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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Impact of the Lattice on Magnetic Properties and Possible Spin Nematicity in the S = 1 Triangular Antiferromagnet NiGa 2 S 4

NiGa 2 S 4 is a triangular lattice S = 1 system with strong two dimensionality of the lattice, actively discussed as a candidate to host spin-nematic order brought about by strong quadrupole coupling. Using Raman scattering spectroscopy we identify a phonon of E g symmetry which can modulate magnetic exchange J 1 and produce quadrupole coupling. Additionally, our Raman scattering results demonstrate a loss of local inversion symmetry on cooling, which we associate with sulfur vacancies. This will lead to disordered Dzyaloshinskii-Moriya interactions, which can prevent long-range magnetic order. Using magnetic Raman scattering response we identify 160 K as a temperature of an upturn of magnetic correlations. Here, the temperature range below 160 K, but above 50 K where antiferromagnetic correlations start to increase, is a candidate for spin-nematic regime.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tunable Lattice Reconstruction, Triangular Network of Chiral One-Dimensional States, and Bandwidth of Flat Bands in Magic Angle Twisted Bilayer Graphene

The interplay between interlayer van der Waals interaction and intralayer lattice distortion can lead to structural reconstruction in slightly twisted bilayer graphene (TBG) with the twist angle being smaller than a characteristic angle θ c . Experimentally, the θ c is demonstrated to be very close to the magic angle (θ≈1.08°). Here we address the transition between reconstructed and unreconstructed structures of the TBG across the magic angle by using scanning tunneling microscopy (STM). Our experiment demonstrates that both structures are stable in the TBG around the magic angle. By using a STM tip, we show that the two structures can be changed to each other and a triangular network of chiral one-dimensional states hosted by domain boundaries can be switched on and off. Consequently, the bandwidth of the flat band, which plays a vital role in the emergent strongly correlated states in the magic angle TBG, is tuned. This provides an extra control knob to manipulate the exotic electronic states of the TBG near the magic angle.

1-dimensional systems↗
DOE OSTI2021

Four-Spin Terms and the Origin of the Chiral Spin Liquid in Mott Insulators on the Triangular Lattice

At strong repulsion, the triangular-lattice Hubbard model is described by s=1/2 spins with nearest-neighbor antiferromagnetic Heisenberg interactions and exhibits conventional 120° order. Using the infinite density matrix renormalization group and exact diagonalization, we study the effect of the additional four-spin interactions naturally generated from the underlying Mott-insulator physics of electrons as the repulsion decreases. Although these interactions have historically been connected with a gapless ground state with emergent spinon Fermi surface, we find that, at physically relevant parameters, they stabilize a chiral spin liquid (CSL) of Kalmeyer-Laughlin (KL) type, clarifying observations in recent studies of the Hubbard model. Finally, we present a self-consistent solution based on a mean-field rewriting of the interaction to obtain a Hamiltonian with similarities to the parent Hamiltonian of the KL state, providing a physical understanding for the origin of the CSL.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Measurements of the Elliptic and Triangular Azimuthal Anisotropies in Central He 3 + Au , d + Au and p + Au Collisions at s N N = 200 GeV

The elliptic (v 2 ) and triangular (v 3 ) azimuthal anisotropy coefficients in central 3He + Au, d + Au, and p + Au collisions at $\sqrt{S_{NN}}$ = 200 GeV are measured as a function of transverse momentum (P T ) at midrapidity (|n| < 0.9) via the azimuthal angular correlation between two particles both at |n| < 0.9 while the v 2 (P T ) values depend on the colliding systems, the v 3 (P T ) values are system independent within the uncertainties, suggesting an influence on eccentricity from subnucleonic fluctuations in these small-sized systems. Furthermore, these results also provide stringent constraints for the hydrodynamic modeling of these systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe 2

