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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO 4

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO 4 , an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4 f orbitals of the thulium (Tm 3 + ) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along the c axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4 f degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO 4 as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-duality under gauging a non-invertible symmetry

Abstract We discuss two-dimensional conformal field theories (CFTs) which are invariant under gauging a non-invertible global symmetry. At every point on the orbifold branch ofc= 1 CFTs, it is known that the theory is self-dual under gauging a ℤ 2 × ℤ 2 symmetry, and has Rep(H 8 ) and Rep(D 8 ) fusion category symmetries as a result. We find that gauging the entire Rep(H 8 ) fusion category symmetry maps the orbifold theory at radiusRto that at radius 2/R. AtR=$$ \sqrt{2} $$ 2 , which corresponds to two decoupled Ising CFTs (Ising 2 in short), the theory is self-dual under gauging the Rep(H 8 ) symmetry. This implies the existence of a topological defect line in the Ising 2 CFT obtained from half-space gauging of the Rep(H 8 ) symmetry, which commutes with thec= 1 Virasoro algebra but does not preserve the fully extended chiral algebra. We bootstrap its action on thec= 1 Virasoro primary operators, and find that there are no relevant or marginal operators preserving it. Mathematically, the new topological line combines with the Rep(H 8 ) symmetry to form a bigger fusion category which is a ℤ 2 -extension of Rep(H 8 ). We solve the pentagon equations including the additional topological line and find 8 solutions, where two of them are realized in the Ising 2 CFT. Finally, we show that the torus partition functions of the Monster 2 CFT and Ising×Monster CFT are also invariant under gauging the Rep(H 8 ) symmetry.

Physics↗
DOE OSTI2026

Emergent quasi-one-dimensional antiferromagnetism in the distorted kagome magnet CePtPb

CePtPb hosts a distorted kagome lattice of Ce 3+ ions, providing a clean platform to investigate how reduced local symmetry and strong spin-orbit coupling reshape frustrated magnetism. Magnetization, specific heat, and magnetocaloric effect measurements, combined with a symmetry analysis of the single-ion anisotropy, demonstrate that the local 𝑚⁢2⁢𝑚 site symmetry selects a nearly Ising-like Kramers doublet with easy axes lying within the 𝑎⁢𝑏 plane. This results in three distinct in-plane Ising directions and an overall easy-plane anisotropy. The low-energy magnetic response is well captured by a three-sublattice Ising model, which quantitatively reproduces the saturation magnetization for arbitrary in-plane field orientations, including $[110]$ and $[1\bar{⁢1}⁢0]$, as well as the ratio of the field-induced critical fields. For 𝐵∥$[110]$, the phase diagram exhibits two quantum critical points at 𝐵 c⁢1 = 0.25T and 𝐵 c⁢2 = 0.55T, arising from the sequential polarization of the three Ising sublattices. In conclusion, these results reveal that the system develops quasi-one-dimensional spin chains along the 𝑐 axis, emerging from the nominally three-dimensional crystal structure composed of stacked kagome layers, and illustrate how reduced local symmetry can drive effective dimensional reduction in rare-earth Ising magnets.

Li, Fangli [Southern University of Science and Tec↗
DOE OSTI2024

Crack‐Free Single‐Crystalline LiNiO 2 for High Energy Density All‐Solid‐State Batteries

Abstract Single‐crystalline layered oxide (LiNi 1‐ x ‐ y Mn x Co y O 2 ) cathodes have been found to exhibit exceptional electrochemical properties when coupled with various inorganic solid electrolytes (ISEs) in all‐solid‐state batteries (ASSBs). Their advantages stem from the robust morphological integrity with the absence of grain boundaries and the high electrochemical oxidative stability. Here, ASSBs featuring single‐crystalline LiNiO 2 (LNO) with the highest Ni content are reported, offering a high theoretical specific capacity of 275 mAh g ‐1 alongside a high average discharge voltage (3.7 V vs Li + /Li). Through a careful investigation, it is demonstrated that micron‐sized single‐crystalline LNO (µSC‐LNO) composite cathodes with a halide ISE exhibit a high initial discharge capacity of 205 mAh g ‐1 with an outstanding cycle performance over 200 cycles in room‐temperature ASSBs. The significance of engineering parameters is emphasized, such as particle size and specific density, in promoting a homogeneous and fast Li + transport within the composite cathodes. Furthermore, the formation of undesirable interphase between the halide ISE in the cathode and sulfide ISE separator is elucidated, which may be a critical factor impeding long‐term cyclability of ASSBs. This work provides insights into the design of composite cathodes for high‐energy‐density ASSBs.

