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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Revisiting spin ice physics in the ferromagnetic Ising pyrochlore Pr 2 Sn 2 O 7

Pyrochlore materials are characterized by their hallmark network of corner-sharing rare-earth tetrahedra, which can produce a wide array of complex magnetic ground states. Ferromagnetic Ising pyrochlores often obey the “two-in-two-out” spin ice rules, which can lead to a highly degenerate spin structure. Large moment systems, such as Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , tend to host a classical spin ice state with low-temperature spin freezing and emergent magnetic monopoles. Systems with smaller effective moments, such as Pr 3+ -based pyrochlores, have been proposed as excellent candidates for hosting a “quantum spin ice” characterized by entanglement and a slew of exotic quasiparticle excitations. However, experimental evidence for a quantum spin ice state has remained elusive. Here, in this work, we show that the low-temperature magnetic properties of Pr 2 Sn 2 O 7 satisfy several important criteria for continued consideration as a quantum spin ice. We find that Pr 2 Sn 2 O 7 exhibits two distinct spin-correlation time scales of τ ≥ 10 –4 and ~10 –10 s in the spin ice regime. Our comprehensive bulk characterization and neutron scattering measurements enable us to map out the magnetic field-temperature phase diagram, producing results consistent with expectations for a ferromagnetic Ising pyrochlore. We identify key hallmarks of spin ice physics and show that the application of small magnetic fields (μ 0 H c ~0.5 T) suppresses the spin ice state and induces a field-polarized, ordered spin-ice phase. Together, our work clarifies the current state of Pr 2 Sn 2 O 7 and encourages future studies aimed at exploring the potential for a quantum spin ice ground state in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structural and mechanical properties of monolayer amorphous carbon and boron nitride

Amorphous materials exhibit various characteristics that are not featured by crystals and can sometimes be tuned by their degree of disorder (DOD). Here, we report results on the mechanical properties of monolayer amorphous carbon (MAC) and monolayer amorphous boron nitride (maBN) with different DOD. The pertinent structures are obtained by kinetic-Monte-Carlo (kMC) simulations using machine-learning potentials (MLP) with density-functional-theory (DFT)-level accuracy. An intuitive order parameter, namely the areal fraction F x occupied by crystallites within the continuous random network, is proposed to describe the DOD. We find that F x captures the essence of the DOD: Samples with the same F x but different sizes and arrangements of crystallites, obtained using two distinct kMC procedures, have virtually identical radial distributions functions as well as bond-length and bond-angle distributions. Furthermore, by simulating the fracture process with molecular dynamics, we found that the mechanical responses of MAC and maBN before fracture are mainly determined by F x and are insensitive to the sizes and specific arrangements and to some extent the numbers and area distributions of the crystallites. The behavior of cracks in the two materials is analyzed and found to mainly propagate in meandering paths in the CRN region and to be influenced by crystallites in distinct ways that toughen the material. Furthermore, the present results reveal the relation between structure and mechanical properties in amorphous monolayers and may provide a universal toughening strategy for 2D materials.

2-dimensional systems↗
DOE OSTI2024

Complex orders and chirality in the classical Kitaev-Γ model

It is well recognized that the low-energy physics of many Kitaev materials is governed by two dominant energy scales, the Ising-type Kitaev coupling 𝐾 and the symmetric off-diagonal Γ coupling. An understanding of the interplay between these two scales is therefore the natural starting point toward a quantitative description that includes subdominant perturbations that are inevitably present in real materials. This study focuses on the classical 𝐾−Γ model on the honeycomb lattice, with a specific emphasis on the region 𝐾< 0 and Γ > 0 , which is the most relevant for the available materials and which remains enigmatic in both quantum and classical limits, despite much effort. We employ large-scale Monte Carlo simulations on specially designed finite-size clusters and unravel the presence of a complex multisublattice magnetic order in a wide region of the phase diagram, whose structure is characterized in detail. We show that this order can be quantified in terms of a coarse-grained scalar-chirality order, featuring a counterrotating modulation on the two spin sublattices. Here, we also provide a comparison to previous studies and discuss the impact of quantum fluctuations on the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Fingerprints of composite fermion Lambda levels in scanning tunneling microscopy