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalization to study the spin dynamics in the perfect triangular-lattice antiferromagnet (TLAF) CsCeSe 2 . This material orders into a stripe phase, which is demonstrated to arise as a consequence of the off-diagonal bond-dependent terms in the spin Hamiltonian. By studying the spin dynamics at intermediate fields, we identify an interaction between the single-magnon state and the two-magnon continuum that causes decay of coherent magnon excitations, level repulsion, and transfer of spectral weight to the continuum that are controlled by the strength of the magnetic field. Our results provide a microscopic mechanism for the stabilization of the stripe phase in TLAF and show how complex many-body physics can be present in the spin dynamics in a magnet with strong Kitaev coupling even in an ordered ground state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spirals and skyrmions in antiferromagnetic triangular lattices

In this work, we study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal atoms (Cr, Mn, Fe, or Co) on a monolayer of MoS 2 , WS 2 , or WSe 2 and obtain the exchange, anisotropy, and Dzyaloshinskii-Moriya interaction parameters using first-principles calculations. Using energy minimization and parallel-tempering Monte Carlo simulations, we determine the magnetic phase diagrams for a wide range of interaction parameters. We find that skyrmion lattices can appear even with weak Dzyaloshinskii-Moriya interactions, but their stability is hindered by magnetic anisotropy. However, a weak easy plane magnetic anisotropy can be beneficial for stabilizing the skyrmion phase. Our results suggest that Cr/MoS 2 , Fe/MoS 2 , and Fe/WSe 2 interfaces can host spin spirals formed from the 120 degrees antiferromagnetic states. Our results further suggest that for interfaces, such as Fe/MoS 2 , the Dzyaloshinskii-Moriya interaction is strong enough to drive the system into a three-sublattice skyrmion lattice in the presence of experimentally feasible external magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic order in the S eff =1/2 triangular-lattice compound NdCd 3 ⁢P 3

Here, we present and characterize a new member of the R⁢Cd 3 ⁢P 3 (R=rare earth) family of materials, NdCd 3 ⁢P 3 , which possesses Nd 3+ cations arranged on well-separated triangular lattice layers. Magnetic susceptibility and heat capacity measurements demonstrate a likely S eff =1/2 ground state, and also reveal the formation of long-range antiferromagnetic order at T N =0.34K. Via measurements of magnetization, heat capacity, and electrical resistivity, we characterize the electronic properties of NdCd 3 ⁢P 3 and compare results to density functional theory calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Random singlet-like state in the dimer-based triangular antiferromagnet Ba 6 Y 2 Rh 2 Ti 2 O 17 − δ

We present the magnetic, thermodynamic, and muon spin relaxation ( μ SR ) results of the dimer-based triangular antiferromagnet Ba 6 Y 2 Rh 2 Ti 2 O 17 − δ . The magnetic susceptibility data show the sub-Curie-Weiss behavior χ ( T ) ∝ T − α χ below 100 K, suggesting random magnetism. The isothermal magnetization results reveal the presence of weakly interacting structural orphan spins about 6.1 % at 2 K, arising from the oxygen deficiency. The comprehensive μ SR experiments exhibit the coexisting relaxing and nonrelaxing components along with the thermally activated behavior in the muon spin relaxation rate, reflecting the fluctuating orphan spins in the dimer singlet background. In addition, we observe the scaling behavior of M ( H , T ) in H / T and P z ( t ) in t / H LF with the scaling exponents α χ = α M = 0.75 and α μ = 0.72 , respectively, but not for the magnetic specific heat data. The failure of the scaling relation in C m ( H , T ) / T implies low-energy excitations dressed by the conventional orphan spins. Based on these observations, we find that the magnetic ground state resembles random singlets and discuss the possible configurations of the spin dimer unit Rh 2 O 9 . Our results shed light on the role of quenched disorder in the dimer-based frustrated magnets. Published by the American Physical Society 2024

Lee, Wonjun (ORCID:000000034848852X)↗
DOE OSTI2024

Particle-Hole Asymmetric Ferromagnetism and Spin Textures in the Triangular Hubbard-Hofstadter Model

