Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “GROUND STATES”

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.

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

At least 739 records · Page 41

Thermal hybrid exchange-correlation density functional for improving the description of warm dense matter

Finite-temperature density functional theory (FT-DFT) has become a standard tool for first principles calculations of the properties of warm dense matter (WDM) relevant to high-energy density physics (HEDP) applications. In this work we introduce theoretical grounds of thermal hybrid exchange-correlation (XC) functionals within the generalized Mermin-Kohn-Sham scheme for an improved description of WDM. Building on the previously developed KSDT (Karasiev-Sjostrom-Dufty-Trickey) [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)] local density approximation (LDA) and the KDT16 (Karasiev-Dufty-Trickey 2016) [Karasiev et al., Phys. Rev. Lett. 120, 076402 (2018)] generalized-gradient approximation (GGA) XC free-energy density functionals, we construct a new thermal hybrid XC functional, referred to here as KDT0. The KDT0 model at low temperature reduces to the popular ground-state PBE0 hybrid due to properties of the used KDT16 density functional approximation. Application to static calculations of electronic band gap and band structure at a wide range of temperatures for various systems of interest to HEDP show that KDT0 provides a significant improvement to the lower LDA and GGA rung XC functionals and to the ground-state PBE0 hybrid.

36 MATERIALS SCIENCE↗

Spin excitations in the frustrated triangular lattice antiferromagnet NaYbO 2

In this work, we present a neutron scattering-based study of magnetic excitations and magnetic order in NaYbO 2 under the application of an external magnetic field. The crystal electric field-split J = 7=2 multiplet structure is determined, revealing a mixed |m z $\rangle$ ground state doublet and is consistent with a recent report Ding et al. Our measurements further suggest signatures of exchange effects in the crystal field spectrum, manifested by a small splitting in energy of the transition into the first excited doublet. The field-dependence of the low-energy magnetic excitations across the transition from the quantum disordered ground state into the fluctuation driven ordered regime is analyzed. Signs of a first-order phase transition into a noncollinear ordered state are revealed at the upper-field phase boundary of the ordered regime, and higher order magnon scattering, suggestive of strong magnon-magnon interactions, is resolved within the previously reported up-up-down phase. Our results reveal a complex phase diagram of field-induced order and spin excitations within NaYbO 2 and demonstrate the dominant role of quantum fluctuations cross a broad range of fields within its interlayer frustrated triangular lattice.

36 MATERIALS SCIENCE↗

Particle-Hole Asymmetric Ferromagnetism and Spin Textures in the Triangular Hubbard-Hofstadter Model

In a lattice model subject to a perpendicular magnetic field, when the lattice constant is comparable to the magnetic length, one enters the “Hofstadter regime,” where continuum Landau levels become fractal magnetic Bloch bands. Strong mixing between bands alters the nature of the resulting quantum phases compared to the continuum limit; lattice potential, magnetic field, and Coulomb interaction must be treated on equal footing. Using determinant quantum Monte Carlo and density matrix renormalization group techniques, we study this regime numerically in the context of the Hubbard-Hofstadter model on a triangular lattice. In the field-filling phase diagram, we find a broad wedge-shaped region of ferromagnetic ground states for filling factor ν ≤ 1 , bounded below by filling factor ν = 1 and bounded above by half filling the lowest Hofstadter subband. We observe signatures of SU(2) quantum Hall ferromagnetism at filling factors ν = 1 and ν = 3 . The phases near ν = 1 are particle-hole asymmetric, and we observe a rapid decrease in ground-state spin polarization consistent with the formation of skyrmions only on the electron doped side. At large fields, above the ferromagnetic wedge, we observe a low-spin metallic region with spin correlations peaked at small momenta. We argue that the phenomenology of this region likely results from exchange interaction mixing fractal Hofstadter subbands. The phase diagram derived beyond the continuum limit points to a rich landscape to explore interaction effects in magnetic Bloch bands. Published by the American Physical Society 2024

