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At least 703 records · Page 39

Freely jointed chain models with extensible links

We report analytical relations for the mechanical response of single polymer chains are valuable for modeling purposes, on both the molecular and the continuum scale. These relations can be obtained using statistical thermodynamics and an idealized single-chain model, such as the freely jointed chain model. To include bond stretching, the rigid links in the freely jointed chain model can be made extensible, but this almost always renders the model analytically intractable. Here, an asymptotically correct statistical thermodynamic theory is used to develop analytic approximations for the single-chain mechanical response of this model. The accuracy of these approximations is demonstrated using several link potential energy functions. This approach can be applied to other single-chain models, and to molecular stretching in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Semiclassical theory of bipolaronic superconductivity in a bond-modulated electron-phonon model

We analyze the transition temperature T c of bipolaronic superconductivity in a bond Su-Schrieffer-Heeger (bond-SSH) model—also known as a bond Peierls model—where the electron hoppings are modulated by bond phonons. Using a semiclassical instanton approximation justifiable in the adiabatic limit of slow phonons, we find that the bipolaron mass is only weakly enhanced, in contrast to the typical large mass enhancement found in standard (Holstein) electron-phonon models. Specifically, in the strong coupling limit, the bipolarons can freely slide within a degenerate manifold rather than become self-trapped. A gas of these bipolarons can undergo a superfluid transition at a critical temperature for which we obtain an upper bound. We find that this bound is exponentially larger than that in the Holstein model. In conclusion, our study provides an analytical understanding of the mechanism behind the high-T c bipolaronic superconductivity numerically observed in [Phys. Rev. X 13, 011010 (2023)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic Susceptibility and Spin Fluctuations in the Nonsuperconducting Phase of PuCoGa{sub 5}

Within the Hubbard model with allowance for Hund’s and spin–orbit interactions, the concepts of thermal spin fluctuations in a strongly correlated system of f electrons in PuCoGa{sub 5} are developed. The effect of fluctuations of the spin magnetic moments of different orbitals on the spin–orbit splitting of the f electron spectrum is considered. The mean square magnetic moment obtained in this case makes it possible to describe the observed temperature dependence of the magnetic susceptibility (χ(T)) of PuCoGa{sub 5} near and above the electron pairing temperature. Estimates of the radius of spin correlations correspond in order of magnitude to the sizes of Cooper pairs in superconductors with the d symmetry of the order parameter. In the high-temperature region, the magnetic susceptibility obeys the Curie–Weiss law. With decreasing temperature, when approaching the pairing temperature, the ferromagnetic instability is suppressed and the temperature maximum of χ(T) appears.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observing the Suppression of Superconductivity in RbEuFe 4 As 4 by Correlated Magnetic Fluctuations

In this Letter, we describe quantitative magnetic imaging of superconducting vortices in RbEuFe 4 As 4 in order to investigate the unique interplay between the magnetic and superconducting sublattices. Our scanning Hall microscopy data reveal a pronounced suppression of the superfluid density near the magnetic ordering temperature in good qualitative agreement with a recently developed model describing the suppression of superconductivity by correlated magnetic fluctuations. Furthermore, these results indicate a pronounced exchange interaction between the superconducting and magnetic subsystems in RbEuFe 4 As 4 , with important implications for future investigations of physical phenomena arising from the interplay between them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Ising Spin-2 Model on Generalized Recursive Lattice: a Monte Carlo Study

The magnetic properties of Ising spin-2 model on recursive p-polygonal structures are studied using Monte Carlo simulations. The thermal magnetization and magnetic susceptibility of recursive 1-, 2-, 3-, and 4-polygonal structures have been terminated. The variation of magnetization and magnetic susceptibility of recursive 2-polygonal structures for several external magnetic field and the variation of magnetization and magnetic susceptibility versus the crystal field and temperatures of recursive 1-, 2-, 3-, and 4-polygonal structures are given. Finally, the magnetic hysteresis cycle of recursive 1-, 2-, 3-, and 4-polygonal structures are obtained and for different temperatures with 2-polygonal structures. It is shown that the reduced transition temperature increases with increasing the p-polygonal structures and decreases with increasing the absolute value of crystal field. The magnetic coercive field increases with increasing the p-polygonal structures and decreases with increasing the temperature values. The superparamagnetism behavior is observed in our system at around reduced transition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Performance of a MQXF Nb 3 Sn Quadrupole Magnet Under Different Stress Level

