration depth with scattering in single crystals of K1-xNaxFe2As2

London penetration depth, λ(T), was measured in single crystals of K1-xNaxFe2As2, x=0 and 0.07, down to temperatures of 50 mK, ~Tc/50. Isovalent substitution of Na for K significantly increases impurity scattering, with ρ(Tc) rising from 0.2 to 2.2 μΩ cm, and leads to a suppression of Tc from 3.5 to 2.8 K. At the same time, a close to T-linear Δλ(T) in pure samples changes to almost T2 in the substituted samples. The behavior never becomes exponential as expected for the accidental nodes, as opposed to T2 dependence in superconductors with symmetry imposed line nodes. The superfluid density in the full temperature range follows a simple clean and dirty d-wave dependence, for pure and substituted samples, respectively. This result contradicts suggestions of multiband scenarios with strongly different gap structure on four sheets of the Fermi surface.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Propagation and attenuation of sound in one-dimensional quantum liquids

At low temperatures, elementary excitations of a one-dimensional quantum liquid form a gas that can move as a whole with respect to the center of mass of the system. This internal motion attenuates at exponentially long time scales. As a result, in a broad range of frequencies, the liquid is described by two-fluid hydrodynamics, and the system supports two sound modes. The physical nature of the two sounds depends on whether the particles forming the quantum liquid have a spin degree of freedom. For particles with spin, the modes are analogous to the first and second sound modes in superfluid 4 He, which are the waves of density and entropy, respectively. When dissipative processes are taken into account, we find that at low frequencies, the second sound is transformed into heat diffusion, while the first sound mode remains weakly damped and becomes the ordinary sound. In a spinless liquid, the entropy and density oscillations are strongly coupled and the resulting sound modes are hybrids of the first and second sound. As the frequency is lowered and dissipation processes become important, the crossover to a single-fluid regime occurs in two steps. First the hybrid modes transform into predominantly density and entropy waves, similar to the first and second sound, and then the density wave transforms to the ordinary sound and the entropy wave becomes a heat-diffusion mode. Lastly, we account for the dissipation due to viscosity and intrinsic thermal conductivity of the gas of excitations, which controls attenuation of the sound modes at high frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Enhancement of α -particle formation near Sn 100

The superfluid tunneling model is applied to the calculation of ground-state-to-ground-state α decay in the even-even neutron-deficient Te-Ba nuclei. Here, we show that there is a larger α-particle formation probability in nuclei of this region above 100 Sn when compared to analogous nuclei above 208 Pb. This is consistent with the expected systematic variation of the pair gap Δ as a function of mass number. Finally, the recent experimental data on the α decay of the N=Z nuclei 104 Te and 108 Xe are shown to leave open the possibility of enhanced α-particle formation involving nucleon correlations beyond the standard treatment of like-nucleon pairing, which is the mechanism suggested as underlying "superallowed" α decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Structure factors of the unitary gas under supernova conditions

Here, we compute with lattice field theory the vector and axial static structure factors of the unitary gas for arbitrary temperature above the superfluid transition and for fugacities 0.1 < $\mathcal{z}$ < 1.0 . Using the lattice formulation, we calculate beyond the validity of the virial expansion, a commonly used technique in many-body physics. We find qualitative differences in the behavior of the structure factors at high fugacity compared to the predictions of the virial expansion. Due to the large scattering length of neutrons, we expect the unitary gas structure factors to approximate the structure factors of hot neutron gases, and we therefore expect our calculations to be useful in supernova simulations, where neutron gas structure factors are needed to compute in-medium neutrino-neutron scattering rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Pure quantum extension of the semiclassical Boltzmann-Uehling-Uhlenbeck equation

The Boltzmann equation is the traditional framework in which one extends the time-dependent mean field classical description of a many-body system to include the effect of particle-particle collisions in an approximate manner. A semiclassical extension of this approach to quantum many-body systems was suggested by Uehling and Uhlenbeck in 1933 for both Fermi and Bose statistics, and many further developments of this approach are known as the Boltzmann-Uehling-Uhlenbeck (BUU) equations. In this paper I introduce a pure quantum version of the BUU type of equations, which is mathematically equivalent to a generalized time-dependent density functional theory extended to superfluid systems. As expected, during nonequilibrium processes the quantum Boltzmann one-body entropy increases during evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Role of quasiparticle structure in α decay of superheavy nuclei

