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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Shear Is Not Always Simple: Rate-Dependent Effects of Flow Type on Granular Rheology

we report that despite there being an infinite variety of types of flow, most rheological studies focus on a single type such as simple shear. Using discrete element simulations, we explore bulk granular systems in a wide range of flow types at large strains and characterize invariants of the stress tensor for different inertial numbers and interparticle friction coefficients. We identify a strong dependence on the type of flow, which grows with increasing inertial number or friction. Standard models of yielding, repurposed to describe the dependence of the stress on flow type in steady-state flow and at finite rates, are compared with data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Cosmic Coincidences of Primordial-Black-Hole Dark Matter

If primordial black holes (PBHs) contribute more than 10% of the dark matter (DM) density, their energy density today is of the same order as that of the baryons. Such a cosmic coincidence might hint at a mutual origin for the formation scenario of PBHs and the baryon asymmetry of the Universe. Baryogenesis can be triggered by a sharp transition of the rolling rate of inflaton from slow-roll to (nearly) ultraslow-roll phases that produce large curvature perturbations for PBH formation in single-field inflationary models. We show that the baryogenesis requirement drives the PBH contribution to DM, along with the inferred PBH mass range, the resulting stochastic gravitational wave background frequency window, and the associated cosmic microwave background tensor-to-scalar ratio amplitude, into potentially observable regimes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Multiple Magnetorotons and Spectral Sum Rules in Fractional Quantum Hall Systems

We study, numerically, the charge neutral excitations (magnetorotons) in fractional quantum Hall systems, concentrating on the two Jain states near quarter filling, ν = 2/7 and ν = 2/9, and the ν = 1/4 Fermi-liquid state itself. In contrast to the ν = 1/3 states and the Jain states near half filling, on each of the two Jain states ν = 2/7 and ν = 2/9 the graviton spectral densities show two, instead of one, magnetoroton peaks. The magnetorotons have spin 2 and have opposite chiralities in the ν = 2/7 state and the same chirality in the ν = 2/9 state. Here, we also provide a numerical verification of a sum rule relating the guiding center spin s¯ with the spectral densities of the stress tensor.

2-dimensional systems↗
DOE OSTI2022

Proton Distribution Radii of 16–24 O: Signatures of New Shell Closures and Neutron Skin

The root mean square radii of the proton density distribution in 16–24 O derived from measurements of charge changing cross sections with a carbon target at ~900A MeV together with the matter radii portray thick neutron skin for 22–24 O despite 22,24 O being doubly magic. Imprints of the shell closures at N=14 and 16 are reflected in local minima of their proton radii that provide evidence for the tensor interaction causing them. The radii agree with ab initio calculations employing the chiral NNLO sat interaction, though skin thickness predictions are challenged. Furthermore, shell model predictions agree well with the data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Limits to Gauge Coupling in the Dark Sector Set by the Nonobservation of Instanton-Induced Decay of Super-Heavy Dark Matter in the Pierre Auger Observatory Data

Instantons, which are nonperturbative solutions to Yang-Mills equations, provide a signal for the occurrence of quantum tunneling between distinct classes of vacua. They can give rise to decays of particles otherwise forbidden. Using data collected at the Pierre Auger Observatory, we search for signatures of such instanton-induced processes that would be suggestive of super-heavy particles decaying in the Galactic halo. These particles could have been produced during the post-inflationary epoch and match the relic abundance of dark matter inferred today. The nonobservation of the signatures searched for allows us to derive a bound on the reduced coupling constant of gauge interactions in the dark sector: α X ≲ 0.09, for 10 9 ≲ M X /GeV < 10 19 . Conversely, we obtain that, for instance, a reduced coupling constant α X = 0.09 excludes masses M X ≳ 3 x 10 13 GeV. In the context of dark matter production from gravitational interactions alone, we illustrate how these bounds are complementary to those obtained on the Hubble rate at the end of inflation from the nonobservation of tensor modes in the cosmological microwave background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