Ding, Jixun K.↗

Electrical and Magnetic Properties of FeGa 3 with Antisite Disorder

We investigated the electronic and magnetic ground states of the cage compound FeGa 3 under the presence of Fe antisite disorder (namely as Fe 0.258 Ga 0.742 ) by x-ray diffraction (XRD), Mössbauer spectroscopy (MS), magnetization and electrical resistivity. Our results show that approximately 4.5 (5)% Fe antisite occupying one of the two non-equivalent Ga sites changes significantly the electronic and magnetic ground states of the pristine compound. We uncover that Fe 0.258 Ga 0.742 undergoes two magnetic transitions, T 1 ≈ 60 K and T 2 ≈ 15 K, the latter associated with the suppression of semiconducting behavior. We focus our discussion on the role that in-gap impurity states and spin disorder play across semiconducting-metal and paramagnetic-magnetic transitions.

36 MATERIALS SCIENCE↗

Decay spectroscopy at the two-proton drip line: Radioactivity of the new nuclides 160 Os and 156 W

The radioactivity of $^{160}_{76}$Os 84 and $^{156}_{74}$W 82 that lie at the two-proton drip line has been measured in an experiment performed at the Accelerator Laboratory of the University of Jyväskylä. The 160 Os nuclei were produced using fusion-evaporation reactions induced by a beam of 310 MeV 58 Ni ions bombarding a 106 Cd target. The 160 Os ions were separated in flight using the recoil separator MARA and implanted into a double-sided silicon strip detector, which was used to measure their decays. The α decays of the ground state of 160 Os (Ε α = 7092(15) keV, t 1/2 = 97$^{+97}_{-32}$ μs) and its isomeric state (Ε α = 8890(10) keV, t 1/2 = 41$^{+15}_{-9}$ μs) were measured, allowing the excitation energy of the isomer to be determined as 1844(18) keV. These α-decay properties and the excitation energy of the isomer are compared with systematics. The α decays were correlated with subsequent decays to investigate the β decays of the ground state of 156 W, revealing that unlike its isotones, both low-lying isomers were populated in its daughter nuclide, 156 Ta. An improved value for the half-life of the proton-decaying high-spin isomeric state in $^{156}_{73}$Ta 83 of 333$^{+25}_{-22}$ ms was obtained in a separate experiment using the same experimental systems with a 102 Pd target. This result was employed to improve the precision of the half-life determined for 156 W, which was measured as 157$^{+57}_{-34}$ ms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Photo response of 164 Dy

Background: Little data is available for the pygmy dipole resonance (PDR) in axially deformed nuclei. Photon-scattering experiments are complicated by high level densities in the PDR region and the small energy difference of transitions to the ground state and to excited states. Purpose: In this work, we report on an experimental study of the low-energy dipole strength distribution of the well-deformed nucleus 164 Dy between 4.0–7.7 MeV. Methods: The low-lying photoresponse of 164 Dy has been investigated using the method of nuclear resonance fluorescence using a quasimonochromatic linearly polarized $\textit{γ}$-ray beam in the energy range of 4.0–7.7 MeV in steps of 0.2 MeV. Results: For excitation energies between 4 MeV and 5 MeV, sufficiently low level densities allow for the identification of individual states, including level energies, reduced transition widths and branching ratios. Energy-averaged mean decay branching ratios, mean population ratios and partial absorption cross sections were determined above 5 MeV up to the neutron-separation threshold at 7.7 MeV. A Lorentzian-shaped enhancement of the partial photo absorption cross section followed by decays back to the ground-state band is found at 6.10(5) MeV with a width of 0.77(23) MeV. A comparison with results from complementary measurements is performed using the framework of the statistical model. Conclusions: The experimental results for the mean population ratios deviate systematically from the statistical model simulation by 30(6)%. However, they are in agreement within one standard deviation of the simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Second-Order Josephson Effect in Excitonic Insulators