Here, we use the superfluid tunneling model (STM) to calculate the half-lives of α decays of odd-A and odd-odd superheavy nuclei (SHN) with Z ≥ 100 and A ≥ 250. The experimental data are reproduced to accuracies comparable to other contemporary models of the α decay of the SHN. We then apply the STM to examine the influence of the quasiparticle structure on the properties of the chains of α decays arising from odd- A SHN. Using representative calculations of the one-quasi-particle structure of odd-Z and odd-N SHN, we illustrate the important role played by high-Ω orbitals in defining the observed characteristics of the α-decay chains. We point out sources of possible ambiguity that may arise due to the quasiparticle structure when assigning α-decay chains to specific SHN.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measures of complexity and entanglement in many-fermion systems

There is no unique and widely accepted definition of the complexity measure (CM) of a many-fermion wave function in the presence of interactions. The simplest many-fermion wave function is a Slater determinant. In shell-model or configuration interaction (CI) and other related methods, the state is represented as a superposition of a large number of Slater determinants, which in the case of CI calculations reaches about 20 billion terms [Johnson, arXiv:1809.07869]. Although in practice this number has been used as a CM for decades, it is ill defined: it is not unique, and it depends on the particular type and the number of single-particle wave functions used to construct the Slater determinants. Further, the canonical wave functions and/or natural orbitals [Löwdin, Adv. Phys. 5, 1 (1956); Löwdin and Shull, Phys. Rev. 101, 1730 (1956); Bardeen et al., Phys. Rev. 108, 1175 (1957); N. N. Bogoljubov, Il Nuovo Cimento 7, 794 (1958); Valatin, Il Nuovo Cimento 7, 843 (1958); de Gennes, Superconductivity of Metals and Alloys (CRC Press, Boca Raton, FL, 1999); Ring and Schuck, The Nuclear Many-Body Problem, 1st ed. (Springer-Verlag, Berlin, 2004)] and their corresponding occupation probabilities are intrinsic properties of any many-body wave function, irrespective of the representation, and they provide a unique solution to characterize the CM. The non-negative orbital entanglement entropy, which vanishes for a Slater determinant, provides the simplest CM, while a more complete measure of complexity is the entanglement spectrum. We illustrate these aspects in the case of a complex nonequilibrium time-dependent process, induced nuclear fission described within a real-time density functional theory framework extended to superfluid systems, which can describe simultaneously the long-range and the short-range correlations between fermions. The orbital entanglement entropy of the fissioning nucleus illustrates the localization mechanism of the many-body wave function in Fock and/or Hilbert space. The (minimal) number of Slater determinants required to represent such a complex many-body wave function with a well-defined number of particles in the case presented here is about 10 500 . The realistic case of the highly nonequilibrium nuclear fission process illustrated here is equivalent to a system of 23.328×10 9 interacting quantum spin-1/2 particles, a very large system for the study of quantum entanglement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantum simulations of SO(5) many-fermion systems using qudits

The structure and dynamics of many-body systems are the result of a delicate interplay between underlying interactions. Fermionic pairing, for example, plays a central role in various physical systems, ranging from condensed matter to nuclear systems, where it can lead to collective phenomena such as superconductivity and superfluidity. In atomic nuclei, the interplay between pairing and particle-hole interactions leads to a high degree of complexity and intricate entanglement structures. Despite this apparent complexity, symmetries emerge and manifest themselves in observable regular patterns. These symmetries and their breakings have long been used to determine relevant degrees of freedom and simplify classical descriptions of many-body systems. Here, this work explores the potential utility of quantum computers with arrays of qudits in simulating interacting fermionic systems, when the qudits can naturally map the relevant degrees of freedom determined by an underlying symmetry group. The Agassi model of fermions interacting via particle-hole and pairing interactions is based on an underlying so(5) algebra. Such systems can intuitively be partitioned into pairs of modes with five basis states, which thus naturally map to arrays of d = 5 qudits (qu5its). Classical noiseless simulations of the time evolution of systems with up to twelve qu5its are performed, by implementing quantum circuits that are developed herein, using PYTHON codes invoking Google's CIRQ software. The resource requirements of the qu5it circuits are analyzed and compared with two different mappings to qubit systems: a physics-aware Jordan-Wigner mapping requiring four qubits per mode pair and a state-to-state mapping requiring three qubits per mode pair. While the dimensionality of Hilbert spaces in mappings to qu5it systems are less than those for the corresponding qubit systems, the number of entangling operations, depending on the available hardware, can either be greater or smaller than for the physics-aware Jordan-Wigner mapping. The state-to-state mapping, while having a smaller Hilbert space than Jordan-Wigner mappings, appears to be the least efficient in gate counts. Further, a previously unknown sign problem has been identified from Trotterization errors in time evolving high-energy excitations. There appear to be advantages in employing quantum computers with arrays of qudits to perform simulations of many-body dynamics that exploit the role of underlying symmetries, specifically in lowering the required quantum resources and in reducing anticipated errors that take the simulation out of the physical space. If the necessary entangling gates are not directly supported by the hardware, physics-aware mappings to qubits may, however, be advantageous for other aspects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Neutron-skin uncertainties of Skyrme energy density functionals

