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DOE OSTI2022

Solving quasi-free and quadratic Lindblad master equations for open fermionic and bosonic systems

The dynamics of Markovian open quantum systems are described by Lindblad master equations. For fermionic and bosonic systems that are quasi-free, i.e. with Hamiltonians that are quadratic in the ladder operators and Lindblad operators that are linear in the ladder operators, we derive the equation of motion for the covariance matrix. This determines the evolution of Gaussian initial states and the steady states, which are also Gaussian. Using ladder super-operators (a.k.a. third quantization), here we show how the Liouvillian can be transformed to a many-body Jordan normal form which also reveals the full many-body spectrum. Extending previous work by Prosen and Seligman, we treat fermionic and bosonic systems on equal footing with Majorana operators, shorten and complete some derivations, also address the odd-parity sector for fermions, give a criterion for the existence of bosonic steady states, cover non-diagonalizable Liouvillians also for bosons, and include quadratic systems. In extension of the quasi-free open systems, quadratic open systems comprise additional Hermitian Lindblad operators that are quadratic in the ladder operators. While Gaussian states may then evolve into non-Gaussian states, the Liouvillian can still be transformed to a useful block-triangular form, and the equations of motion for k-point Green’s functions form a closed hierarchy. Based on this formalism, results on criticality and dissipative phase transitions in such models are discussed in a companion paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

A viscous blast-wave model for heavy-ion collisions

We present a generalization of the blast-wave model by incorporating viscous effects in the fluid velocity profile as well as in the Cooper-Frye freeze-out. We apply this model to study the identified particles spectra and anisotropic flow at the Large Hadron Collider (LHC). We show that this improved viscous blast-wave model leads to good description of the transverse momentum distribution of particle multiplicities and elliptic as well as triangular flow. Within this model, we estimate the shear viscosity to entropy density ratio η/s ≃ 0.24 at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

On the growth constant for square-lattice self-avoiding walks

The growth constant for two-dimensional self-avoiding walks on the honeycomb lattice was conjectured by Nienhuis in 1982, and since that time the corresponding results for the square and triangular lattices have been sought. For the square lattice, a possible conjecture was advanced by one of us (AJG) more than 20 years ago, based on the six significant digit estimate available at the time. This estimate has improved by a further six digits over the intervening decades, and the conjectured value continued to agree with the increasingly precise estimates. Here, we discuss the three most successful methods for estimating the growth constant, including the most recently developed topological transfer-matrix method, due to another of us (JLJ). We show this to be the most computationally efficient of the three methods, and by parallelising the algorithm we have estimated the growth constant significantly more precisely, incidentally ruling out the conjecture, which fails in the 12th digit. Our new estimate of the growth constant is μ(square) = 2.63815853032790 (3).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

THE EXTREMELY RED, YOUNG L DWARF PSO J318.5338–22.8603: A FREE-FLOATING PLANETARY-MASS ANALOG TO DIRECTLY IMAGED YOUNG GAS-GIANT PLANETS

We have discovered using Pan-STARRS1 an extremely red late-L dwarf, which has (J – K){sub MKO} = 2.78 and (J – K){sub 2MASS} = 2.84, making it the reddest known field dwarf and second only to 2MASS J1207–39b among substellar companions. Near-IR spectroscopy shows a spectral type of L7 ± 1 and reveals a triangular H-band continuum and weak alkali (K I and Na I) lines, hallmarks of low surface gravity. Near-IR astrometry from the Hawaii Infrared Parallax Program gives a distance of 24.6 ± 1.4 pc and indicates a much fainter J-band absolute magnitude than field L dwarfs. The position and kinematics of PSO J318.5–22 point to membership in the β Pic moving group. Evolutionary models give a temperature of 1160{sup +30}{sub -40} K and a mass of 6.5{sup +1.3}{sub -1.0} M {sub Jup}, making PSO J318.5–22 one of the lowest mass free-floating objects in the solar neighborhood. This object adds to the growing list of low-gravity field L dwarfs and is the first to be strongly deficient in methane relative to its estimated temperature. Comparing their spectra suggests that young L dwarfs with similar ages and temperatures can have different spectral signatures of youth. For the two objects with well constrained ages (PSO J318.5–22 and 2MASS J0355+11), we find their temperatures are ≈400 K cooler than field objects of similar spectral type but their luminosities are similar, i.e., these young L dwarfs are very red and unusually cool but not 'underluminous'. Altogether, PSO J318.5–22 is the first free-floating object with the colors, magnitudes, spectrum, luminosity, and mass that overlap the young dusty planets around HR 8799 and 2MASS J1207–39.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