We show that in electron-hole bilayers with excitonic orders arising from conduction and valence bands formed by atomic orbitals that have different parities, nonzero interlayer tunneling leads to a second-order Josephson effect. This means the interlayer electrical current is related to the phase of the excitonic order parameter as J = J c sin 2θ instead of J = J c sin θ and that the system has two degenerate ground states at θ = 0, π that can be switched by an interlayer voltage pulse. When generalized to a three dimensional stack of alternating electron-hole planes or a two dimensional stack of chains, the ac Josephson effect implies that electric field pulses perpendicular to the layers and chains can steer the order parameter phase between the two degenerate ground states, making these devices ultrafast memories. Here, the order parameter steering also applies to the excitonic insulator candidate Ta 2 NiSe 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shining a Light on the Nucleus: Photonuclear Measurements from Correlations to Charmonium

The atomic nucleus is comprised of a collection of nucleons (protons and neutrons), which are bound together by the nucleon-nucleon (NN) interaction that originates from Quantum Chromodynamics (QCD). While most nucleons experience the force from the rest of the nu- cleus as a single net “mean-field” interaction that binds them relatively weakly, a small but impactful fraction are in configurations called “Short-Range Correlations” (SRCs), in which they pair with another nucleon at very short distance to experience strong interactions, sig- nificant binding, and high momentum. Hard, high-energy scattering reactions in which an SRC pair is broken apart, knocking both nucleons out of the nucleus, provide the ability to probe the details of these SRC configurations in the nucleus. Previous measurements have had limited statistics and kinematic reach, and the theoretical tools available were in- sufficient to draw quantitative conclusions regarding the ground-state properties of SRCs. The studies described in this thesis represent the first global analysis of SRC breakup mea- surements in order to present a unified picture of SRCs within light- to medium-size nuclei. This includes the use of a novel theoretical framework, the Generalized Contact Formalism, which connects scattering cross-section measurements and the ground-state properties of the SRC pair, to quantitatively interpret a variety of electron-scattering measurements. This is brought to culmination by a report on the first measurement of SRC pairs via the use of hard meson photoproduction reactions, which, despite differing significantly from the me- chanics of electron-scattering, is well-described under a common framework, pointing to a consistent and universal picture of SRCs across reaction channels. I also report on the first measurement of J/¿ photoproduction in the near- and below-threshold kinematic region, giving the first insights to the gluonic structure of bound nucleons in the large-x “valence” region and providing constraints on a gluonic “EMC effect”. In addition to these studies, I provide details on the search for Primakoff production of axion-like particles using the pho- toproduction data taken for this experiment, and I conclude by describing studies of nucleon spin structure measurements that will be performed at the forthcoming U.S. Electron-Ion Collider.

Pybus, Jackson↗

Quantum approximate optimization of the long-range Ising model with a trapped-ion quantum simulator

Quantum computers and simulators may offer significant advantages over their classical counterparts, providing insights into quantum many-body systems and possibly improving performance for solving exponentially hard problems, such as optimization and satisfiability. Here, we report the implementation of a low-depth Quantum Approximate Optimization Algorithm (QAOA) using an analog quantum simulator. We estimate the ground-state energy of the Transverse Field Ising Model with long-range interactions with tunable range, and we optimize the corresponding combinatorial classical problem by sampling the QAOA output with high-fidelity, single-shot, individual qubit measurements. We execute the algorithm with both an exhaustive search and closed-loop optimization of the variational parameters, approximating the ground-state energy with up to 40 trapped-ion qubits. We benchmark the experiment with bootstrapping heuristic methods scaling polynomially with the system size. We observe, in agreement with numerics, that the QAOA performance does not degrade significantly as we scale up the system size and that the runtime is approximately independent from the number of qubits. We finally give a comprehensive analysis of the errors occurring in our system, a crucial step in the path forward toward the application of the QAOA to more general problem instances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Thermally superactive artificial kagome spin ice structures obtained with the interfacial Dzyaloshinskii-Moriya interaction