Chemistry↗
DOE OSTI2024

Gate-Controlled Anyon Generation and Detection in Kitaev Spin Liquids

Reliable manipulation of non-Abelian Ising anyons supported by Kitaev spin liquids may enable intrinsically fault-tolerant quantum computation. Here, we introduce a standalone scheme for both generating and detecting individual Ising anyons using tunable gate voltages in a heterostructure containing a non-Abelian Kitaev spin liquid and a monolayer semiconductor. In this study, the key ingredients of our setup are a Kondo coupling to stabilize an Ising anyon in the spin liquid around each electron in the semiconductor, and a large charging energy to allow control over the electron numbers in distinct gate-defined regions of the semiconductor. In particular, a single Ising anyon can be generated at a disk-shaped region by gate tuning its electron number to one, while it can be interferometrically detected by measuring the electrical conductance of a ring-shaped region around it whose electron number is allowed to fluctuate between zero and one. We provide concrete experimental guidelines for implementing our proposal in promising candidate materials like α-RuCl 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Site-decorated model for unconventional frustrated magnets: Ultranarrow phase crossover and two-dimensional spin reversal transition

Here, the site-decorated Ising model is introduced to advance the understanding and experimental realization of the recently discovered one-dimensional (1D) finite-temperature ultranarrow phase crossover in an external magnetic field, while mitigating the geometric complexities of traditional bond-decorated models. The unconventional frustration and physics are clarified by exactly mapping the 1D site-decorated Ising model in a magnetic field onto a zero-field bond-decorated 𝐽 1 −𝐽 2 Ising model with conventional geometrical frustration. Furthermore, although higher-dimensional Ising models in an external field remain unsolved exactly, an exact solution for a spin-reversal transition—driven by an exotic, hidden half-ice, half-fire state induced by site decoration—is derived. This transition, triggered by a slight variation in temperature or magnetic field—without changing its direction—even in the weak-field limit, offers a promising route toward energy-efficient applications such as data storage and processing. The results suggest that site decoration offers an avenue for materials and device design, particularly in systems such as mixed 𝑑−𝑓 compounds, optical lattices, and neural networks, calling for further studies with site-decorated Heisenberg models. In addition, the site-decorated model offers a rigorous test ground for artificial intelligence (AI) in science, as the analytic derivation of the present results was not only validated but also improved by a general-purpose large language model, inspiring the use of AI as scientific discoverer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

DS-GL: Advancing Graph Learning via Harnessing the Power of Nature within Dynamic Systems

With the rapid digitization of the world, an increasing number of real-world applications are turning to nonEuclidean data, modeled as graphs. Due to their intrinsic high complexity and irregularity, learning from graph data demands tremendous computational power. Recently, CMOS-compatible Ising machines, i.e., dynamic systems composed of CMOS components, have emerged as a new approach that harnesses the inherent power of natural annealing within dynamic systems to efficiently resolve binary optimization problems and have been adopted for traditional graph computation, such as max-cut. However, when performing complex Graph Learning (GL) tasks, Ising machines face significant hurdles: (i) they are inherently binary and thus ill-suited for real-valued problems; (ii) their expensive all-to-all coupling network that guarantees effective natural annealing poses daunting scalability concerns. To address these challenges, this paper proposes a nature-powered graph learning framework dubbed DS-GL, which is the first effort to transform the process of solving graph learning problems into the natural annealing process within a parameterized dynamic system embodied as a CMOS chip. To tackle the two major hurdles, DS-GL first augments the Ising machine architecture to modify the self-reaction term of its Hamiltonian function from linear to quadratic, effectively serving as an energy regulator. This adjustment maintains the system’s original physical interpretation while enabling it to process continuous, real-valued data. Second, to address the scaling issue, DS-GL further upgrades the real-valued dense Ising machine by decomposing it into a mesh-based multi-PE dynamic system that supports efficient distributed spatial-temporal co-annealing across different PEs through sparse interconnects. By exploiting the inherent sparsity and component structures in real-world graphs, DS-GL is able to map complex graph learning tasks onto the scalable dynamic system while maintaining high accuracy. Evaluations with three diverse GL applications across six real-world datasets, including traffic flow and COVID-19 prediction, show that DS-GL can deliver from 102× to 106× speedups and 500× energy reduction over Graph Neural Networks on GPUs, with 5% - 20% accuracy enhancement.

