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DOE OSTI2025

Ferromagnetic moment in the magnetoelectric antiferromagnet Co 4 ⁢Ta 2 ⁢O 9 : Evidence of the 𝑃⁢1 magnetic space group

Exploring ferromagnetic moments in magnetoelectric materials is of both fundamental and technological importance. It enables the control of the correlated state using an uncompensated moment. However, its material realization is challenging owing to its exclusive microscopic mechanisms. Here, we report a nearly isotropic ferromagnetic moment in the magnetoelectric antiferromagnet Co 4 ⁢Ta 2 ⁢O 9 , by performing dc and ac magnetic susceptibility, magnetization, and neutron diffraction measurements on identical single crystals. Combined with the group theory analysis, we demonstrate a 𝑃⁢1 magnetic space group. This implies that physical activities can occur along any crystallographic direction, which explains the unusual magnetoelectric property of Co 4⁢ Ta 2⁢ O 9 . The ground state is classified as the M-type altermagnet based on the magnetic point group. Our study provides essential information to resolve the debate on the magnetic ground state and understand the magnetoelectric properties of the related compound with the prospect of observing and examining the 𝑃⁢1 magnetic space group or ferromagnet in ferroelectrics.

Antiferromagnets↗

DOE OSTI2025

Nuclear Schiff Moments and CP Violation

This article reviews the calculation of nuclear Schiff moments, which one must know in order to interpret experiments that search for time-reversal-violating electric dipole moments in certain atoms and molecules. After briefly reviewing the connection between dipole moments and CP violation in and beyond the Standard Model of particle physics; Schiff's theorem, which concerns the screening of nuclear electric dipole moments by electrons; Schiff moments; and experiments to measure dipole moments in atoms and molecules, this review examines attempts to compute Schiff moments in nuclei such as 199 Hg and octupole-deformed isotopes such as 225 Ra, which are particularly useful in experiments. It then turns to ab initio nuclear-structure theory, describing ways in which both the in-medium similarity renormalization group and coupled-cluster theory can be used to compute important Schiff moments more accurately than the less controlled methods that have been applied so far.

CP violation↗

DOE OSTI2024

A Regional Phase Amplitude Model of 2-D Attenuation for North America

We analyzed seismic attenuation patterns across the North America using over 70,000,000 Lg wave amplitudes recorded by the various networks at frequencies of 0.1-32 Hz. Our inversion solved for laterally varying attenuation, site terms, moments, and apparent stress following Phillips et al., (2016). The inversion was anchored by independently constrained: corner frequencies (via coda spectral ratios) to control the attenuation-stress tradeoff and moment measurements of teleseismic (GCMT, USGS) and regional (St. Louis University and UC Berkeley) earthquakes to provided absolute scaling. The quality factor (Q) shows clear regional patterns: low values in coastal, volcanic, and tectonically active regions, and high values in stable areas like the Great Plains and major plateaus throughout North America. These 2-D Q models enable improved regional source characterization, magnitude estimation, and yield determination.

58 GEOSCIENCES↗

DOE OSTI2020

Distributed Aerodynamic Control using Active Trailing-Edge Flaps for Large Wind Turbines

This work presents a numerical framework to investigate distributed aerodynamic control devices for application in large wind turbines. Tool capabilities were extended to facilitate multiple aerodynamic polar tables. The airfoil aerodynamics characteristics were automatically determined, and blade-pitch, generator-torque, and trailing-edge-flap controllers were tuned in-the-loop according to a specific blade design. This automated workflow allows analysis and optimization of trailing-edge flaps, enabling codesign studies. Results targeted reductions of root-flap-bending moment derivatives. The applied trailing-edge-flap control reduced the standard deviation of root-flap-bending moments by more than 6% and benefit related parameters, e.g., reduce blade-tip deflections, by up to 8%. Because of varying thrust distributions along the blade span, different flap designs have nonlinear characteristics in terms of the control objective and show best performance when located at the radial position with maximum thrust. In general, larger flaps provide a greater influence to reduce the target control objective.

