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Results for “Hubbard parameter”

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Next generation modeling of microbial souring – Parameterization through genomic information

Biogenesis of hydrogen sulfide (H 2 S) (microbial souring) has detrimental impacts on oil production operations and can cause health and safety problems. Understanding the processes that control the rates and patterns of sulfate reduction is crucial in developing a predictive understanding of reservoir souring and associated mitigation processes. This work demonstrates an approach to utilize genomic information to constrain the biological parameters needed for modeling souring, providing a pathway for using microbial data derived from oil reservoir studies. Minimum generation times were calculated based on codon usage bias and optimal growth temperatures based on the frequency of amino acids. We show how these derived parameters can be used in a simplified multiphase reactive transport model by simulating the injection of cold (30 °C) seawater into a 70 °C reservoir, modeling the shift in sulfate reducing microorganisms (SRM) community composition, sulfate and sulfide concentrations through time and space. Finally, we explore the question of necessary model complexity by comparing results using different numbers of SRM. Simulations showed that the kinetics of a SRM community consisting of twenty-five SRM could be adequately represented by a reduced community consisting of nine SRM with parameter values derived from the mean and standard deviations of the original SRM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

An Evaluation of Different Plasticity and Failure Laws in Simulating Puncture in 7075-T651 Aluminum

In this work, various material models were studied for their ability to simulate puncture in a thin aluminum 7075-T651 plate due to low-velocity probe impact. Material models were generated by mixing and matching various work hardening laws with different failure criteria, and several hybrid material models were investigated. Finite element simulations of aluminum impact-response, based on each material model, were employed to predict the energy required for puncture and final plate tear-out geometry. Probes of different size and shape were used to impose various loading regimes, and numerical predictions were compared to experimental results from a previous study. It was found that no single combination of hardening and failure laws yielded universally accurate data, but that several material models could be used more reliably than others. Further, the importance of obtaining unique parameter-sets for work-hardening and failure criteria was illustrated.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metal-insulator transition in transition metal dichalcogenide heterobilayer moiré superlattices

Moiré superlattices formed in two-dimensional semiconductor heterobilayers provide a new realization of Hubbard model physics in which the number of electrons per effective atom can be tuned at will. Here we report on an exact diagonalization study of the electronic properties of half-filled narrow moiré bands in which correlation strengths are varied by changing twist angles or interaction strengths. We construct a phase diagram for the bilayer, identifying where the metal-insulator phase transition occurs, estimating the sizes of the charge gaps in the insulating phase, and commenting on the nature of the transition and the importance of subdominant interaction parameters.

2-dimensional systems↗
DOE OSTI2011

Collapse and revival dynamics of number-squeezed superfluids of ultracold atoms in optical lattices

Recent experiments have shown a remarkable number of collapse and revival oscillations of the matter-wave coherence of ultracold atoms in optical lattices [Will et al., Nature (London) 465, 197 (2010)]. Using a mean-field approximation to the Bose-Hubbard model, we show that the visibility of collapse and revival interference patterns reveals number squeezing of the initial superfluid state. To describe the dynamics, we use an effective Hamiltonian that incorporates the intrinsic two-body and induced three-body interactions, and we analyze in detail the resulting complex pattern of collapse and revival frequencies generated by virtual transitions to higher bands, as a function of lattice parameters and mean-atom number. Our work shows that a combined analysis of both the multiband, nonstationary dynamics in the final deep lattice and the number squeezing of the initial superfluid state explains important characteristics of optical lattice collapse and revival physics. Finally, by treating the two- and three-body interaction strengths and the coefficients describing the initial superposition of number states as free parameters in a fit to the experimental data, it should be possible to go beyond some of the limitations of our model and obtain insight into the breakdown of the mean-field theory for the initial state or the role of nonperturbative effects in the final-state dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Generalized Bose–Hubbard Hamiltonians exhibiting a complete non-Hermitian degeneracy