Song, Ruibing↗
DOE OSTI2026

Electrochemical testing of metals for petroleum wastewater monitoring

The purpose of this project was to determine the feasibility of ion-selective electrode (ISE) as compared to x-ray fluorescence (XRF) for determining the concentrations of metal ions in petroleum wastewater. ISEs for silver and cadmium were tested in a laboratory under increasingly realistic conditions, then deployed in the sewer wastewater monitoring complex to simulate a petroleum wastewater system. By verifying the ISE calibration after wastewater exposure and comparing its measurements to the XRF systems within the wastewater monitoring system, we determined that the ISE is more sensitive but less feasible for use in live wastewater monitoring due to fouling concerns.

Energy - Petroleum↗
DOE OSTI2023

Noise dynamics of quantum annealers: estimating the effective noise using idle qubits

Quantum annealing is a type of analog computation that aims to use quantum mechanical fluctuations in search of optimal solutions of QUBO (quadratic unconstrained binary optimization) or, equivalently, Ising problems. Since NP-hard problems can in general be mapped to Ising and QUBO formulations, the quantum annealing paradigm has the potential to help solve various NP-hard problems. Current quantum annealers, such as those manufactured by D-Wave Systems, Inc. have various practical limitations including the size (number of qubits) of the problem that can be solved, the qubit connectivity, and error due to the environment or system calibration, which can reduce the quality of the solutions. Typically, for an arbitrary problem instance, the corresponding QUBO (or Ising) structure will not natively embed onto the available qubit architecture on the quantum chip. Thus, in these cases, a minor embedding of the problem structure onto the device is necessary. However, minor embeddings on these devices do not always make use of the full sparse chip hardware graph, and a large portion of the available qubits stay unused during quantum annealing. In this work, we embed a disjoint random QUBO on the unused parts of the chip alongside the QUBO to be solved, which acts as an indicator of the solution quality of the device over time. Using experiments on three different D-Wave quantum annealers, we demonstrate that (i) long term trends in solution quality exist on the D-Wave device, and (ii) the unused qubits can be used to measure the current level of noise of the quantum system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Spin dynamics of the generalized quantum spin compass chain

Here we calculate the dynamical spin structure factor of the generalized spin-1/2 compass spin chain using the density matrix renormalization group. The model, also known as the twisted Kitaev spin chain, was recently proposed to be relevant for the description of the spin chain compound CoNb 2 O 6 . It features bond-dependent interactions and interpolates between an Ising chain and a one-dimensional variant of Kitaev's honeycomb spin model. The structure factor, in turn, is found to interpolate from gapped and nondispersive in the Ising limit to gapless with nontrivial continua in the Kitaev limit. In particular, the component of the structure factor perpendicular to the Ising directions changes abruptly at the Kitaev point into a dispersionless continuum due to the emergence of an extensive ground-state degeneracy. We show this continuum is consistent with analytical Jordan-Wigner results. We also discuss implications for future inelastic scattering experiments and applications to materials, particularly CoNb 2 O 6 .

1-dimensional spin chains↗
DOE OSTI2021

Direct Observation of Collective Electronuclear Modes about a Quantum Critical Point

We directly measure the low energy excitation modes of the quantum Ising magnet LiHoF 4 using microwave spectroscopy. Instead of a single electronic mode, we find a set of collective electronuclear modes, in which the spin-1/2 Ising electronic spins hybridize with the bath of spin-7/2 Ho nuclear spins. The lowest-lying electronuclear mode softens at the approach to the quantum critical point, even in the presence of disorder. This softening is rapidly quenched by a longitudinal magnetic field. Similar electronuclear structures should exist in other spin-based quantum Ising systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Effective and asymptotic criticality of structurally disordered magnets

Changes in magnetic critical behaviour of quenched structurally-disordered magnets are usually exemplified in experiments and in MC simulations by diluted systems consisting of magnetic and non-magnetic components. In our study we aim to show that similar effects can be observed not only for diluted magnets with non-magnetic impurities but may be implemented, e.g., by the presence of two (and more) chemically different magnetic components as well. Therefore we consider a model of the structurally-disordered quenched magnet where all lattice sites are occupied by Ising-like spins of different lengths L. In such a random spin length Ising model, the length L of each spin is a random variable governed by the distribution function p (L). We demonstrate that this model belongs to the universality class of the site-diluted Ising model. This proves that both models are described by the same values of asymptotic critical exponents. However, their effective critical behaviour differs. As a case study, we consider a quenched mixture of two different magnets with values of elementary magnetic moments L 1 = 1 and L 2 = s, and of concentration c and 1 - c, correspondingly. We apply field-theoretical renormalization group approach to analyse the renormalization group flow for different initial conditions, triggered by s and c, and to calculate effective critical exponents further away from the fixed points of the renormalization group transformation. We show how the effective exponents are governed by difference in properties of the magnetic components.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Exploring the origins of the indentation size effect at submicron scales