17 WIND ENERGY↗

DOE OSTI2022

Rapid Generation of a Macroscopic Schrödinger Cat State of Atoms with Parity-Independent Orientation

We show that using the process of one-axis-twist squeezing in an echo configuration, it is possible to control the orientation of the macroscopic magnetic moment of a large number of atoms by manipulating the quantum state of a single atom that is physically isolated from the ensemble. With this control technique, it is also possible to entangle an ensemble with a single atom deterministically, which mimics the thought experiment known as the Schrödinger cat. In addition, this technique would make it possible to generate a mesoscopic Schrödinger cat state for a large number of atoms far more rapidly that the conventional process for generating such a state, with an orientation that is independent of the parity of the number of atoms. Apart from the echo configuration, we have also investigated the behavior of one-axis-twist squeezing for some special values of the squeezing parameter. We find that the squeezing propagator can be expressed as the sum of n rotation operators if the product of n and the squeezing parameter equals pi, where n is a non-zero integer. A direct consequence of this property of one-axis-twist squeezing is that there is a hidden order in a squeezed state generated under this condition even if its Husimi quasi-probability distribution looks irregular.

Li, Jinyang↗

DOE OSTI2025

Solvation directed morphological control in metal oxide nanostructures

The development of structural hierarchy on various length scales during the crystallization process is ubiquitous in biological systems and minerals and is common in synthetic nanomaterials. The driving forces for the formation of complex architectures range from local interfacial interactions, that modify interfacial speciation, local supersaturation, and nucleation barriers, to macroscopic interparticle forces. Although it is enticing to interpret the formation of hierarchical architectures as the assembly of independently nucleated building blocks, crystallization pathways often follow monomer-by-monomer addition with structural complexity arising from interfacial chemical coupling and strongly correlated fluctuation dynamics in the electric double layers. Here, we show that the development of structural hierarchy through heterogeneous nucleation is driven by dipolar and solvation forces. Specifically, coupled simulations and experimental studies revealed that dipole build-up along the slow growth direction can trigger twinning and the development of branched architectures. Enthalpic solvation interactions were shown to either enhance or reduce the dipole moment of the nanoparticles and, thereby, control crystal morphology and architecture. The systematic studies of chemical coupling between different solvents and undercoordinated surface atoms of the growing nanocrystals revealed the mechanism of dimensionality control and the development of structural hierarchy without ligands or structure-directing agents.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

An immersed interface method for the 2D vorticity-velocity Navier-Stokes equations with multiple bodies

We present an immersed interface method for the vorticity-velocity form of the 2D Navier Stokes equations that directly addresses challenges posed by nonconvex immersed bodies, multiply connected domains, and the calculation of force distributions on immersed surfaces. The immersed interface method is re-interpreted as a polynomial extrapolation of flow quantities and boundary conditions into the immersed solid bodies, reducing computational cost and enabling simulations with nonconvex bodies that could not be discretized with previous immersed interface methods. In the flow, the vorticity transport equation is discretized using a conservative finite difference scheme and explicit Runge-Kutta time integration. The velocity reconstruction problem is transformed to a scalar Poisson equation that is discretized with conservative finite differences, and solved using an FFT-accelerated iterative algorithm. The use of conservative differencing throughout leads to exact enforcement of a discrete Kelvin's theorem, allowing for simulations with multiply connected domains and outflow boundaries that have challenged other immersed interface vortex methods. We also explore novel methods for recovering time-dependent pressure distributions on immersed bodies within a vorticity-based method and present a novel control volume formulation for recovering aerodynamic moments from only the vorticity and velocity fields. The method achieves second order spatial accuracy and third order temporal accuracy, and is validated on a variety of 2D flows in internal and free-space domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Tuning the magnetic properties of the CrMnFeCoNi Cantor alloy

Magnetic properties of more than 20 Cantor alloy samples of varying composition were investigated over a temperature range of 5 K to 300 K and in fields of up to 70 kOe using magnetometry and muon spin relaxation. Two transitions are identified: a spin-glass-like transition that appears between 55K and 190K, depending on composition, and a ferrimagnetic transition that occurs at approximately 43K in multiple samples with widely varying compositions. The magnetic signatures at 43K are remarkably insensitive to chemical composition. A modified Curie-Weiss model was used to fit the susceptibility data and to extract the net effective magnetic moment for each sample. The resulting values for the net effective moment were either diminished with increasing Cr or Mn concentrations or enhanced with decreasing Fe, Co, or Ni concentrations. Beyond a sufficiently large effective moment, the magnetic ground state transitions from ferrimagnetism to ferromagnetism. The effective magnetic moments, together with the corresponding compositions, are used in a global linear regression analysis to extract element-specific effective magnetic moments, which are compared to the values obtained by ab initio based density functional theory calculations. Finally, these moments provide the information necessary to controllably tune the magnetic properties of Cantor alloy variants.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Data Processing Package for Cyclic Integrated Reversible Bending Fatigue Testing