In a dipole or in a quadrupole accelerator magnet, the displacement of the coil turns induced by the electromagnetic forces can cause quenches limiting the magnet performance. For this reason, an azimuthal preload is applied to avoid azimuthal movements of the coil up to the required operational current. However, several tests showed that accelerator magnets can operate with a partial preload, i.e. that coil unloading during the ramp does not prevent reaching higher currents. This issue is particularly relevant for Nb 3 Sn magnets, where the loads applied to the Nb3Sn filaments can reach the degradation limits of critical current. In order to investigate the impact of coil preload on the quench performance, the MQXFS6 short model quadrupole for the High Luminosity Upgrade was tested under an azimuthal preload at 80% of the short sample current, reaching 93% of short sample current at 1.9 K. The preload was then released to 60%, still showing ability to operate in the range of 80-85% of short sample current as required by HL-LHC project. With this lower preload, the ability of going above 90% of short sample was lost, and a significant training appeared above 85%. When the preload was restored to the original 80% value, the magnet reached with few quenches 95% of short sample (13.4 T peak field). Magnetic measurements confirm the larger movement of the coil in the case with lower preload, and agree with finite element simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cubic hastatic order in the two-channel Kondo-Heisenberg model

Materials with non-Kramers doublet ground states naturally manifest the two-channel Kondo effect, as the valence fluctuations are from a non-Kramers doublet ground state to an excited Kramers doublet. Here, the development of a heavy Fermi liquid requires a channel-symmetry-breaking spinorial hybridization that breaks both single and double time-reversal symmetry, and is known as hastatic order. Motivated by cubic Pr-based materials with $Γ$ 3 non-Kramers ground state doublets, this paper provides a survey of cubic hastatic order using the simple two-channel Kondo-Heisenberg model. Hastatic order necessarily breaks time-reversal symmetry, but the spatial arrangement of the hybridization spinor can be either uniform (ferrohastatic) or break additional lattice symmetries (antiferrohastatic). The experimental signatures of both orders are presented in detail, and include tiny conduction electron magnetic moments. Interestingly, there can be several distinct antiferrohastatic orders with the same moment pattern that break different lattice symmetries, revealing a potential experimental route to detect the spinorial nature of the hybridization. We employ an SU( N ) fermionic mean-field treatment on square and simple cubic lattices, and examine how the nature and stability of hastatic order varies as we vary the Heisenberg coupling, conduction electron density, band degeneracies, and apply both channel and spin symmetry breaking fields. In conclusion, we find that both ferrohastatic and several types of antiferrohastatic orders are stabilized in different regions of the mean-field phase diagram, and evolve differently in strain and magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quench protection for high-temperature superconductor cables using active control of current distribution

Superconducting magnets of future fusion reactors are expected to rely on composite high-temperature superconductor (HTS) cable conductors. In presently used HTS cables, current sharing between components is limited due to poorly defined contact resistances between superconducting tapes or by design. The interplay between contact and termination resistances is the defining factor for power dissipation in these cables and ultimately defines their safe operational margins. However, the current distribution between components along the composite conductor and inside its terminations is a priori unknown, and presently, no means are available to actively tune current flow distribution in real-time to improve margins of quench protection. Also, the lack of ability to electrically probe individual components makes it impossible to identify conductor damage locations within the cable. In this work, we address both problems by introducing active current control of current distribution between components using cryogenically operated metal-oxide-semiconductor-field-effect transistors (MOSFETs). We demonstrate through simulation and experiments how real-time current controls can help to drastically reduce heat dissipation in a developing hot spot in a two-conductor model system and help identify critical current degradation of individual cable components. Finally, prospects of other potential uses of MOSFET devices for improved voltage detection, AC loss-driven active quench protection, and remnant magnetization reduction in HTS magnets are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phase Diagrams and Electromagnetic Propertiesof s–wave Superconductivity of the Extended Hubbard Model with the Attractive Pair–Hopping Interaction

The characteristics of the extended Hubbard model with the pair–hopping interaction J, i.e. the Penson–Kolb–Hubbard model, are analysed for the case of attractive J (J > 0). The effects of on–site U interaction on the properties of the s–wave superconducting state and mutual stability of the superconducting s–wave and magnetic orderings are examined. The electromagnetic and thermodynamic characteristics of the s–wave superconducting phase for arbitrary particle concentration n and interactions are analysed. The system is evaluated for the case of nearest–neighbours hopping on d–dimensional hypercubic d = 2 (SQ) and d = 3 (SC) nonfrustrated lattices. For SQ lattice the effects of phase fluctuations on the properties of the superconducting state are discussed within the Kosterlitz–Thouless (KT) scenario. The KT critical temperatures T{sub KT} are calculated and compared to the T{sub c} obtained within the BCS–HFA. The Uemura type plots, T{sub KT} vs. λ{sup 2}(0), are obtained and evaluated as a function of pairing strength and concentration. The results are compared with the case of repulsive J (J < 0) pair–hopping interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optimisation of geometrical ratchets for spin-current amplification