HD 106906 b: A PLANETARY-MASS COMPANION OUTSIDE A MASSIVE DEBRIS DISK

We report the discovery of a planetary-mass companion, HD 106906 b, with the new Magellan Adaptive Optics (MagAO) + Clio2 system. The companion is detected with Clio2 in three bands: J, K{sub S} , and L', and lies at a projected separation of 7.''1 (650 AU). It is confirmed to be comoving with its 13 ± 2 Myr F5 host using Hubble Space Telescope Advanced Camera for Surveys astrometry over a time baseline of 8.3 yr. DUSTY and COND evolutionary models predict that the companion's luminosity corresponds to a mass of 11 ± 2 M {sub Jup}, making it one of the most widely separated planetary-mass companions known. We classify its Magellan/Folded-Port InfraRed Echellette J/H/K spectrum as L2.5 ± 1; the triangular H-band morphology suggests an intermediate surface gravity. HD 106906 A, a pre-main-sequence Lower Centaurus Crux member, was initially targeted because it hosts a massive debris disk detected via infrared excess emission in unresolved Spitzer imaging and spectroscopy. The disk emission is best fit by a single component at 95 K, corresponding to an inner edge of 15-20 AU and an outer edge of up to 120 AU. If the companion is on an eccentric (e > 0.65) orbit, it could be interacting with the outer edge of the disk. Close-in, planet-like formation followed by scattering to the current location would likely disrupt the disk and is disfavored. Furthermore, we find no additional companions, though we could detect similar-mass objects at projected separations >35 AU. In situ formation in a binary-star-like process is more probable, although the companion-to-primary mass ratio, at <1%, is unusually small.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Modeling the Kondo effect of a magnetic atom adsorbed on graphene

The Kondo effect due to a magnetic atom adsorbed on graphene is investigated using two theoretical approaches, including the non-equilibrium Green's function method within the slave-boson mean-field approximation and a newly developed tight-binding (TB) model with an effectively infinite Hubbard U term. Both methods reveal the presence of a Kondo peak in the local density of state (LDOS) of graphene near the Fermi level. A sharp Kondo peak is only observed in the odd-neighboring C sites of the C atom directly below the magnetic atom placed in top position. The peak intensity is found to decay quickly with respect to the distance between the C site and the magnetic atom. A theoretical model of scanning tunneling microscopy (STM) of graphene is presented as a means to identify the manifestation of the Kondo effect via direct topographic STM measurements. STM simulations show that in the proximity of the magnetic atom, only the C atoms of one sublattice are visible at low bias potential and thus a triangular lattice can be seen, in agreement with recent experiments. Further away from the magnetic atom, the Kondo effect dies down and eventually both sublattices are visible, leading to the recovery of the hexagonal lattice. Furthermore, this work not only provides a new TB method to study the Kondo effect in graphene, but also presents both scanning tunneling spectroscopy and microscopy fingerprints of the Kondo effect to facilitate its experimental verification.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Scanning tunneling microscopy study of epitaxial Fe 3 GeTe 2 monolayers on Bi 2 Te 3

