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At least 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2025

Photoinduced frustration modulation in 𝜅-type quantum spin liquid candidates

Geometric frustration is a key parameter controlling electronic and magnetic properties of quantum spin liquid systems, yet remains challenging to tune. Here, we coherently drive molecular vibrations with midinfrared pulses in two organic quantum spin liquid candidates, the insulating 𝜅−(BEDT−TTF) 2⁢ Cu 2 ⁢(CN) 3 and the metallic 𝜅−(BEDT−TTF) 4 ⁢Hg 2.89 ⁢Br 8 , and probe their electronic response through ultrafast reflectivity measurements. We observe a nonlinear coupling between local molecular vibrations and nonlocal phonons, which is expected to directly modulate the geometric frustration of their triangular lattice. Furthermore, our findings establish a promising route to dynamically control frustration in nonbipartite quantum materials.

Frustrated magnetism↗
DOE OSTI2025

Azimuthal anisotropies of charged particles with high transverse momentum in Pb + Pb collisions at $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV with the ATLAS detector

A measurement is presented of elliptic (𝑣 2 ) and triangular (𝑣 3 ) azimuthal anisotropy coefficients for charged particles produced in Pb + Pb collisions at $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV using a dataset corresponding to an integrated luminosity of 0.44nb −1 collected with the ATLAS detector at the LHC in 2018. The values of 𝑣 2 and 𝑣 3 are measured for charged particles over a wide range of transverse momentum (𝑝 T ), 1–400 GeV, and Pb + Pb collision centrality, 0–60%, using the scalar-product and multiparticle cumulant methods. These methods are sensitive to event-by-event fluctuations and nonflow effects in the measurements of azimuthal anisotropies. Positive values of 𝑣 2 are observed up to a 𝑝 T of approximately 100 GeV from both methods across all centrality intervals. Positive values of 𝑣 3 are observed up to approximately 25 GeV using both methods, though the application of the three-subevent technique to the multiparticle cumulant method leads to significant changes at the highest 𝑝 T . At high 𝑝 T (𝑝 T ⪆ 10 GeV), charged particles are dominantly from jet fragmentation. These jets, and hence the measurements presented here, are sensitive to the path-length dependence of parton energy loss in the quark-gluon plasma produced in Pb + Pb collisions.

Collective flow↗
DOE OSTI2025

EuAuSb: An odd-parity helical variation of altermagnetism

EuAuSb is a triangular-lattice Dirac semimetal in which a topological Hall effect has been observed to develop in association with a magnetically ordered phase. Our single-crystal neutron diffraction measurements have identified an incommensurate helical order in which individual ferromagnetic Eu 2+ layers rotate in-plane by ∼ 120° from one layer to the next. An in-plane magnetic field distorts the incommensurate order, eventually leading to a first order transition to a state that is approximately commensurate and that is continuously polarized as the bulk magnetization approaches saturation. From an analysis of the magnetic diffraction intensities versus field, we find evidence for a dip in the ordered in-plane moment at the same field where the topological Hall effect is a maximum, and we propose that this is due to field-induced quantum spin fluctuations. Our electronic structure calculations yield exchange constants compatible with the helical order and show that the bands near the Fermi level lose their spin degeneracy via a mechanism similar to that in the collinear altermagnets. In conclusion, we find that, unlike the even symmetry seen in the altermagnets, the spin splitting in EuAuSb has odd-wave symmetry similar to that recently found in a number of coplanar magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Interacting Dirac magnons in the van der Waals ferromagnet CrBr 3

We study the effects of magnon-magnon interactions in the two-dimensional van der Waals ferromagnet CrBr 3 focusing on its honeycomb lattice structure. Motivated by earlier theoretical predictions of temperature-induced spectral shifts and van Hove singularities in the magnon dispersion [S. S. Pershoguba et al., Phys. Rev. X 8, 011010 (2018)], we go beyond the commonly used thermal magnon approximation by applying second-order perturbation theory in a fully numerical framework. Our analysis uncovers significant deviations from previous analysis: in particular, the predicted singularities are absent, consistent with recent inelastic neutron scattering measurements [S. E. Nikitin et al ., Phys. Rev. Lett. 129, 127201 (2022)]. Moreover, we find that the temperature dependence of the renormalized magnon spectrum exhibits a distinct 𝑇 3 behavior for the optical magnon branch, while retaining 𝑇 2 behavior for the acoustic or down magnon band. This feature sheds light on the collective dynamics of Dirac magnons and their interactions. We further compare the honeycomb case with a triangular Bravais lattice, relevant for ferromagnetic monolayer MnBi 2 ⁢Te 4 , and show that both systems lack singular features while displaying quite distinct thermal trends.

Holstein-Primakoff method↗
DOE OSTI2019

Spin-valley density wave in moiré materials

We introduce and study a minimum two-orbital Hubbard model on a triangular lattice, which captures the key features of both the trilayer ABC-stacked graphene-boron nitride heterostructure and twisted transition metal dichalcogenides in a broad parameter range. Our model comprises first- and second-nearest neighbor hoppings with valley-contrasting flux that accounts for trigonal warping in the band structure. For the strong-coupling regime with one electron per site, we derive a spin-orbital exchange Hamiltonian and find the semiclassical ground state to be a spin-valley density wave. Furthermore, we show that a relatively small second-neighbor exchange interaction is sufficient to stabilize the ordered state against quantum fluctuations. Effects of spin- and valley Zeeman fields as well as thermal fluctuations are also examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Critical field behavior of a multiply connected superconductor in a tilted magnetic field