Neutron-skin thickness is an excellent indicator of isovector properties of atomic nuclei. As such, it correlates strongly with observables in finite nuclei that depend on neutron-to-proton imbalance and the nuclear symmetry energy that characterizes the equation of state of neutron-rich matter. A rich worldwide experimental program involving studies with rare isotopes, parity-violating electron scattering, and astronomical observations is devoted to pinning down the isovector sector of nuclear models. We assess the theoretical systematic and statistical uncertainties of neutron-skin thickness and relate them to the equation of state of nuclear matter, and in particular to nuclear symmetry energy parameters. We use the nuclear superfluid density functional theory with several Skyrme energy density functionals and density dependent pairing. To evaluate statistical errors and their budget, we employ the statistical covariance technique. We find that the errors on neutron skin increase with neutron excess. Statistical errors due to uncertain coupling constants of the density functional are found to be larger than systematic errors, the latter not exceeding 0.06 fm in most neutron-rich nuclei across the nuclear landscape. The single major source of uncertainty is the poorly determined slope $L$ of the symmetry energy that parametrizes its density dependence. To provide essential constraints on the symmetry energy of the nuclear energy density functional, next-generation measurements of neutron skins are required to deliver precision better than 0.06 fm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Pairing-induced speedup of nuclear spontaneous fission

Collective inertia is strongly influenced at the level crossing at which the quantum system changes its microscopic configuration diabatically. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the effect of these configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of 264 Fm and 240 Pu using the state-of-the-art self-consistent framework. We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM* and a density-dependent pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action principle in a four-dimensional collective space of shape and pairing coordinates. Pairing correlations are enhanced along the minimum-action fission path. For the symmetric fission of 264 Fm, where the effect of triaxiality on the fission barrier is large, the geometry of the fission pathway in the space of the shape degrees of freedom is weakly impacted by pairing. This is not the case for 240 Pu, where pairing fluctuations restore the axial symmetry of the dynamic fission trajectory. The minimum-action fission path is strongly impacted by nucleonic pairing. In some cases, the dynamical coupling between shape and pairing degrees of freedom can lead to a dramatic departure from the static picture. As a result, in the dynamical description of nuclear fission, particle-particle correlations should be considered on the same footing as those associated with shape degrees of freedom.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Using neutron star observations to determine crust thicknesses, moments of inertia, and tidal deformabilities

Here, we perform a systematic assessment of models for the equation of state (EOS) of dense matter in the context of recent neutron star mass and radius measurements to obtain a broad picture of the structure of neutron stars. We demonstrate that currently available neutron star mass and radius measurements provide strong constraints on moments of inertia, tidal deformabilities, and crust thicknesses. Moreover, a measurement of the moment of inertia of PSR J0737-3039A with a 10% error, without any other information from observations, will constrain the EOS over a range of densities to within 50% 60%. We find tidal deformabilities between 0.6 and 6 1036 g cm 2 s 2 (to 95% confidence) for M = 1.4 M ⊙ , and any measurement which constrains this range will provide an important constraint on dense matter. The crustal fraction of the moment of inertia can be as large as 10% for M = 1.4 M ⊙ permitting crusts to have a large enough moment of inertia reservoir to explain glitches in the Vela pulsar even with a large amount of superfluid entrainment. Finally, due to the uncertainty in the equation of state, there is at least a 40% variation in the thickness of the crust for a fixed mass and radius, which implies that future simulations of the cooling of a neutron star crust which has been heated by accretion will need to take this variation into account.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