Abstract Introducing magnetism to the surface state of topological insulators, such as Bi 2 Te 3 , can lead to a variety of interesting phenomena. We use scanning tunneling microscopy (STM) to study a single quintuple layer (QL) of the van der Waals magnet Fe 3 GeTe 2 (FGT) that is grown on Bi 2 Te 3 via molecular beam epitaxy. STM topographic images show that the FGT grows as free-standing islands on Bi 2 Te 3 and outwards from Bi 2 Te 3 steps. Atomic resolution imaging shows triangular lattices of 390 ± 10 pm for FGT and 430 ± 10 pm for Bi 2 Te 3 , consistent with the respective bulk crystals. A moiré pattern is observed on FGT regions with a periodicity of 4.3 ± 0.4 nm that can be attributed solely to this lattice mismatch and thus indicates zero rotational misalignment. While most of the surface is covered by a single QL of the FGT, there are small double QL regions, as well as regions with distinct chemical terminations due to an incomplete QL. The most common partial QL surface termination is the FeGe layer, in which the top two atomic layers are missing. This termination has a distinctive electronic structure and a 3 x 3 R 30 ∘ reconstruction overlaid on the moiré pattern in STM images. Magnetic circular dichroism measurements confirm these thin FGT films are ferromagnetic withT C ∼190 K.

Materials Science↗

DOE OSTI2020

Quantum electronics and optics at the interface of solid neon and superfluid helium

Here, we predict a new quantum electronic structure at the interface between two condensed phases of noble-gas elements: solid neon and superfluid helium. An excess electron injected onto this interface self-confines its wavefunction into a nanometric dome structure. Its size varies with pressure and optical transitions cover a broad mid-infrared spectrum. A collection of such electrons can form a classical Wigner crystal resembling a quantum-dot array on a triangular lattice. Under ultrafast laser illumination, this Wigner crystal can exhibit the quantum optical phenomenon of superradiance in the picosecond time scale. The ultralong spin-coherence time and micron-scale deterministic configurability allow the electrons in this system to serve as quantum information carriers. Their spin states can be controlled and readout by on-chip single-electron devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

An open-endcap blade trap for radial-2D ion crystals

We present the design and experimental demonstration of an open-endcap radio frequency trap to confine ion crystals in the radial-two dimensional (2D) structural phase. The central axis of the trap is kept free of obstructions to allow for site-resolved imaging of ions in the 2D crystal plane, and the confining potentials are provided by four segmented blade electrodes. We discuss the design challenges, fabrication techniques, and voltage requirements for implementing this open-endcap trap. Finally, we validate its operation by confining up to 29 ions in a 2D triangular lattice, oriented such that both in-plane principal axes of the 2D crystal lie in the radial direction.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

An finite element analysis surrogate model with boundary oriented graph embedding approach for rapid design

Abstract In this work, we present a boundary oriented graph embedding (BOGE) approach for the graph neural network to assist in rapid design and digital prototyping. The cantilever beam problem has been solved as an example to validate its potential of providing physical field results and optimized designs using only 10 ms. Providing shortcuts for both boundary elements and local neighbor elements, the BOGE approach can embed unstructured mesh elements into the graph and performs an efficient regression on large-scale triangular-mesh-based finite element analysis (FEA) results, which cannot be realized by other machine-learning-based surrogate methods. It has the potential to serve as a surrogate model for other boundary value problems. Focusing on the cantilever beam problem, the BOGE approach with 3-layer DeepGCN model achieves the regression with mean square error (MSE) of 0.011 706 (2.41% mean absolute percentage error) for stress field prediction and 0.002 735 MSE (with 1.58% elements having error larger than 0.01) for topological optimization. The overall concept of the BOGE approach paves the way for a general and efficient deep-learning-based FEA simulator that will benefit both industry and Computer Aided Design (CAD) design-related areas.