A data processing software package has been introduced. The package was developed using MATLAB with the aid of the Curve Fitting Toolbox. The package is made up of four modules: pre-processing, data processing for static testing, data processing for monitoring, and data processing for measurements. CIRFT data are structured with multiple levels of architecture involving group, specimen, session, and scan/block. The degree of complexity of the data structure depends on whether a test is static or cyclic.The test results are presented in figures, scatter plots, and tables. For static testing, the output in tables provides bending mechanical properties and characteristic points of moment–curvature relation: flexural rigidities in linear segments of loading and unloading stages, intersection points between characteristic segments of the curve, and equivalent stress and strain quantities. For cyclic testing, the table output lists control and fatigue life and responsive/dependent quantities including moment, curvature, flexural rigidity, flexural hysteresis, rigidity phase angle, and equivalent stresses and strains. In addition, derivatives such as half-gage length and sensor spacing correction are included. The output also provides standard deviations of the reported quantities when they are applicable or available. The data processing package can serve as a fundamental characterization tool in mechanical study of materials. The package is intended primarily for data processing for the CIRFT process and can also be used in applications for which similar testing requirements exist.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Large moments in BCC FExCOyMNz and other alloy thin films

Large magnetic moment compositions are formed by stabilizing ternary or other alloys with a epitaxial control layer. Compositions that are unstable in bulk specimen are thus stabilized and exhibit magnetic moments that are greater that a Slater-Pauling limit. In one example, FexCoyMnz layers are produced on an MgO(001) substrate with an MgO surface serving to control the structure of the FexCoyMnz layers. Magnetizations greater than 3 Bohr magnetons are produced.

Snow, Ryan L.↗

DOE OSTI2021

Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions

Multipole moments such as charge, dipole, and quadrupole are often invoked to rationalize intermolecular phenomena, but a low-order multipole expansion is rarely a valid description of electrostatics at the length scales that characterize nonbonded interactions. This is illustrated by examining several common misunderstandings rooted in erroneous electrostatic arguments. First, the notion that steric repulsion originates in Coulomb interactions is easily disproved by dissecting the interaction potential for Ar2. Second, the Hunter-Sanders model of π–π interactions, which is based on quadrupolar electrostatics, is shown to have no basis in accurate calculations. Third, curved “buckybowls” exhibit unusually large dipole moments, but these are ancillary to the forces that control their intermolecular interactions, as illustrated by two examples involving corannulene. Finally, the assumption that interactions between water and small anions are dictated by the dipole moment of H 2 O is shown to be false in the case of binary halide–water complexes. Furthermore, these examples present a compelling case that electrostatic explanations based on low-order multipole moments are very often counterfactual for nonbonded interactions at close range and should not be taken seriously in the absence of additional justification.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Stoichiometry–Induced Ferromagnetism in Altermagnetic Candidate MnTe

The field of spintronics has seen a surge of interest in altermagnetism due to novel predictions and many possible applications. MnTe is a leading altermagnetic candidate that is of significant interest across spintronics due to its layered antiferromagnetic structure, high Neel temperature (T N ≈ 310 K) and semiconducting properties. The results on molecular beam epitaxy (MBE) grown MnTe/InP(111) films are presented. Here, it is found that the electronic and magnetic properties are driven by the natural stoichiometry of MnTe. Electronic transport and in situ angle-resolved photoemission spectroscopy show the films are natively metallic with the Fermi level in the valence band and the band structure is in good agreement with first-principles calculations for altermagnetic spin-splitting. Neutron diffraction confirms that the film is antiferromagnetic with planar anisotropy and polarized neutron reflectometry indicates weak ferromagnetism, which is linked to a slight Mn-richness that is intrinsic to the MBE-grown samples. Further, when combined with the anomalous Hall effect, this work shows that the electronic response is strongly affected by the ferromagnetic moment. Altogether, this highlights potential mechanisms for controlling altermagnetic ordering for diverse spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Light-induced electronic polarization in antiferromagnetic Cr 2 O 3