Artificial kagome spin ice exhibits exotic magnetic correlations driven by a combination of geometric frustration and dipolar interactions that, at low-enough temperature, can result in ordered phases. This order, whether it is the ground state of several kagome rings, or the theoretically predicted long-range order of an extended array, has yet to be experimentally observed. By introducing an interfacial Dzyaloshinskii-Moriya interaction, we are able to reduce the blocking temperature of the individual nanomagnets, allowing a system of 30 kagome nanomagnets to explore its vast manifold of microstates and find its ground state. Furthermore, the extracted magnetic correlations in an extended artificial kagome spin ice are found to exhibit quantitative signatures of long-range charge order, providing evidence of the theoretically predicted continuous phase transition to the charge-ordered state. The significant lowering of the blocking temperature in nanomagnets is important for the exploitation of superparamagnetism in artificial spin systems and devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evolution of magnetic field induced ordering in the layered quantum Heisenberg triangular-lattice antiferromagnet Ba 3 CoSb 2 O 9

Quantum fluctuations in the effective spin-12 layered triangular-lattice quantum Heisenberg antiferromagnet Ba 3 CoSb 2 O 9 lift the classical degeneracy of the antiferromagnetic ground state in magnetic field, producing a series of novel spin structures for magnetic fields applied within the crystallographic ab plane, including a celebrated collinear “up-up-down” spin ordering with magnetization equal to 1/3 of the saturation magnetization over an extended field range. Theoretically unresolved, however, are the effects of interlayer antiferromagnetic coupling and transverse magnetic fields on the ground states of this system. Additional magnetic field induced phase transitions are theoretically expected and in some cases have been experimentally observed, but details regarding their number, location, and physical character appear inconsistent with the predictions of existing models. Conversely, an absence of experimental measurements as a function of magnetic-field orientation has left other key predictions of these models untested. To address these issues, in this study we have used specific heat, neutron diffraction, thermal conductivity, and magnetic torque measurements to map out the phase diagram as a function of magnetic field intensity and orientation relative to the crystallographic ab plane. For H||ab, we have discovered an additional magnetic field induced phase transition at low temperature and an unexpected tetracritical point in the high-field phase diagram, which coupled with the apparent second-order nature of the phase transitions eliminates several theoretically proposed spin structures for the high-field phases. Our calorimetric measurements as a function of magnetic field orientation are in general agreement with theory for field-orientation angles close to plane parallel (H||a) but diverge at angles near plane perpendicular; a predicted convergence of two phase boundaries at finite angle and a corresponding change in the order of the field induced phase transition are not observed experimentally. Our results emphasize the role of interlayer coupling in selecting and stabilizing field induced phases, provide guidance on the nature of the magnetic order in each phase, and reveal the need for new physics to account for the nature of magnetic ordering in this archetypal two-dimensional spin-12 triangular-lattice quantum Heisenberg antiferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic Structure Theory and Novel Materials

This grant supported research on electronic structure and materials theory, with focus on three main issues: (i) novel techniques to deal with correlation in the electronic ground-state, (ii) topological materials, (iii) the phase diagram of lattice spin models. Regarding (i), we applied to the homogeneous electron liquid an approach that we previously developed in the context of molecular systems. In this scheme the electronic occupation probabilities and the natural spin orbitals are used to construct an approximate two-body density matrix for the electronic ground-state. Regarding (ii) we used standard electronic structure methods based on density functional theory to model topological materials and interpret experimental observations. Finally, regarding (iii) we further developed a numerical approach to compute the renormalized couplings within real space renormalization group theory in the context of lattice spin models. The main findings were the following. (i) We found that with our approximate two-body density matrix, which works well for small molecules, is not sufficiently accurate for condensed phase systems. Missing a systematic way of improving on the adopted approximations, we decided not to pursue this approach. (ii) We performed two studies. In one, we investigated the influence of Te defects on the topological properties of a WTe2 monolayer, finding that while Te vacancies, even in modest concentration, destroy the topological character, Te adatoms do not, consistent with a recent experiment. In another study, we predicted Weyl semimetal character and strong anomalous Hall effect in the Heusler compensated ferrimagnet Ti2MnAl. (iii) We developed a new Monte Carlo method to do real space renormalization group calculations for lattice spin models. We subsequently extended the scheme to deal with lattice spin models in presence of quenched disorder, finding that the approach can distinguish systems with finite and strong disorder. In the finite disorder case, the method allows one to find with good approximation the critical coupling distribution and the critical exponents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Charge radii in covariant density functional theory: A global view