In a lattice model subject to a perpendicular magnetic field, when the lattice constant is comparable to the magnetic length, one enters the “Hofstadter regime,” where continuum Landau levels become fractal magnetic Bloch bands. Strong mixing between bands alters the nature of the resulting quantum phases compared to the continuum limit; lattice potential, magnetic field, and Coulomb interaction must be treated on equal footing. Using determinant quantum Monte Carlo and density matrix renormalization group techniques, we study this regime numerically in the context of the Hubbard-Hofstadter model on a triangular lattice. In the field-filling phase diagram, we find a broad wedge-shaped region of ferromagnetic ground states for filling factor ν ≤ 1 , bounded below by filling factor ν = 1 and bounded above by half filling the lowest Hofstadter subband. We observe signatures of SU(2) quantum Hall ferromagnetism at filling factors ν = 1 and ν = 3 . The phases near ν = 1 are particle-hole asymmetric, and we observe a rapid decrease in ground-state spin polarization consistent with the formation of skyrmions only on the electron doped side. At large fields, above the ferromagnetic wedge, we observe a low-spin metallic region with spin correlations peaked at small momenta. We argue that the phenomenology of this region likely results from exchange interaction mixing fractal Hofstadter subbands. The phase diagram derived beyond the continuum limit points to a rich landscape to explore interaction effects in magnetic Bloch bands. Published by the American Physical Society 2024

Ding, Jixun K.↗
DOE OSTI2025

Investigation of an octupole breathing mode of 208 Pb as a resolution to the elliptical-to-triangular azimuthal anisotropy puzzle in ultracentral relativistic heavy ion collisions

Relativistic heavy ion collisions provide a unique opportunity to probe the nuclear structure by taking an instantaneous snapshot of the colliding nuclei and converting it into momentum anisotropies of final emitted hadrons. A long-standing puzzle of too large a ratio of the elliptical-to-triangular (𝑣 2 -to-𝑣 3 ) anisotropies in ultracentral 208 Pb + 208 Pb collisions at the Large Hadron Collider (LHC) cannot be solved simply by hydrodynamic simulations with initial conditions containing the spherical or certain deformed shape of 208 Pb. Here, in this Letter, using the iEBE-VISHNU relativistic viscous hydrodynamic hybrid model simulations with the TR⁢ENTo initial condition, we show that a dynamic octupole deformation—a shape-breathing mode of 208 Pb —could potentially solve the 𝑣2-to-𝑣3 puzzle and simultaneously describe the 𝑣 3 ⁡{4} data measured in experiment. Our results highlight the unique capability of capturing transient collective properties of nuclei on yoctosecond (10 −24 s) timescales, unfeasible with low-energy nuclear reactions.

Xu, Hao-jie [Huzhou University, Zhejiang (China)] ↗
DOE OSTI2026

Experimental confirmation of the magnetic ordering transition induced by an electronic structure change in the metallic triangular antiferromagnet Co 1/3⁢ TaS 2

We report angle-resolved photoemission spectroscopy (ARPES) studies combined with DFT+DMFT calculations to confirm that the magnetic ordering vector transition from Q=(1/2,0,0) to Q=(1/3,0,0) in the metallic triangular antiferromagnets Co 1/3±𝜀⁢ TaS 2 (𝜀 ≈ 0.007) is induced by the electronic structure change in the system. The ARPES-measured Fermi surface (FS) maps of Co 0.325 ⁢TaS 2 show two hexagonal and one circular holelike FSs around Γ, which matches well with the triple- Q state by taking into account the contribution of nesting vectors occurring between Co 3⁢𝑑 and Ta 5⁢𝑑 orbitals. In the case of Co 0.340 ⁢TaS 2 , a new electron pocket around K appears, and the FS geometry changes as a result of the correlation effect of Co 4 ⁢S 18 tripods forming in the system. The magnetic susceptibility calculations based on the charge-self-consistent DFT+DMFT band structures and the random phase approximation indicate that the most stable magnetic ordering vector (1/2,0,0) split into (1/6,0,0) and (1/2,0,0), which is consistent with the magnetic phase transition around 𝑥=1/3 in Co 𝑥 ⁢TaS 2 .