We report magnetotransport measurements of the critical field behavior of thin Al films deposited onto multiply connected substrates. In this work, the substrates were fabricated via a standard electrochemical process that produced a triangular array of 66-nm-diameter holes having a lattice constant of 100 nm. The critical field transition of the Al films was measured near $T_c$ as a function of field orientation relative to the substrate normal. With the field oriented along the normal (θ = 0), we observe reentrant superconductivity at a characteristic matching field $H_m$ = 0.22 T, corresponding to one flux quantum per hole. In tilted fields, the position $H^{\ast}$ of the reentrance feature increases as sec (θ), but the resistivity traces are somewhat more complex than those of a continuous superconducting film. We show that when the tilt angle is tuned such that $H^{\ast}$ is of the order of the upper critical field $H_c$, the entire critical region is dominated by the enhanced dissipation associated with a submatching perpendicular component of the applied field. At higher tilt angles a local maximum in the critical field is observed when the perpendicular component of the field is equal to the matching field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic monopoles and toroidal moments in LuFeO 3 and related compounds

Magnetic monopoles and toroidal order are compelling features that have long been theorized but remain elusive in real materials. Multiferroic hexagonal ferrites and manganites are an interesting realization of frustrated triangular lattice of spins, where magnetic order is interacting with ferroelectricity and trimerization. In this paper, we discuss a microscopic mechanism by which trimerization leads to a modulation of magnetic exchanges, and therefore magnetic monopolar and toroidal orders emerge from the combination of 120° antiferromagnetism and trimerization. The experimentally observable signatures of magnetic monopolar and toroidal orders are identified in the inelastic neutron scattering cross section, simulated from a microscopic model of LuFeO 3 . The nonreciprocal magnon propagation is demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nanoscale degeneracy lifting in a geometrically frustrated antiferromagnet

The local atomic and magnetic structures of the compounds A MnO 2 (A = Na, Cu), which realize a geometrically frustrated, spatially anisotropic triangular lattice of Mn spins, have been investigated by atomic and magnetic pair distribution function analysis of neutron total scattering data. Relief of frustration in CuMnO 2 is accompanied by a conventional cooperative symmetry-lowering lattice distortion driven by Néel order. In NaMnO 2 , however, the distortion has a short-range nature. A cooperative interaction between the locally broken symmetry and short-range magnetic correlations lifts the magnetic degeneracy on a nanometer length scale, enabling long-range magnetic order in the Na derivative. The degree of frustration, mediated by residual disorder, contributes to the rather differing pathways to a single, stable magnetic ground state in these two related compounds. This study demonstrates how nanoscale structural distortions that cause local-scale perturbations can lift the ground-state degeneracy and trigger macroscopic magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Crystal-field Hamiltonian and anisotropy in KErSe 2 and CsErSe 2

We use neutron scattering and bulk property measurements to determine the single-ion crystal-field Hamiltonians of delafossites KErSe 2 and CsErSe 2 . These two systems contain planar equilateral triangular Er lattices arranged in two stacking variants: rhombohedral (for K) or hexagonal (Cs). Our analysis shows that regardless of the stacking order both compounds exhibit an easy-plane ground-state doublet with large J z =1/2 terms and the potential for significant quantum effects, making them candidates for quantum-spin-liquid or other exotic ground states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Rotational transition, domain formation, dislocations, and defects in vortex systems with combined sixfold and twelvefold anisotropic interactions

We introduce a phenomenological model for a pairwise repulsive interaction potential of vortices in a type-II superconductor, consisting of superimposed sixfold and twelvefold anisotropies. Using numerical simulations we study how the vortex lattice configuration varies as the magnitudes of the two anisotropic interaction terms change. A triangular lattice appears for all values, and rotates through 30 ° as the ratio of the sixfold and twlevefold anisotropy amplitudes is varied, in agreement with experimental results. The transition causes the vortex lattice to split into domains that have rotated clockwise or counterclockwise, with grain boundaries that are “decorated” by dislocations consisting of fivefold and sevenfold coordinated vortices. We also find intradomain dislocations and defects, and characterize them in terms of their energy cost. We discuss how this model could be generalized to other particle-based systems with anisotropic interactions, such as colloids, and consider the limit of very large anisotropy where it is possible to create cluster crystal states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Antichiral spin order, its soft modes, and their hybridization with phonons in the topological semimetal Mn 3 Ge

Here we report the magnetic structure and spin excitations of Mn 3 Ge , a breathing kagome antiferromagnet with transport anomalies attributed to Weyl nodes. Using polarized neutron diffraction, we show the magnetic order is a k = 0 coplanar state belonging to a Γ 9 irreducible representation, which can be described as a perfect 120 ° antichiral structure with a moment of 2.2(1) μ B /Mn, superimposed with weak collinear ferromagnetism. Inelastic neutron scattering shows three collective Q = 0 excitations at Δ 1 = 2.9 ( 6 ) meV, Δ 2 = 14.6 ( 3 ) meV, and Δ 3 = 17.5 ( 3 ) meV. A field theory of Q ≈ 0 spin waves in triangular antiferromagnets with a 120 ° spin structure was used to classify these modes. The in-plane mode ( α ) is gapless, Δ 1 is the gap to a doublet of out-of-plane spin excitations ( β x , β y ), and Δ 2 , Δ 3 result from hybridization of optical phonons with magnetic excitations. While a phenomenological spin Hamiltonian including exchange interactions, Dzyaloshinskii-Moriya interactions, and single-ion crystal field terms can describe aspects of the Mn-based magnetism, spin-wave damping [ Γ = 25 ( 8 ) meV] and the extended range of magnetic interactions indicate itinerant magnetism consistent with the transport anomalies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