New Structure in the Deuteron

Here, we demonstrate that a paradigm shift from considering the deuteron as a system of a bound proton and neutron to that of a pseudovector system in which we observe a proton and neutron results in the possibility of probing a new “incomplete” P-statelike structure on the light front (LF). This occurs at extremely large internal momenta, which can be achieved in a high energy transfer electrodisintegration of the deuteron. Investigating the deuteron on the light front, where the vacuum fluctuations are suppressed, we found that this new structure, together with the conventional S and D states, is leading order in transferred energy of the reaction and thus not suppressed on the light front. The incompleteness of the observed P state results in a violation of the angular condition that can happen only if the deuteron contains non-nucleonic structures, such as Δ Δ, N*⁢N or hidden color components. We demonstrate that experimentally verifiable signatures of incomplete P states are angular anisotropy of the light front momentum distribution of the nucleon in the deuteron, as well as an enhancement of the tensor polarization strength beyond the S- and D-wave predictions at large internal momenta in the deuteron.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Phonon Hall Viscosity of Ionic Crystals

When time-reversal symmetry is broken, the low-energy description of acoustic lattice dynamics allows for a dissipationless component of the viscosity tensor, the phonon Hall viscosity, which captures how phonon chirality grows with the wave vector. In this work, we show that, in ionic crystals, a phonon Hall viscosity contribution is produced by the Lorentz forces on moving ions. We calculate typical values of the Lorentz force contribution to the Hall viscosity using a simple square lattice toy model, and we compare it with literature estimates of the strengths of other Hall-viscosity mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Universal Bound on Effective Central Charge and Its Saturation

The effective central charge (denoted by 𝑐 eff ) is a measure of entanglement through a conformal interface, while the transmission coefficient (encoded in the coefficient 𝑐 𝐿⁢𝑅 of the two-point function of the energy-momentum tensor across the interface) is a measure of energy transmission through the interface. It has been pointed out that these two are generally different. In this Letter, we propose the inequalities, 0 ≤ 𝑐 𝐿⁢𝑅 ≤ 𝑐 eff ≤ min⁡(𝑐 𝐿 ,𝑐 𝑅 ). They have the simple but important implication that the amount of energy transmission can never exceed the amount of information transmission. We verify them using the AdS/CFT correspondence, using the perturbation method, and in examples beyond holography. We also show that these inequalities are sharp by constructing a class of interfaces that saturate them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Infinite Family of Integrable Sigma Models Using Auxiliary Fields

We introduce a class of 2D sigma models which are parametrized by a function of one variable. In addition to the physical field g , these models include an auxiliary field v α which mediates interactions in a prescribed way. We prove that every theory in this family is classically integrable, in that it possesses an infinite set of conserved charges in involution, which can be constructed from a Lax representation for the equations of motion. This class includes the principal chiral model (PCM) and all deformations of the PCM by functions of the energy-momentum tensor. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Computing Nonequilibrium Responses with Score-Shifted Stochastic Differential Equations

Using equilibrium fluctuations to understand the response of a physical system to an externally imposed perturbation is the basis for linear response theory, which is widely used to interpret experiments and shed light on microscopic dynamics. For nonequilibrium systems, perturbations cannot be interpreted simply by monitoring fluctuations in a conjugate observable and general response results rely on path ensemble averaging. Furthermore, these techniques do not apply to perturbations that affect the diffusion tensor in a stochastic system. Here, we introduce an “effective” physical process that represents the diffusion perturbed dynamics and enables accurate calculations of responses to a change in the diffusion. Interestingly, the effective dynamics contain an additional drift involving the instantaneous “score” of the system, and we leverage score matching algorithms to carry out nonequilibrium response calculations on systems for which the exact stationary distribution is unknown.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Conservative Spin-Magnitude Change in Orbital Evolution in General Relativity

We show that physical scattering observables for compact spinning objects in general relativity can depend on additional degrees of freedom in the spin tensor beyond those described by the spin vector alone. The impulse, spin kick, and leading-order waveforms exhibit such a nontrivial dependence. A signal of this additional structure is the change in the magnitude of the spin vector under conservative Hamiltonian evolution, similar to our previous studies in electrodynamics. These additional degrees of freedom describe dynamical mass multipoles of compact objects and decouple for black holes. We also show that the conservative impulse, spin kick, and change of the additional degrees of freedom are encoded in the eikonal phase.