Fermi surface↗
DOE OSTI2026

Quenched disorder in the triangular lattice antiferromagnet YbZn 2⁢ GaO 5

We investigate the crystal electric field (CEF) excitations of Yb 3+ ions in powder samples of the triangular-lattice rare-earth-based antiferromagnet YbZn 2⁢ GaO 5 using inelastic neutron scattering (INS). Three CEF excitations from the ground-state Kramers doublet were observed, each exhibiting significant broadening beyond instrumental resolution. Combining temperature-dependent INS and neutron powder diffraction, we identify a significant static contribution to this broadening and attribute it to heterogeneous coordination of Yb 3+ ions due to Ga 3+ /Zn 2+ site mixing. Rietveld refinement of neutron powder diffraction indicates that 35% of Ga occupies the Zn site and 60% of Zn occupies the Ga site. We show with a point charge model for the CEF Hamiltonian that heterogeneous coordination of Yb3+ ions leads to broadened CEF peaks. First-principles calculations demonstrate that the random Ga 3+ /Zn 2+ distribution can produce the distortions of the YbO 6 octahedra observed from neutron diffraction. Because the documented heterogeneity will extend to exchange interactions, our results suggest that disorder is a significant factor in the unusual magnetism previously reported in YbZn 2 ⁢GaO 5 , including broad low-energy magnetic excitations and the absence of magnetic ordering down to 0.3 K.

Crystal field excitations↗
DOE OSTI2021

Unexpected Scaling of Peak Acceleration for a Yielding Mass-Spring System Subjected to a Triangular Base Acceleration Pulse

The use of bounding scenarios is a common practice that greatly simplifies the design and qualification of structures. However, this approach implicitly assumes that the quantities of interest increase monotonically with the input to the structure, which is not necessarily true for nonlinear structures. This paper surveys the literature for observations of nonmonotonic behavior of nonlinear systems and finds such observations in both the earthquake engineering and applied mechanics literature. Numerical simulations of a single degree-of-freedom mass-spring system with an elastic–plastic spring subjected to a triangular base acceleration pulse are then presented, and it is shown that the relative acceleration of this system scales nonmonotonically with the input magnitude in some cases. The equation of motion for this system is solved symbolically and an approximate expression for the relative acceleration is developed, which qualitatively agrees with the nonmonotonic behavior seen in the numerical results. The nonmonotonicity is investigated and found to be a result of dynamics excited by the discontinuous derivative of the base acceleration pulse, the magnitude of which scales nonmonotonically with the input magnitude due to the fact that the first yield of the spring occurs earlier as the input magnitude is increased. The relevance of this finding within the context of defining bounding scenarios is discussed, and it is recommended that modeling be used to perform a survey of the full range of possible inputs prior to defining bounding scenarios.

42 ENGINEERING↗
DOE OSTI2021

Fast and Scalable Sparse Triangular Solver for Multi-GPU Based HPC Architectures

Designing efficient and scalable sparse linear algebra kernels on modern multi-GPU based HPC systems is a daunting task due to significant irregular memory references and workload imbalance across the GPUs. This is particularly the case for \textit{Sparse Triangular Solver (SpTRSV)} which introduces additional two-dimensional computation dependencies among subsequent computation steps. Dependency information is exchanged and shared among GPUs, thus warrant for efficient memory allocation, data partitioning, and workload distribution as well as fine-grained communication and synchronization support. In this work, we demonstrate that directly adopting unified memory can adversely affect the performance of SpTRSV on multi-GPU architectures, despite linking via fast interconnect like NVLinks and NVSwitches. Alternatively, we employ the latest NVSHMEM technology based on Partitioned Global Address Space programming model to enable efficient fine-grained communication and drastic synchronization overhead reduction. Furthermore, to handle workload imbalance, we propose a malleable task-pool execution model which can further enhance the utilization of GPUs. By applying these techniques, our experiments on the NVIDIA multi-GPU supernode V100-DGX-1 and DGX-2 systems demonstrate that our design can achieve on average 3.53x (up to 9.86x) speedup on a DGX-1 system and 3.66x (up to 9.64x) speedup on a DGX-2 system with 4-GPUs over the Unified-Memory design. The comprehensive sensitivity and scalability studies also show that the proposed zero-copy SpTRSV is able to fully utilize the computing and communication resources of the multi-GPU system.