A systematic global investigation of differential charge radii has been performed within the CDFT framework for the first time. Theoretical results obtained with conventional covariant energy density functionals and the separable pairing interaction of Tian et al. [Phys. Lett. B 676, 44 (2009)] are compared with experimental differential charge radii in the regions of the nuclear chart in which available experimental data crosses the neutron shell closures at N=28,50,82, and 126. The analysis of absolute differential radii of different isotopic chains and their relative properties indicate clearly that such properties are reasonably well described in model calculations in the cases when the mean-field approximation is justified. However, while the observed clusterization of differential charge radii of different isotopic chains is well described above the N=50 and N=126 shell closures, it is more difficult to reproduce it above the N=28 and N=82 shell closures because of possible deficiencies in the underlying single-particle structure. The impact of the latter has been evaluated for spherical shapes and it was shown that the relative energies of the single-particle states and the patterns of their occupation with increasing neutron number have an appreciable impact on the evolution of the δ$\langle$r2$\rangle$N,N' values. These factors also limit the predictive power of model calculations in the regions of high densities of the single-particle states of different origin. It is shown that the kinks in the charge radii at neutron shell closures are due to the underlying single-particle structure and due to weakening or collapse of pairing at these closures. The regions of the nuclear chart in which the correlations beyond mean field are expected to have an impact on charge radii are indicated; the analysis shows that the assignment of a calculated excited prolate minimum to the experimental ground state allows us to understand the trends of the evolution of differential charge radii with neutron number in many cases of shape coexistence even at the mean-field level. It is usually assumed that pairing is a dominant contributor to odd-even staggering (OES) in charge radii. Our analysis paints a more complicated picture. It suggests a new mechanism in which the fragmentation of the single-particle content of the ground state in odd-mass nuclei due to particle-vibration coupling provides a significant contribution to OES in charge radii.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hidden quantum criticality and entanglement in quench dynamics

Entanglement exhibits universal behavior near the ground-state critical point where correlations are long ranged and the thermodynamic entropy is vanishing. On the other hand, a quantum quench imparts extensive energy and results in a build up of entropy, hence no critical behavior is expected at long times. In this work, we present a new paradigm in the quench dynamics of integrable spin chains which exhibit a ground-state order-disorder phase transition at a critical line. Specifically, we consider a quench along the critical line which displays a volume-law behavior of the entropy and exponentially decaying correlations; however, we show that quantum criticality is hidden in higher-order correlations and becomes manifest via measures such as the mutual information and logarithmic negativity. Furthermore, we showcase the scale invariance of the Rényi mutual information between disjoint regions as further evidence for genuine critical behavior. We attribute the emergent quantum criticality to the soft mode not getting excited in spite of the quench. Moreover, the results presented here are universal to models whose low-energy or long-wavelength dynamics are well described by a free-fermionic field theory. Our results are amenable to an experimental realization on different quantum simulator platforms, particularly the Rydberg simulators. Published by the American Physical Society 2024

Paul, Sanku↗

Composition dependence of bulk properties in the Co-intercalated transition metal dichalcogenide $\mathrm{Co_{1/3}TaS_2}$