A composite fermion (CF) is a topological quasiparticle that emerges from a nonperturbative attachment of vortices to electrons in strongly correlated two-dimensional materials. Similar to noninteracting fermions that form Landau levels in a magnetic field, CFs can fill analogous “Lambda” levels, giving rise to the fractional quantum Hall (FQH) effect of electrons. Here, we show that Lambda levels can be directly visualized through the characteristic peak structure in the signal obtained via spectroscopy with scanning tunneling microscopy (STM) on a FQH state. Complementary to transport, which probes the low-energy properties of CFs, we show that high-energy features in STM spectra can be interpreted in terms of Lambda levels. We numerically demonstrate that STM spectra can be accurately modeled using Jain's CF theory. Our results show that STM provides a powerful tool for revealing the anatomy of FQH states and identifying physics beyond the noninteracting CF paradigm.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Beyond the proton drip line: Bayesian analysis of proton-emitting nuclei

The limits of the nuclear landscape are determined by nuclear binding energies. Beyond the proton drip lines, where the separation energy becomes negative, there is not enough binding energy to prevent protons from escaping the nucleus. Predicting properties of unstable nuclear states in the vast territory of proton emitters poses an appreciable challenge for nuclear theory as it often involves far extrapolations. In addition, significant discrepancies between nuclear models in the proton-rich territory call for quantified predictions. With the help of Bayesian methodology, we mix a family of nuclear mass models corrected with statistical emulators trained on the experimental mass measurements, in the proton-rich region of the nuclear chart. Separation energies were computed within nuclear density functional theory using several Skyrme and Gogny energy density functionals. We also considered mass predictions based on two models used in astrophysical studies. Quantified predictions were obtained for each model using Bayesian Gaussian processes trained on separation-energy residuals and combined via Bayesian model averaging. Here, we obtained a good agreement between averaged predictions of statistically corrected models and experiment. In particular, we quantified model results for one- and two-proton separation energies and derived probabilities of proton emission. This information enabled us to produce a quantified landscape of proton-rich nuclei. The most promising candidates for two-proton decay studies have been identified. Finally, the methodology used in this work has broad applications to model-based extrapolations of various nuclear observables. It also provides a reliable uncertainty quantification of theoretical predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

State densities of heavy nuclei in the static-path plus random-phase approximation

We report that nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and must be augmented with empirical collective enhancement factors. Here, we benchmark the static-path plus random-phase approximation (SPA + RPA) to the state density in a chain of samarium isotopes 148–155 Sm against exact results (up to statistical errors) obtained with the shell-model Monte Carlo (SMMC) method. The SPA + RPA method incorporates all static fluctuations beyond the mean field together with small-amplitude quantal fluctuations around each static fluctuation. Using a pairing plus quadrupole interaction, we show that the SPA + RPA state densities agree well with the exact SMMC densities for both the even- and odd-mass isotopes. For the even-mass isotopes, we also compare our results with mean-field state densities calculated with the finite-temperature Hartree-Fock-Bogoliubov (HFB) approximation. We find that the SPA + RPA repairs the deficiencies of the mean-field approximation associated with broken rotational symmetry in deformed nuclei and with the violation of particle-number conservation in the pairing condensate. In particular, in deformed nuclei the SPA + RPA reproduces the rotational enhancement of the state density relative to the mean-field state density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Probing fission fragment angular momenta by photon measurements

We discuss how the measurement of photon angular correlations can reveal information about the orientation of the fission fragment angular momenta. Photons from identified stretched E2 collective transitions in even-even fission product nuclei are particularly suitable because they do not affect the orientation of the nuclear spin. Their angular distribution relative to the direction of a fission fragment may reveal the orientation of the fragment spins relative to the fission axis. A novel means of probing the correlated fission fragment spins is the distribution of the opening angle between E2 photons from even-even partner fragments which reveals the mutual correlation of the fragment spins, if the photon helicities can be determined, demonstrating the potential power of helicity measurements in fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Precision pulse shape simulation for proton detection at the Nab experiment