42 ENGINEERING↗

DOE OSTI2024

Repainting the colour–mass diagrams by unearthing the green mountain: dust-rich S0 galaxies in the colour–(galaxy stellar mass) diagram, and the colour–(black hole mass) relations for dust-poor versus dust-rich galaxies

ABSTRACT Lenticular galaxies are notoriously misclassified as elliptical galaxies and, as such, a (disc inclination)-dependent correction for dust is often not applied to the magnitudes of dusty lenticular galaxies. This results in overly red galaxy colours, impacting their distribution in the colour–magnitude diagram. It is revealed how this has led to an underpopulation of the ‘green valley’ by hiding a ‘green mountain’ of massive dust-rich lenticular galaxies – known to be built from gas-rich major mergers – within the ‘red sequence’ of colour–(stellar mass) diagrams. Correcting for dust, a ‘green mountain’ appears at M*,gal ∼ 1011 M⊙, along with signs of an extension to lower masses producing a ‘green range’ or ‘green ridge’ on the green side of the ‘red sequence’ and ‘blue cloud.’ The ‘red sequence’ is shown to be comprised of two components: a red plateau defined by elliptical galaxies with a near-constant colour and by lower-mass dust-poor lenticular galaxies, which are mostly a primordial population but may include faded/transformed spiral galaxies. The presence of the quasi-triangular-shaped galaxy evolution sequence, previously called the ‘Triangal’, is revealed in the galaxy colour–(stellar mass) diagram. It tracks the speciation of galaxies and their associated migration through the diagram. The connection of the ‘Triangal’ to previous galaxy morphology sequences (Fork, Trident, and Comb) is also shown herein. Finally, the colour–(black hole mass) diagram is revisited, revealing how the dust correction generates a blue–green sequence for the spiral and dust-rich lenticular galaxies that is offset from a green–red sequence defined by the dust-poor lenticular and elliptical galaxies.

Graham, Alister W. (ORCID:0000000264969414)↗

DOE OSTI2021

Geometric frustration in the myosin superlattice of vertebrate muscle

Geometric frustration results from an incompatibility between minimum energy arrangements and the geometry of a system, and gives rise to interesting and novel phenomena. Here, we report geometric frustration in a native biological macromolecular system---vertebrate muscle. We analyse the disorder in the myosin filament rotations in the myofibrils of vertebrate striated (skeletal and cardiac) muscle, as seen in thin-section electron micrographs, and show that the distribution of rotations corresponds to an archetypical geometrically frustrated system---the triangular Ising antiferromagnet. Spatial correlations are evident out to at least six lattice spacings. The results demonstrate that geometric frustration can drive the development of structure in complex biological systems, and may have implications for the nature of the actin--myosin interactions involved in muscle contraction. Identification of the distribution of myosin filament rotations with an Ising model allows the extensive results on the latter to be applied to this system. It shows how local interactions (between adjacent myosin filaments) can determine long-range order and, conversely, how observations of long-range order (such as patterns seen in electron micrographs) can be used to estimate the energetics of these local interactions. Furthermore, since diffraction by a disordered system is a function of the second-order statistics, the derived correlations allow more accurate diffraction calculations, which can aid in interpretation of X-ray diffraction data from muscle specimens for structural analysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Simulations of frustrated Ising Hamiltonians using quantum approximate optimization

Novel magnetic materials are important for future technological advances. Theoretical and numerical calculations of ground-state properties are essential in understanding these materials, however, computational complexity limits conventional methods for studying these states. Here we investigate an alternative approach to preparing materials ground states using the quantum approximate optimization algorithm (QAOA) on near-term quantum computers. We study classical Ising spin models on unit cells of square, Shastry-Sutherland and triangular lattices, with varying field amplitudes and couplings in the material Hamiltonian. We find relationships between the theoretical QAOA success probability and the structure of the ground state, indicating that only a modest number of measurements (≲100) are needed to find the ground state of our nine-spin Hamiltonians, even for parameters leading to frustrated magnetism. We further demonstrate the approach in calculations on a trapped-ion quantum computer and succeed in recovering each ground state of the Shastry-Sutherland unit cell with probabilities close to ideal theoretical values. The results demonstrate the viability of QAOA for materials ground state preparation in the frustrated Ising limit, giving important first steps towards larger sizes and more complex Hamiltonians where quantum computational advantage may prove essential in developing a systematic understanding of novel materials.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Observation of Long-Range Collective Flow in O + O and Ne + Ne Collisions and Implications for Nuclear Structure Studies