In a solid, the electronic subsystem can exhibit incipient order with lower point group symmetry than the crystal lattice. Ultrafast external fields that couple exclusively to electronic order parameters have rarely been investigated, however, despite their potential importance in inducing exotic effects. Here we show that when inversion symmetry is broken by the antiferromagnetic order in Cr 2 O 3 , transmitting a linearly polarized light pulse through the crystal gives rise to an in-plane rotational symmetry-breaking (from C 3 to C 1 ) via optical rectification. Using interferometric time-resolved second harmonic generation, we show that the ultrafast timescale of the symmetry reduction is indicative of a purely electronic response; the underlying spin and crystal structures remain unaffected. The symmetry-broken state exhibits a dipole moment, and its polar axis can be controlled with the incident light. Furthermore, our results establish a coherent nonlinear optical protocol by which to break electronic symmetries and produce unconventional electronic effects in solids.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Imaging systems and related methods including radar imaging with moving arrays or moving targets

Imaging systems, including radio frequency, microwave and millimeter-wave arrangements, and related methods are described. According to one aspect, an imaging system includes an antenna array, a position capture system configured to generate position information indicative of locations of one of the antenna array and the target at the first and second moments in time, and wherein the one of the antenna array and the target move between the first and second moments in time, a transceiver configured to control the antenna array to emit electromagnetic energy towards the target and to generate an output that is indicative of the received electromagnetic energy, a data acquisition system configured to generate radar data, processing circuitry configured to process the position information and the radar data to generate image data regarding the target, and an interface configured to use the image data to generate visual images regarding the target.

Sheen, David M.↗

DOE OSTI2024

Imaging systems and related methods including radar imaging with moving arrays or moving targets

Sheen, David M.↗

DOE OSTI2021

Thermal energy storage apparatus, controllers and thermal energy storage control methods

Thermal energy storage apparatus, controllers and thermal energy storage control methods are described. According to one aspect, a thermal energy storage apparatus controller includes processing circuitry configured to access first information which is indicative of surpluses and deficiencies of electrical energy upon an electrical power system at a plurality of moments in time, access second information which is indicative of temperature of a thermal energy storage medium at a plurality of moments in time, and use the first and second information to control an amount of electrical energy which is utilized by a heating element to heat the thermal energy storage medium at a plurality of moments in time.

Hammerstrom, Donald J.↗

DOE OSTI2022

Building Load Control Using Distributionally Robust Chance-Constrained Programs with Right-Hand Side Uncertainty and the Risk-Adjustable Variants

Aggregation of heating, ventilation, and air conditioning (HVAC) loads can provide reserves to absorb volatile renewable energy, especially solar photo-voltaic (PV) generation. In this paper, we decide HVAC control schedules under uncertain PV generation, using a distributionally robust chance-constrained (DRCC) building load control model under two typical ambiguity sets: the moment-based and Wasserstein ambiguity sets. We derive mixed integer linear programming (MILP) reformulations for DRCC problems under both sets. Especially, for the Wasserstein ambiguity set, we use the right-hand side (RHS) uncertainty to derive a more compact MILP reformulation than the commonly known MILP reformulations with big-M constants. All the results also apply to general individual chance constraints with RHS uncertainty. Furthermore, we propose an adjustable chance-constrained variant to achieve tradeoff between the operational risk and costs. We derive MILP reformulations under the Wasserstein ambiguity set and second-order conic programming (SOCP) reformulations under the moment-based set. Using real-world data, we conduct computational studies to demonstrate the efficiency of the solution approaches and the effectiveness of the solutions. Summary of Contribution: The problem studied in this paper is motivated by a building load control problem that uses the aggregation of heating, ventilation, and air conditioning (HVAC) loads as flexible reserves to absorb uncertain solar photovoltaic (PV) generation. The problem is formulated as distributionally robust chance-constrained (DRCC) programs with right-hand side (RHS) uncertainty. In addition, we propose a risk-adjustable variant of the DRCC programs, where the risk level, instead of being predetermined, is treated as a decision variable. The paper aims to provide tractable reformulations and solution algorithms for both the (general) DRCC and the (general) adjustable DRCC models with RHS uncertainty.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Benchmarking the Use of BPM Quadrupole Moments to Measure Emittance

For the PIP-II program, transverse emittance in the Fermilab Booster must remain well controlled at higher bunch intensities. 4-plate beam position monitors (BPMs) have a small but measurable quadrupole moment, making it possible to infer transverse emittance. By compositing many BPMs together, it becomes possible to improve the quality of the quadrupole signal. The Fermilab Booster BPM system has been used to measure these quadrupole moments in the past year and derive emittances from them. Recent benchmarks show that the derived BPM emittances show similar emittance evolution and value to IPM and Multiwire data. This approach can both supplement and complement existing non-intercepting emittance monitors in accelerators.

Balcewicz, M. A. [Fermilab]↗