Highlights: • Hot topic: physics with non-Hermitian Hamiltonians. • Computer algebra used to construct new, next-to-BH models. • Degeneracy verification via variable-precision arithmetics. • Unfolding patterns at N>5 (recent problem solved). - Abstract: The method of construction of the tridiagonal and symmetric complex-matrix Hamiltonians H{sup (N)}(z) exhibiting an exceptional-point (EP) degeneracy of the Nth (i.e., maximal) order at a preselected parameter z=z{sup (EPN)}=1 is proposed and tested. In general, the implementation of the method requires the use of computer-assisted symbolic manipulations, especially at the larger matrix dimensions N. The well known PT−symmetric N-by-N-matrix Bose–Hubbard Hamiltonians as well as their recent N≤5 non-Bose–Hubbard alternatives are obtained as special solutions. Several other N≥6 non-Bose–Hubbard models H{sup (N)}(z) exhibiting the maximal EPN degeneracy are also constructed and analyzed in detail. In particular, their z−dependent, real or complex spectra of energies are displayed and discussed near as well as far from z{sup (EPN)}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Disordered Supersolids in the Extended Bose-Hubbard Model

The extended Bose-Hubbard model captures the essential properties of a wide variety of physical systems including ultracold atoms and molecules in optical lattices, Josephson junction arrays, and certain narrow band superconductors. It exhibits a rich phase diagram including a supersolid phase where a lattice solid coexists with a superfluid. We use quantum Monte Carlo to study the supersolid part of the phase diagram of the extended Bose-Hubbard model on the simple cubic lattice. We add disorder to the extended Bose-Hubbard model and find that the maximum critical temperature for the supersolid phase tends to be suppressed by disorder. But we also find a narrow parameter window in which the supersolid critical temperature is enhanced by disorder. Our results show that supersolids survive a moderate amount of spatial disorder and thermal fluctuations in the simple cubic lattice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Publisher Correction: Disordered Supersolids in the Extended Bose-Hubbard Model

The extended Bose-Hubbard model captures the essential properties of a wide variety of physical systems including ultracold atoms and molecules in optical lattices, Josephson junction arrays, and certain narrow band superconductors. It exhibits a rich phase diagram including a supersolid phase where a lattice solid coexists with a superfluid. We use quantum Monte Carlo to study the supersolid part of the phase diagram of the extended Bose-Hubbard model on the simple cubic lattice. We add disorder to the extended Bose-Hubbard model and find that the maximum critical temperature for the supersolid phase tends to be suppressed by disorder. But we also find a narrow parameter window in which the supersolid critical temperature is enhanced by disorder. Our results show that supersolids survive a moderate amount of spatial disorder and thermal fluctuations in the simple cubic lattice.

Lin, Fei↗
DOE OSTI2022

Dynamical phase transitions in the collisionless pre-thermal states of isolated quantum systems: theory and experiments

Abstract We overview the concept of dynamical phase transitions (DPTs) in isolated quantum systems quenched out of equilibrium. We focus on non-equilibrium transitions characterized by an order parameter, which features qualitatively distinct temporal behavior on the two sides of a certain dynamical critical point. DPTs are currently mostly understood as long-lived prethermal phenomena in a regime where inelastic collisions are incapable to thermalize the system. The latter enables the dynamics to substain phases that explicitly break detailed balance and therefore cannot be encompassed by traditional thermodynamics. Our presentation covers both cold atoms as well as condensed matter systems. We revisit a broad plethora of platforms exhibiting pre-thermal DPTs, which become theoretically tractable in a certain limit, such as for a large number of particles, large number of order parameter components, or large spatial dimension. The systems we explore include, among others, quantum magnets with collective interactions, ϕ 4 quantum field theories, and Fermi–Hubbard models. A section dedicated to experimental explorations of DPTs in condensed matter and AMO systems connects this large variety of theoretical models.

Physics↗
DOE OSTI2024

Feedback-based quantum algorithms for ground state preparation

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024

Larsen, James B. (ORCID:000000020777440X)↗
DOE OSTI2018

Quantum simulation of discrete curved spacetime by the Bose–Hubbard model: From analog acoustic black hole to quantum phase transition

We present a theoretical scheme to simulate quantum field theory in a discrete curved spacetime based on the Bose–Hubbard model describing a Bose–Einstein condensate trapped inside an optical lattice. Using the Bose–Hubbard Hamiltonian, we first introduce a hydrodynamic presentation of the system evolution in discrete space. We then show that the phase (density) fluctuations of the trapped bosons inside an optical lattice in the superfluid (Mott insulator) state obey the Klein–Gordon equation for a massless scalar field propagating in a discrete curved spacetime. We derive the effective metrics associated with the superfluid and Mott-insulator phases and, in particular, we find that in the superfluid phase the metric exhibits a singularity which can be considered as the manifestation of an analog acoustic black hole. The proposed approach is found to provide a suitable platform for quantum simulation of various spacetime metrics through adjusting the system parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