The long-range collective flow of particles produced in oxygen-oxygen ( O + O ) and neon-neon ( Ne + Ne ) collisions is measured with the CMS detector at the CERN LHC. The data samples were collected at a center-of-mass energy per nucleon pair of 5.36 TeV, with integrated luminosities of 7 nb - 1 and 0.8 nb - 1 for O + O and Ne + Ne collisions, respectively. Two- and four-particle azimuthal correlations are measured over nearly five units of pseudorapidity. Significant elliptic ( v 2 ) and triangular ( v 3 ) flow harmonics are observed in both systems. The ratios of v n coefficients between Ne + Ne and O + O collisions suggest sensitivity to the intrinsic nuclear structure of the respective Ne and O ions. Hydrodynamic models with ab initio nuclear structure inputs qualitatively reproduce the collision-overlap dependence of both the v n values and the Ne + Ne to O + O ratios. These measurements provide new constraints when modeling the interplay of nuclear structure and collective dynamics in collisions of O 16 and Ne 20 ions, respectively.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

DOE OSTI2025

Intrinsic Thermal Hall Effect in Mott Insulators

Here, in light of recent experimental data indicating a substantial thermal Hall effect in square lattice antiferromagnetic Mott insulators, we investigate whether a simple Mott insulator can sustain a finite thermal Hall effect. We verify that the answer is “no” if one performs calculations within a spin-only low-energy effective spin model with noninteracting magnons. However, by performing determinant quantum Monte Carlo simulations, we show the single-band 𝑡−𝑡′−𝑈 Hubbard model coupled to an orbital magnetic field does support a finite thermal Hall effect when 𝑡′ ≠0 and 𝐵 ≠0 in the Mott insulating phase. We argue that the (carrier agnostic) necessary conditions for observing a finite thermal Hall effect are time-reversal and particle-hole symmetry breaking. By considering magnon-magnon scattering using a semiclassical Boltzmann analysis, we illustrate a physical mechanism by which finite transverse thermal conductivity may arise, consistent with our symmetry argument and numerical results. Our results indicate that square and triangular lattices with SU(2) symmetry can support a finite thermal Hall effect and call for a critical reexamination of thermal Hall effect data in insulating magnets, as the magnon contribution should not be excluded a priori .

Mott insulators↗

DOE OSTI2025

Fermi-surface driven frustrations in charge ordered kagome metal LuNb 6 ⁢Sn 6

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-𝑇 𝑐 superconductors and topological semimetals. Recently, CDWs that possibly intertwine with superconductivity and magnetism are observed in various kagome metals. However, the nature of CDWs and the role of the Fermi-surface (FS) topology in these materials remain an unresolved challenge. In this paper, we reveal the formation of CDWs in the newly discovered kagome metal LuNb 6 ⁢Sn 6 . Here, we observe a ‘‘yield sign’’-like hollow triangular diffuse scattering pattern and nearly complete softening of a flat optical phonon band near 𝐐 𝐻 = (1/3,1/3,1/2). The scattering intensity of the diffuse scattering displays divergent behavior as decreasing temperature until 𝑇 CDW = 70 K, where a competing CDW at 𝑄 CDW = (1/3,1/3,1/3) emerges. Combined with scanning tunneling microscopy/spectroscopy and first-principles calculations, our observations support a Fermi-surface driven frustration that suppresses the leading CDW instability at 𝐐 𝐻 . This frustration is relieved by the emergence of a subleading CDW at 𝑄 CDW . These results provide insights into the interplay between the Fermi surface, strong electron-phonon coupling, and charge density wave formation in quantum materials.