Classical black holes↗
DOE OSTI2025

Observation of an Axial-Vector State in the Study of the Decay ψ ( 3686 ) → ϕ η η ′

Using ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at BEPCII, a partial wave analysis of the decay ψ ( 3686 ) → ϕ η η ′ is performed with the covariant tensor approach. In addition to the established states h 1 ( 1900 ) and ϕ ( 2170 ) , an axial-vector state with a mass near 2.3 GeV / c 2 is observed for the first time. Its mass and width are measured to be 2316 ± 9 stat ± 3 0 syst MeV / c 2 and 89 ± 1 5 stat ± 2 6 syst MeV , respectively. The product branching fractions of B [ ψ ( 3686 ) → X ( 2300 ) η ′ ] B [ X ( 2300 ) → ϕ η ] and B [ ψ ( 3686 ) → X ( 2300 ) η ] B [ X ( 2300 ) → ϕ η ′ ] are determined to be ( 4.8 ± 1.3 stat ± 0.7 syst ) × 10 − 6 and ( 2.2 ± 0.7 stat ± 0.7 syst ) × 10 − 6 , respectively. The branching fraction B [ ψ ( 3686 ) → ϕ η η ′ ] is measured for the first time to be ( 3.14 ± 0.1 7 stat ± 0.2 4 syst ) × 10 − 5 . The first uncertainties are statistical and the second are systematic. Published by the American Physical Society 2025

Ablikim, M.↗
DOE OSTI2021

Thermal conductivity of the quasi-one-dimensional materials TaSe 3 and ZrTe 3

The high breakdown current densities and resilience to scaling of the metallic transition metal trichalcogenides TaSe 3 and ZrTe 3 make them of interest for possible interconnect applications, and it motivates this study of their thermal conductivities and phonon properties. These crystals consist of planes of strongly bonded one-dimensional chains more weakly bonded to neighboring chains. Phonon dispersions and the thermal conductivity tensors are calculated using density functional theory combined with an iterative solution of the phonon Boltzmann transport equation. The phonon velocities and the thermal conductivities of TaSe 3 are considerably more anisotropic than those of ZrTe 3 . The maximum LA velocity in ZrTe 3 occurs in the cross-chain direction, and this is consistent with the strong cross-chain bonding that gives rise to large Fermi velocities in that direction. The thermal conductivities are similar to those of other metallic two-dimensional transition metal dichalcogenides. At room temperature, a significant portion of the heat is carried by the optical modes. In the low frequency range, the phonon lifetimes and mean free paths in TaSe 3 are considerably shorter than those in ZrTe 3 . Here, we find that the shorter lifetimes in TaSe 3 are consistent with the presence of lower frequency optical branches and zone-folding features in the acoustic branches that arise due to the doubling of the TaSe 3 unit cell within the plane.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nonlinear deformation and elasticity of BCC refractory metals and alloys

Application of isotropic pressure or uniaxial strain alters the elastic properties of materials; sufficiently large strains can drive structural transformations. Linear elasticity describes stability against infinitesimal strains, while nonlinear elasticity describes the response to finite deformations. Here, it was previously shown that uniaxial strain along [100] drives refractory metals and alloys towards mechanical instabilities. These include an extensional instability, and a symmetry-breaking orthorhombic distortion caused by a Jahn-Teller-Peierls instability that splays the cubic lattice vectors. Here we analyze these transitions in depth. Eigenvalues and eigenvectors of the Wallace tensor identify and classify linear instabilities in the presence of strain. We show that both instabilities are discontinuous, leading to discrete jumps in the lattice parameters. We provide physical intuition for the instabilities by analyzing the changes in first-principles energy, stress, bond lengths, and angles upon application of strain. Electronic band structure calculations show differential occupation of bonding and antibonding orbitals, driven by the changing bond lengths and leading to the structural transformations. Strain thresholds for these instabilities depend on the valence electron count.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effective point-charge analysis of crystal fields: Application to rare-earth pyrochlores and tripod kagome magnets 𝑅 ⁢3⁢ Mg⁢ 2 ⁢Sb⁢ 3⁢ O⁢ 14