Spontaneous Hall conductivity has recently been reported in the triangular lattice antiferromagnet Co 1/3 TaS 2 under a zero magnetic field. This phenomenon originates from the distinctive noncoplanar triple-Q magnetic ground state, possessing uniform real-space Berry curvature characterized by scalar spin chirality. We investigated the physical properties of Co 1/3 TaS 2 by judiciously controlling the composition, revealing a drastic change in its bulk properties, even by slight variations in cobalt composition, despite the same crystal structure. For 0.299≤x≤0.325, Co x TaS 2 keeps all the characteristics of the ground state consistent with the previous studies—two antiferromagnetic phase transitions at T N1 and T N2 ( N1 ), a large spontaneous Hall conductivity [σ xy (H=0)], and a weak ferromagnetic moment along the c axis. However, samples with x≥0.330 exhibit distinct bulk properties, including the absence of both σ xy (H=0) and the weak ferromagnetic moment. Our neutron diffraction data reveal that Co x TaS 2 with x≥0.330 develops coplanar helical magnetic order with q m1 =(1/3, 0, 0). This is entirely different from what has been seen in x≤0.325, explaining the observed composition dependence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Feedback-based quantum algorithm inspired by counterdiabatic driving

In recent quantum algorithmic developments, a feedback-based approach has shown promise for preparing quantum many-body system ground states and solving combinatorial optimization problems. This method utilizes quantum Lyapunov control to iteratively construct quantum circuits. Here, we propose a substantial enhancement by implementing a protocol that uses ideas from quantum Lyapunov control and the counterdiabatic driving protocol, a key concept from quantum adiabaticity. Our approach introduces an additional control field inspired by counterdiabatic driving. We apply our algorithm to prepare ground states in one-dimensional quantum Ising spin chains. Comprehensive simulations demonstrate a remarkable acceleration in population transfer to low-energy states within a significantly reduced time frame compared to conventional feedback-based quantum algorithms. This acceleration translates to a reduced quantum circuit depth, a critical metric for potential quantum computer implementation. We validate our algorithm on the IBM cloud computer, highlighting its efficacy in expediting quantum computations for many-body systems and combinatorial optimization problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strong-coupling expansion of multi-band interacting models: Mapping onto the transverse-field J 1 - J 2 Ising model

We investigate a class of two-dimensional two-band microscopic models in which the inter-band repulsive interactions play the dominant role. We first demonstrate three different schemes of constraining the ratios between the three types of inter-band interactions – density-density, spin exchange, and pair-hopping – that render the model free of the fermionic sign-problem for any filling and, consequently, amenable to efficient Quantum Monte Carlo simulations. We then study the behavior of these sign-problem-free models in the strong-coupling regime. In the cases where spin-rotational invariance is preserved or lowered to a planar symmetry, the strong-coupling ground state is a quantum paramagnet. However, in the case where there is only a residual Ising symmetry, the strong-coupling expansion maps onto the transverse-field J 1 - J 2 Ising model, whose pseudospins are associated with local inter-band magnetic order. We show that by varying the band structure parameters within a reasonable range of values, a variety of ground states and quantum critical points can be accessed in the strong-coupling regime, some of which are not realized in the weak-coupling regime. Here, we compare these results with the case of the single-band Hubbard model, where only intra-band repulsion is present, and whose strong-coupling behavior is captured by a simple Heisenberg model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Antiferromagnetic order in Co-doped Fe 5 GeTe 2 probed by resonant magnetic x-ray scattering

The quasi-two-dimensional van der Waals magnet Fe 5-δ GeTe 2 has emerged as a promising platform for electronic and spintronic functionalities at room temperature, owing to its large ferromagnetic ordering temperature T C ≈ 315 K. Interestingly, by cobalt (Co) substitution of iron in F5GT, i.e., (Fe 1-x Co x ) 5-δ GeTe 2 (Co-F5GT), not only can its magnetic transition temperature be further enhanced, but the magnetic and structural ground states can also be tuned. Specifically, an antiferromagnetic (AFM) order is induced beyond the Co doping level x ≥ 0.4. Here, in this work, we investigate the magnetic properties of a Co-F5GT single crystal at x = 0.45(1), by utilizing the element-specific, resonant magnetic x-ray scattering technique. Our study reveals an A-type, Ising-like AFM ground state, with a transition temperature T N ≈ 340 K. In addition, our work unveils an important contribution from Co magnetic moments to the magnetic order. The application of the in-plane magnetic fields gradually polarizes the spin moments along the field direction, but without inducing incommensurate spin texture(s).

36 MATERIALS SCIENCE↗