Yang, F. Z. [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2026

Measurement of the longitudinal flow-plane decorrelation using multiplane cumulants in $\sqrt{s_{NN}}$ = 200 GeV Au+Au, Ru+Ru, and Zr+Zr collisions

Measurements of the variation of anisotropic flow-plane angles (𝛹 𝑛 ) with rapidity, commonly known as the flow-plane decorrelation, provide important insights into the initial conditions of the matter produced in heavy-ion collisions. Here, in this paper, using data collected by the STAR experiment, we report the first measurement of the four-plane correlator observable 𝑇 𝑛 ⁡{𝑏⁢𝑎;𝑑⁢𝑐}=⟨⟨sin⁡[𝑛⁢(𝛹$^𝑏_𝑛$ − 𝛹$^𝑎_𝑛$)]⁢sin⁡[𝑛⁢(𝛹$^𝑑_𝑛$ − 𝛹$^𝑐_𝑛$)]⟩⟩, where superscripts 𝑎, 𝑏, 𝑐, and 𝑑 denote sequential pseudorapidity (𝜂) regions with 𝑎 corresponding to the most backward region, 𝑏 and 𝑐 close to mid-rapidity with 𝜂 𝑏 < 0 and 𝜂 𝑐 > 0, and 𝑑 being the most forward. The measurement is performed for the elliptic and triangular flow (i.e.~𝑛 = 2 and 3) in Au+Au and isobar (Ru+Ru, Zr+Zr) collisions at $\sqrt{s_{NN}}$=200~GeV. The goal of calculating the correlation of the flow-plane angle variations from backward to mid-central, and from mid-central to forward regions, is to probe the systematic variation of flow angle over a wide 𝜂 range. In mid-central collisions (10−30% centrality), we find 𝑇 2 ⁡{𝑏⁢𝑎;𝑑⁢𝑐} =−0.004 ±0.001⁢(s⁢t⁢a⁢t) ±0.002⁢(s⁢y⁢s⁢t) independent of the collision system. Such a small value of 𝑇 2 favors a random-walk'' variation of the flow-plane angles, where the rapidity correlation length is smaller than the entire region under study. These measurements provide new information on the decorrelation patterns in the system and offer a quantitative estimate of possible systematic variations in anisotropic flow angles such astwist’’ between forward and backward regions. This opens new opportunities for understanding the three-dimensional structure and the time evolution of the quark-gluon plasma created in heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

General Approach to Solving Spin Moiré Superstructures

Recently, a host of exciting magnetic textures such as topologically protected skyrmion lattices has been discovered in several bulk metallic lanthanide compounds. In addition to hosting skyrmion phases, a hallmark of this class of materials is the appearance of numerous spin textures characterized by superposition of multiple magnetic modulations: spin moiré superlattices. In order to understand the multitude of complex phases often present in these materials, we require a general-purpose experimental and theoretical framework. Here, we demonstrate such an approach in EuAg4⁢Sb2 by comprehensively characterizing and modeling its three complex zero-field magnetic textures. Systematic symmetry-breaking experiments using uniaxial strain determine that the ground-state incommensurate magnetic phase (ICM1) is single 𝑞, meaning the magnetic moments modulate along one magnetic propagation vector. In contrast, ICM2 and ICM3 are both double 𝑞, meaning they are formed from the superposition of two sinusoidal spin modulations, i.e., spin moiré superlattices. Further, through application of polarized small-angle neutron scattering and spherical neutron polarimetry, we demonstrate that ICM1 is a single-𝑞 cycloid and ICM2 and ICM3 are double-𝑞 vortex lattices. Despite the quasi-two-dimensional nature of EuAg4⁢Sb2, the modulations propagate out of the ab plane, leading to a shift of the spin texture between triangular lattice planes. Further, the ICM3 to ICM2 transition includes an unusual 45° rotation of the magnetic vortex lattice. Motivated by the coexistence of such drastically different phases in this compound, we conclude by developing a phenomenological model that sheds light on the energetic origins of these varied phases. Our experimental probes and theoretical modeling definitively characterize three different and tunable phases in one material and provide insight for the design of topological spin-texture materials.

Neves, Paul [Massachusetts Institute of Technology↗