ON THE GRAVITATIONAL FIELDS OF MACLAURIN SPHEROID MODELS OF ROTATING FLUID PLANETS

Hubbard recently derived an important iterative equation for calculating the gravitational coefficients of a Maclaurin spheroid that does not require an expansion in a small distortion parameter. We show that this iterative equation, which is based on an incomplete solution of the Poisson equation, diverges when the distortion parameter is not sufficiently small. We derive a new iterative equation that is based on a complete solution of the Poisson equation and, hence, always converges when calculating the gravitational coefficients of a Maclaurin spheroid.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase exists for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Bose-Hubbard model in a ring-shaped optical lattice with high filling factors

The high-barrier quantum tunneling regime of a Bose-Einstein condensate confined in a ring-shaped optical lattice is investigated. By means of a change of basis transformation, connecting the set of ''vortex'' Bloch states and a Wannier-like set of localized wave functions, we derive a generalized Bose-Hubbard Hamiltonian. In addition to the usual hopping rate terms, such a Hamiltonian takes into account interaction-driven tunneling processes, which are shown to play a principal role at high filling factors, when the standard hopping rate parameter turns out to be negative. By calculating the energy and atomic current of a Bloch state, we show that such a hopping rate must be replaced by an effective hopping rate parameter containing the additional contribution an interaction-driven hopping rate. Such a contribution turns out to be crucial at high filling factors, since it preserves the positivity of the effective hopping rate parameter. Level crossings between the energies per particle of a Wannier-like state and the superfluid ground state are interpreted as a signature of the transition to configurations with macroscopically occupied states at each lattice site.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

$${\mathcal{P}}{\mathcal{T}}$$-Symmetric Effective Model for Nonequilibrium Phase Transitions in a Dissipative Fermionic Mott Insulator Chain

Nonequilibrium phase transitions in open dissipative systems can be described as instabilities in the spectra and wavefunctions of effective non-Hermitian Hamiltonians invariant under simultaneous parity (P) and time-reversal (T) transformations. The degree of non-Hermiticity reflects the strength of the external drive and dissipation, and the transition is described as a loss of the PT symmetry of the solutions corresponding to stationary low-drive dynamics. This approach has been successfully applied to spin, superconducting, and Mott insulator systems. However, the microscopic foundations for the employed phenomenological models are currently lacking. Here we propose a microscopic mechanism leading to the PT-symmetric effective model in the context of the nonequilibrium Mott transition in a dissipative Hubbard chain. Our model comprises a half-filled fermionic Hubbard chain subject to a constant electric field. The dissipation is introduced via the electron-phonon coupling. We obtain the explicit expressions for the non-Hermitian parameter in terms of the electron-phonon coupling strength and driving field. Analyzing the implications of microscopic model, we find a re-entrant Mott insulator with the increasing electric field for phonon density of states that increases slower than the square of the energy (such as in one or two dimensions), or varies non-monotonously with energy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of emitters on quantum state transfer in coupled cavity arrays

Over the last decade, conditions for perfect state transfer in quantum spin chains have been discovered and their experimental realizations addressed, as have their extensions to more complex geometries of coupled cavity-emitter arrays. In this paper we further consider such studies and situations in which quantum state transfer can occur with high fidelity, even when the cavity-cavity coupling rates and cavity-emitter interaction rates are comparable. This is accomplished through the development and use of a Monte Carlo approach to the inverse eigenvalue problem, which allows the determination of coupling rates which optimize quantum state transfer fidelity and subsequent time evolution of the polariton wave function through exact diagonalization of the resulting Jaynes-Cummings-Hubbard Hamiltonian. The effect of inhomogeneous emitter locations is also evaluated. Furthermore, our key results include the demonstration that our methodology can be used successfully to establish Hamiltonian parameters for high-fidelity state transfer in more general lattice geometries and excitation number sectors, and also a determination of the effects of fluctuations in those parameters about their optimal values.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

HIGH-PRECISION MACLAURIN-BASED MODELS OF ROTATING LIQUID PLANETS

We present an efficient numerical self-consistent field method for calculating a gravitational model of a rotating liquid planet to spherical harmonic degree {approx}30 and a precision {approx}10{sup -12} in the external gravity field. The method's accuracy is validated by comparing results, for Jupiter rotation parameters, with the exact Maclaurin constant-density solution. The method can be generalized to non-constant density.

79 ASTRONOMY AND ASTROPHYSICS↗