Xie, Chenhao↗
DOE OSTI2023

Unified Communication Optimization Strategies for Sparse Triangular Solver on CPU and GPU Clusters

This paper presents a unified communication optimization framework for sparse triangular solve (SpTRSV) algorithms on CPU and GPU clusters. The framework builds upon a 3D communication-avoiding (CA) layout of Px × Py × Pz processes that divides a sparse matrix into Pz submatrices, each handled by a Px × Py 2D grid with block-cyclic distribution. We propose three communication optimization strategies: First, a new 3D SpTRSV algorithm is developed, which trades the inter-grid communication and synchronization with replicated computation. This design requires only one inter-grid synchronization, and the inter-grid communication is efficiently implemented with sparse allreduce operations. Second, broadcast and reduction communication trees are used to reduce message latency of the intra-grid 2D communication on CPU clusters. Finally, we leverage GPU-initiated one-sided communication to implement the communication trees on GPU clusters. With these nested inter- and intra-grid communication optimization strategies, the proposed 3D SpTRSV algorithm can attain up to 3.45x speedups compared to the baseline 3D SpTRSV algorithm using up to 2048 Cori Haswell CPU cores. In addition, the proposed GPU 3D SpTRSV algorithm can achieve up to 6.5x speedups compared to the proposed CPU 3D SpTRSV algorithm with Pz up to 64. Finally it is remarkable that the proposed GPU 3D SpTRSV can scale to 256 GPUs using the Perlmutter system while the existing 2D SpTRSV algorithm can only scale up to 4 GPUs.

Sao, Piyush↗
DOE OSTI2023

Skyrmion crystals in the triangular Kondo lattice model

We present a systematic study of the formation of skyrmion crystals in a triangular Kondo Lattice model for generic electron filling fractions. Our results indicate that the four-sublattice chiral antiferromagnetic ordering that was reported more than one decade ago can be understood as the dense limit of a sequence of skyrmion crystals whose lattice parameter is dictated by the Fermi wave-vector. This observation has important implications for the ongoing search of skyrmion crystals in metallic materials with localized magnetic moments.

Wang, Zhentao↗
DOE OSTI2020

Dimer description of the SU(4) antiferromagnet on the triangular lattice

In systems with many local degrees of freedom, high-symmetry points in the phase diagram can provide an important starting point for the investigation of their properties throughout the phase diagram. In systems with both spin and orbital (or valley) degrees of freedom such a starting point gives rise to SU(4)-symmetric models. Here we consider SU(4)-symmetric "spin" models, corresponding to Mott phases at half-filling, i.e. the six-dimensional representation of SU(4). This may be relevant to twisted multilayer graphene. In particular, we study the SU(4) antiferromagnetic "Heisenberg" model on the triangular lattice, both in the classical limit and in the quantum regime. Carrying out a numerical study using the density matrix renormalization group (DMRG), we argue that the ground state is non-magnetic. We then derive a dimer expansion of the SU(4) spin model. An exact diagonalization (ED) study of the effective dimer model suggests that the ground state breaks translation invariance, forming a valence bond solid (VBS) with a 12-site unit cell. Finally, we consider the effect of SU(4)-symmetry breaking interactions due to Hund's coupling, and argue for a possible phase transition between a VBS and a magnetically ordered state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Magnetic Diffuse Scattering of YBaCo 4 O 7 and LuBaCo 4 O 7 on Kagome and Triangular Lattices

In this work, the magnetic diffuse scattering of YBaCo 4 O 7 and LuBaCo 4 O 7 with alternating kagome and triangular lattices has been studied through neutron scattering measurements on single-crystal samples. In YBaCo 4 O 7 , the line-shape-magnetic-diffuse scattering is observed around the magnetic transition temperature, which is consistent with the Monte Carlo simulation. In LuBaCo 4 O 7 , the line-shape-magnetic-diffuse scattering has not been detected. At low temperature, the propagation vectors of the observed magnetic reflections are different between YBaCo 4 O 7 and LuBaCo 4 O 7 . The structural distortion in RBaCo 4 O 7 is suggested to play a critical role for the magnetic properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