An indispensable step to understand collective magnetic phenomena in rare-earth compounds is the determination of spatially anisotropic single-ion properties resulting from spin-orbit coupling and crystal field (CF). The CF Hamiltonian has a discrete energy spectrum—accessible to spectroscopic probes such as neutron scattering—controlled by a number of independent parameters reflecting the point symmetry of the magnetic sites. Determining these parameters in low-symmetry systems is often challenging. Here, we describe a general method to analyze CF excitation spectra using adjustable effective point-charges. We benchmark our method to existing neutron-scattering measurements on pyrochlore rare-earth oxides and obtain a universal point-charge model that describes a large family of related materials. We adapt this model to the newly discovered tripod kagome magnets (𝑅 3 ⁢Mg 2 ⁢Sb 3 ⁢O 14 , 𝑅 = Tb, Ho, Er, Yb) for which we report broadband inelastic neutron-scattering spectra. Analysis of these data using adjustable point-charges yields the CF wave functions for each compound. From this, we calculate thermomagnetic properties that accurately reflect our measurements on powder samples and predict the effective gyromagnetic tensor for pseudospin degrees of freedom—a crucial step to understand the exotic collective properties of these kagome magnets at low temperature. We present further applications of our method to other tripod kagome materials and triangular rare-earth compounds 𝑅⁢MgGaO 4 (𝑅 =Yb, Tm). Overall, this study establishes a widely applicable methodology to predict CF and single-ion properties of rare-earth compounds based on interpretable and adjustable models of effective point charges.

Crystal-field theory↗
DOE OSTI2024

Effective many-body interactions in reduced-dimensionality spaces through neural network models

Accurately describing properties of challenging problems in physical sciences often requires complex mathematical models that are unmanageable to tackle head on. Therefore, developing reduced-dimensionality representations that encapsulate complex correlation effects in many-body systems is crucial to advance the understanding of these complicated problems. However, a numerical evaluation of these predictive models can still be associated with a significant computational overhead. To address this challenge, in this paper we discuss a combined framework that integrates recent advances in the development of active-space representations of coupled cluster (CC) downfolded Hamiltonians with neural network approaches. The primary objective of this effort is to train neural networks to eliminate the computationally expensive steps required for evaluating hundreds or thousands of Hugenholtz diagrams, which correspond to multidimensional tensor contractions necessary for evaluating a many-body form of downfolded effective Hamiltonians. Using small molecular systems (the H 2 O and HF molecules) as examples, we demonstrate that training neural networks employing effective Hamiltonians for a few nuclear geometries of molecules can accurately interpolate or extrapolate their forms to other geometrical configurations characterized by different intensities of correlation effects. We also discuss differences between effective interactions that define CC downfolded Hamiltonians with those of bare Hamiltonians defined by Coulomb interactions in the active spaces. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Computational Power of Random Quantum Circuits in Arbitrary Geometries

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of approximately 50 qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and, therefore, how much infidelity is suffered) in generating highly entangled states. Here, we describe recent hardware upgrades to Quantinuum’s H2 quantum computer, enabling it to operate on up to 56 qubits with arbitrary connectivity and 99.843(5)% two-qubit gate fidelity. We define a class of circuits with random geometries that become hard to classically simulate in very low depth and implement them utilizing the flexible connectivity of H2. A careful analysis demonstrating the fast saturation of classical simulation complexity with depth indicates that H2 can yield data well beyond the reach of state-of-the art classical simulation methods at unprecedented fidelities. We find that the considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the quantum charge-coupled device architecture as continued progress is made toward building larger machines. Published by the American Physical Society 2025

DeCross, M.↗
DOE OSTI2024

Probing Postmeasurement Entanglement without Postselection

We study the problem of observing quantum collective phenomena emerging from large numbers of measurements. These phenomena are difficult to observe in conventional experiments because, in order to distinguish the effects of measurement from dephasing, it is necessary to postselect on sets of measurement outcomes with Born probabilities that are exponentially small in the number of measurements performed. An unconventional approach, which avoids this exponential “postselection problem”, is to construct cross-correlations between experimental data and the results of simulations on classical computers. However, these cross-correlations generally have no definite relation to physical quantities. We first show how to incorporate classical shadows into this framework, thereby allowing for the construction of quantum information-theoretic cross-correlations. We then identify cross-correlations that both upper and lower bound the measurement-averaged von Neumann entanglement entropy, as well as cross-correlations that lower bound the measurement-averaged purity and entanglement negativity. These bounds show that experiments can be performed to constrain postmeasurement entanglement without the need for postselection. To illustrate our technique, we consider how it could be used to observe the measurement-induced entanglement transition in Haar-random quantum circuits. We use exact numerical calculations as proxies for quantum simulations and, to highlight the fundamental limitations of classical memory, we construct cross-correlations with tensor-network calculations at finite bond dimension. Our results reveal a signature of measurement-induced criticality that can be observed using a quantum simulator in polynomial time and with polynomial classical memory. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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