Significance Downscaling material structure into ever-decreasing levels for modern technological advancements demands small-scale mechanical characterizations of materials, such as nanoindentation. Thus, a comprehensive understanding of indentation size effect (ISE) has a far-reaching impact, but such understanding remains incomplete at the submicron scale despite a decades-long quest since the 1980s. Here, we explored the origins of this effect experimentally by linking dislocation behavior evolution with nanoindentation mechanical data at various depths. Importantly, the dislocation behavior is found to be strongly depth dependent and gives rise to subgrain formation progressively. Aided by subgrain boundaries, the ISE mechanism transitions from dislocation source starvation to dislocation interaction as indentation depth increases. The critical mechanism transition elucidates the distinctive ISE behavior at the submicron scale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A statistical mechanism for operator growth

It was recently conjectured that in generic quantum many-body systems, the spectral density of local operators has the slowest high-frequency decay as permitted by locality. We show that the infinite-temperature version of this ‘universal operator growth hypothesis’ holds for the quantum Ising spin model in d ≥ 2 dimensions, and for the chaotic Ising chain (with longitudinal and transverse fields) in one dimension. Moreover, the disordered chaotic Ising chain that exhibits many-body localization can have the same high-frequency spectral density asymptotics as thermalizing models. Our argument is statistical in nature, and is based on the observation that the moments of the spectral density can be written as a sign-problem-free sum over paths of Pauli string operators.

Physics↗
DOE OSTI2021

On the degeneracy of spin ice graphs, and its estimate via the Bethe permanent

The concept of spin ice can be extended to a general graph. We study the degeneracy of spin ice graph on arbitrary interaction structures via graph theory. We map spin ice graphs to the Ising model on a graph and clarify whether the inverse mapping is possible via a modified Krausz construction. From the gauge freedom of frustrated Ising systems, we derive exact, general results about frustration and degeneracy. We demonstrate for the first time that every spin ice graph, with the exception of the one-dimensional Ising model, is degenerate. We then study how degeneracy scales in size, using the mapping between Eulerian trails and spin ice manifolds, and a permanental identity for the number of Eulerian orientations. Furthermore, we show that the Bethe permanent technique provides both an estimate and a lower bound to the frustration of spin ices on arbitrary graphs of even degree. While such a technique can also be used to obtain an upper bound, we find that in all finite degree examples we studied, another upper bound based on Schrijver inequality is tighter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Diagnosis of information scrambling from Hamiltonian evolution under decoherence

We apply a quantum teleportation protocol based on the Hayden-Preskill thought experiment to quantify how scrambling a given quantum evolution is. It has an advantage over the direct measurement of out-of time ordered correlators when used to diagnose the information scrambling in the presence of decoherence effects stemming from a noisy quantum device. We demonstrate the protocol by applying it to two physical systems: Ising spin chain and SU(2) lattice Yang-Mills theory. To this end, we numerically simulate the time evolution of the two theories in the Hamiltonian formalism. The lattice Yang-Mills theory is implemented with a suitable truncation of Hilbert space on the basis of the Kogut-Susskind formalism. On a two-leg ladder geometry and with the lowest nontrivial spin representations, it can be mapped to a spin chain, which we call Yang-Mills-Ising model and is also directly applicable to future digital quantum simulations. Here, we find that the Yang-Mills-Ising model shows the signal of information scrambling at late times.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Operator product expansion for radial lattice quantization of 3D ϕ 4 theory

At its critical point, the three-dimensional lattice Ising model is described by a conformal field theory (CFT), the 3D Ising CFT. Instead of carrying out simulations on Euclidean lattices, we use the quantum finite elements method to implement radially quantized critical ϕ 4 theory on simplicial lattices approaching R × S 2 . Computing the four-point function of identical scalars, we demonstrate the power of radial quantization by the accurate determination of the scaling dimensions Δ ε and Δ T as well as ratios of the operator product expansion coefficients f σ σ ε and f σ σ T of the first spin-0 and spin-2 primary operators ε and T of the 3D Ising CFT. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