The Nab experiment at Oak Ridge National Laboratory, USA, aims to measure the beta-antineutrino angular correlation following neutron β decay to an anticipated precision of approximately 0.1%. The proton momentum is reconstructed through proton time-of-flight measurements, and potential systematic biases in the timing reconstruction due to detector effects must be controlled at the nanosecond level. In conclusion, we present a thorough and detailed semiconductor and quasiparticle transport simulation effort to provide precise pulse shapes, and report on relevant systematic effects and potential measurement schemes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Correlating isothermal compressibility to nucleon fluctuations in the inner crust of neutron stars

The question of how and which physical observables or thermodynamic parameters can best predict the onset of a possible phase transition in the inner crust of neutron stars remains largely unresolved. Here, using semiclassical Monte Carlo simulations, we investigate the isothermal compressibility and density fluctuations in a region of relevance to the dynamics of the inner crust. We show that the isothermal compressibility serves as a robust observable to characterize the transition from the nonuniform crust to the uniform core for proton fractions over 0.2. Moreover, we show explicitly how the two-component isothermal compressibility, computed using the Kirkwood-Buff theory, is directly connected to the fluctuations in the number density, recorded in the grand canonical ensemble by monitoring the number of particles in a small volume located at the center of the simulation box. That is, we compute mean-square particle fluctuations and compare them against the isothermal compressibility for different proton fractions. Although our results show that the mean-square particle fluctuations are proportional to the isothermal compressibility, the lack of a perfect correlation is attributed to the relatively small number of particles included in the simulations. The nonunity slope observed in the dimensionless isothermal compressibility—total nucleon fluctuation variance relationship suggests that the inner crust of neutron stars is composed of anisotropic and inhomogeneous matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Mitigating Green's function Monte Carlo signal-to-noise problems using contour deformations

The Green's function Monte Carlo (GFMC) method provides accurate solutions to the nuclear many-body problem and predicts properties of light nuclei starting from realistic two- and three-body interactions. Controlling the GFMC fermion sign problem is crucial, as the signal-to-noise ratio decreases exponentially with imaginary time, requiring significant computing resources. Inspired by similar scenarios in lattice quantum field theory and spin systems, in this work, we employ integration contour deformations to improve the GFMC signal-to-noise ratio. Machine learning techniques are used to select optimal contours with minimal variance from parametrized families of deformations. As a proof of principle, we consider the deuteron binding energies and Euclidean density response functions. Here, we only observe mild signal-to-noise improvement for the binding energy case. On the other hand, we achieve an order of magnitude reduction of the variance for Euclidean density response functions, paving the way for computing electron- and neutrino-nucleus cross sections of larger nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Semiclassical treatment of photon cascades in nuclei

Here, we present a simple semiclassical treatment of photon cascades, suitable for use in nuclear fission simulation codes. The approximation is here developed for E⁢1 and E⁢2 transitions and its quality is illustrated for a variety of two-photon cascades. Implementation of the treatment into Monte Carlo simulations would make it possible to address photon correlation observables quantitatively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Heavy ion collisions from $\sqrt{s_{NN}}$ of 62.4 GeV down to 7.7 GeV in the EPOS4 framework

The EPOS4 project is an attempt to construct a realistic model for describing relativistic collisions of different systems, from proton-proton (𝑝⁢𝑝) to nucleus-nucleus (𝐴⁢𝐴), at energies from several TeV per nucleon down to several GeV. We argue that a parallel scattering formalism (as in EPOS4) is relevant for primary scatterings in 𝐴⁢𝐴 collisions above 4 GeV, whereas sequential scattering (cascade) is appropriate below. We present briefly the basic elements of EPOS4, and then investigate heavy ion collisions from 62.4 GeV down to 7.7 GeV, to understand how physics changes with energy, studying in particular the disappearance of the fluid component at low energies.

Monte Carlo methods↗
DOE OSTI2025

Quark flavor balancing in nuclear collisions

The notion of charge balance function, originally designed to study the evolution of charge production in heavy-ion collisions, is extended to consider quark flavor balancing. This extension is considered based on simulations performed with the PYTHIA 8 event generator in the context of pp collisions at √𝑠 = 13.6, 7, and 2.76 TeV but can be trivially applied to any other scenario and implemented in measurements of correlated particle production in pp, pA, and AA collisions at colliders. Correlation of selected flavor balancing pairs is examined as a function of the produced charged particle multiplicity. One finds that the amplitude of the correlations increases monotonically with the number of balanced flavors and the actual flavor content of correlated particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