A two-dimensional model is used to study the geometrical effects of a nonmagnetic (NM) nanowire upon a spin-polarised electron current in a lateral spin-valve structure. We found that the implemented ratchet shapes at the centre of the NM have a crucial effect on the diffusive rate for up- and down-spin electrons along the wire, which leads to the amplification of non-local spin-current signals. By using our simple model, the geometries have been optimised. The calculated spin-current signals are in good qualitative agreement with our recent experimental results [Abdullah et al., J. Phys. D: Appl. Phys. 47, 482001(FTC) (2014)]. Our model may be very useful to evaluate such a geometrical effect on spin-polarised electron transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Monte Carlo Study of the Effect of Initial States and Structural Defects on Nonequilibrium Critical Behavior of the Three-Dimensional Ising Model

The effect of various initial magnetizations m{sub 0} and structural defects the nonequilibrium critical behavior of the three-dimensional Ising model is numerically studied. Based on an analysis of the time dependence of the magnetization and the two-time dependence of the autocorrelation function and dynamic susceptibility, the significant effect of initial states on relaxation magnetizations and aging effects characterized by anomalous relaxation inhibition and correlation in the system with increasing waiting time was revealed. The fluctuation–dissipation theorem violation was studied, and the values of the limit fluctuation–dissipation ratio (FDR) are calculated. It is shown that two universality subclasses can be distinguished in the nonequilibrium critical behavior of the three-dimensional Ising model with random initial magnetization m{sub 0} These subclasses correspond to the system evolution from the high-temperature (m{sub 0} = 0) and low-temperature (m{sub 0} = 1) initial states with limit FDRs characteristic of these states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Inhomogeneous mean-field approach to collective excitations near the superfluid–Mott glass transition

Highlights: • Unconventional collective excitations across the superfluid–Mott glass transition. • Higgs mode localized in superfluid and insulating phases. • Broad uncritical amplitude response function at quantum phase transition. • Goldstone mode delocalizes in the superfluid phase. We develop an inhomogeneous quantum mean-field approach to the behavior of collective excitations across the superfluid–Mott glass quantum phase transition in two dimensions, complementing recent quantum Monte Carlo simulations (Puschmann et al. 2020). In quadratic (Gaussian) approximation, the Goldstone (phase) and Higgs (amplitude) modes completely decouple. Each is described by a disordered Bogoliubov Hamiltonian which can be solved by an inhomogeneous multi-mode Bogoliubov transformation. We find that the Higgs mode is spatially localized in both phases. The corresponding scalar spectral function shows a broad peak that is noncritical in the sense that its peak frequency does not soften but remains nonzero across the quantum phase transition. In contrast, the lowest-energy Goldstone mode delocalizes in the superfluid phase, leading to a zero-frequency spectral peak. We compare these findings to the results of the quantum Monte Carlo simulations. We also relate them to general results on the localization of bosonic excitations, and we discuss the limits and generality of our approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mathematical Model of Bubble Sloshing Dynamics for Cryogenic Liquid Helium in Orbital Spacecraft Dewar Container

A generalized mathematical model is investigated of sloshing dynamics for dewar containers, partially filled with a liquid of cryogenic superfluid helium 2, driven by both gravity gradient and jitter accelerations applicable to two types of scientific spacecrafts, which are eligible to carry out spinning motion and/or slew motion to perform scientific observations during normal spacecraft operation. Two examples are given for the Gravity Probe-B (GP-B) with spinning motion, and the Advanced X-Ray Astrophysics Facility-Spectroscopy (AXAF-S) with slew motion, which are responsible for the sloshing dynamics. Explicit mathematical expressions for the modelling of sloshing dynamics to cover these forces acting on the spacecraft fluid systems are derived. The numerical computation of sloshing dynamics will be based on the noninertial frame spacecraft bound coordinate, and we will solve the time-dependent three-dimensional formulations of partial differential equations subject to initial and boundary conditions. Explicit mathematical expressions of boundary conditions lo cover capillary force effects on the liquid-vapor interface in microgravity environments are also derived. Results of the simulations of the mathematical model are illustrated.

Hung, R. J.↗

The Influence of Long-Range Hopping on Ferromagnetism in the Hubbard Model on the Generalized Shastry-Sutherland Lattice

The projector quantum Monte-Carlo method is used to examine effects of long-range electron hopping on ferromagnetism in the Hubbard model on the generalized Shastry-Sutherland lattice. It is shown that the long-range electron hopping with the exponentially decaying hopping amplitudes t{sub ij}(α)∼e{sup −α|R{sub i}−R{sub j}|} stabilizes the ferromagnetic state for a wide range of electron hopping α, electron interactions U, and electron concentrations n above the half-filled band case n = 1. The critical value of the hopping parameter α{sub c}, below which the ferromagnetic state becomes stable, is calculated numerically and the ground-state phase diagram of the model in the n − α plane is presented for physically the most interesting case of the intermediate Coulomb interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Comparative determinant quantum Monte Carlo study of the acoustic and optical variants of the Su-Schrieffer-Heeger model

We compare the acoustic Su–Schrieffer–Heeger (SSH) model with two of its optical variants where the phonons are defined on either on the sites or bonds of the system. First, we discuss how to make fair comparisons between these models in any dimension by ensuring their dimensionless coupling λ and relevant phonon energies are the same. We then use determinant quantum Monte Carlo to perform nonperturbative and sign-problem-free simulations of all three models on one-dimensional chains at and away from half-filling. By comparing the results obtained from each model, we demonstrate that the optical and acoustic models produce near identical results within error bars for suitably chosen phonon energies and λ at half-filling. In contrast, the bond model has quantitatively different behavior due to its coupling to the q = 0 phonon mode. These differences also manifest in the total length of the chain, which shrinks for the bond model but not for the acoustic and optical models when λ ≠ 0. Furthermore, our results have important implications for quantum Monte Carlo modeling of SSH-like interactions, where these models are sometimes regarded as being interchangeable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Circuit Quantum Electrodynamics in Hyperbolic Space: From Photon Bound States to Frustrated Spin Models

Circuit quantum electrodynamics is one of the most promising platforms for efficient quantum simulation and computation. In recent groundbreaking experiments, the immense flexibility of superconducting microwave resonators was utilized to realize hyperbolic lattices that emulate quantum physics in negatively curved space. Here we investigate experimentally feasible settings in which a few superconducting qubits are coupled to a bath of photons evolving on the hyperbolic lattice. We compare our numerical results for finite lattices with analytical results for continuous hyperbolic space on the Poincaré disk. We find good agreement between the two descriptions in the long-wavelength regime. We show that photon-qubit bound states have a curvature-limited size. We propose to use a qubit as a local probe of the hyperbolic bath, for example, by measuring the relaxation dynamics of the qubit. We find that, although the boundary effects strongly impact the photonic density of states, the spectral density is well described by the continuum theory. We show that interactions between qubits are mediated by photons propagating along geodesics. We demonstrate that the photonic bath can give rise to geometrically frustrated hyperbolic quantum spin models with finite-range or exponentially decaying interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations

We introduce a database (HAB11) of electronic coupling matrix elements (H{sub ab}) for electron transfer in 11 π-conjugated organic homo-dimer cations. High-level ab inito calculations at the multireference configuration interaction MRCI+Q level of theory, n-electron valence state perturbation theory NEVPT2, and (spin-component scaled) approximate coupled cluster model (SCS)-CC2 are reported for this database to assess the performance of three DFT methods of decreasing computational cost, including constrained density functional theory (CDFT), fragment-orbital DFT (FODFT), and self-consistent charge density functional tight-binding (FODFTB). We find that the CDFT approach in combination with a modified PBE functional containing 50% Hartree-Fock exchange gives best results for absolute H{sub ab} values (mean relative unsigned error = 5.3%) and exponential distance decay constants β (4.3%). CDFT in combination with pure PBE overestimates couplings by 38.7% due to a too diffuse excess charge distribution, whereas the economic FODFT and highly cost-effective FODFTB methods underestimate couplings by 37.6% and 42.4%, respectively, due to neglect of interaction between donor and acceptor. The errors are systematic, however, and can be significantly reduced by applying a uniform scaling factor for each method. Applications to dimers outside the database, specifically rotated thiophene dimers and larger acenes up to pentacene, suggests that the same scaling procedure significantly improves the FODFT and FODFTB results for larger π-conjugated systems relevant to organic semiconductors and DNA.

74 ATOMIC AND MOLECULAR PHYSICS↗