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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Low-energy processes of meson production in the extended Nambu–Jona-Lasinio model

The processes of meson production in electron–positron collisions at low energies are characterized within the extended Nambu–Jona-Lasinio model. It is demonstrated that intermediate vector mesons (both in the ground state and in the first radially excited one) play a critical part in these processes. The obtained results are in reasonable agreement with the available experimental data. A number of theoretical predictions are made, which can be tested experimentally in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Masses of ground-state mesons and baryons, including those with heavy quarks

Using a confining, symmetry-preserving regularization of a vector x vector contact interaction, we compute the spectra of ground-state pseudoscalar and vector of ($f$$\bar{g}$) mesons, scalar and axial-vector ($fg$) diquarks, and $J^{P}$ = 1/2(+), 3/2(+) ($fgh$) baryons, where $f, g, h$ is an element of {$u, d, s, c, b$}. The diquark correlations are essentially dynamical and play a key role in formulating and solving the three-valence-quark baryon problems. The baryon spectrum obtained from this largely algebraic approach reproduces the 22 known experimental masses with an accuracy of 2.9(2.4)%. It also possesses the richness of states typical of constituent-quark models, predicting many heavy-quark baryons not yet observed. This study indicates that diquark correlations are an important component of all baryons; and owing to the dynamical character of the diquarks, it is typically the lightest allowed diquark correlation that defines the most important component of a baryon's Faddeev amplitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

In-plane multi-q magnetic ground state of Na 3 Co 2 SbO 6

We report Na 3 Co 2 SbO 6 is a potential Kitaev magnet with a monoclinic layered crystal structure. Recent investigations of the C3-symmetric sister compound Na 2 Co 2 TeO 6 have uncovered a unique triple-q magnetic ground state, as opposed to a single-q (zigzag) one, prompting us to examine the influence of the reduced structural symmetry of Na 3 Co 2 SbO 6 on its ground state. Neutron diffraction data obtained on a twin-free crystal reveal that the ground state remains a multi-q state, despite the system's strong non-C 3 -symmetric anisotropy. This robustness of multi-q orders suggests that they are driven by a common mechanism in the honeycomb cobaltates, such as interactions beyond the bilinear order. Spin-polarized neutron diffraction results show that the ordered moments are entirely in plane, with each staggered component orthogonal to the propagating wave vector. The inferred ground state appears more compatible with the so-called XXZ easy-plane anisotropy than the Kitaev anisotropy, and features unequal ordered moments reduced by strong quantum fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

On the optimal minimum order observer-based compensator and the limited state variable feedback controller

Four design problems are considered: two on the optimal minimum order observer-based compensator design and two on the optimal limited state variable feedback controller. The problem of designing an optimal discrete time linear time-invariant observer-based compensator for the regulation of an n dimensional linear discrete time time-invariant plant with m independent outputs is considered. This is a stochastic design problem to the extent that the initial plant state is assumed to be a random vector with known first and second order statistics. The compensator parameters are obtained by minimizing the expectation, with respect to the initial conditions, of the standard cost, quadratic in the state and control vectors with the inclusion of cross terms.

Llorens-Ortiz, B.↗
NASA NTRS2006

A Compact 600 GHz Electronically Tunable Vector Measurement System for Submillimeter Wave Imaging

The design of a complete vector measurement system being tested over 560-635 GHz is presented. The topics include: 1) Current State-of-the-Art in Vector Measurements; 2) Submillimeter Active Imaging Requirements; 3) 600 GHz Vector Measurement System; 4) 450 MHz IF Signal; 5) 450 MHz IF signal @ 1 kHz Res. BW; 6) 450 MHz IF Signal Mixed with Shifted 450 MHz Reference Signal; 7) Reference Signal Offset Generator; 8) Cavity Bandpass Filter; 9) Miniature Multistage Helical Filter; 10) X36 450 MHz Multiplier; 11) 600 GHz Test Setup; 12) 600 GHz Transmit Module; 13) 600 GHz Receive Module; 14) Performance Tests: Amplitude Stability & Dynamic Range; 15) Performance Tests: Phase Stability; 16) Stability at Imaging Bandwidths; 17) Phase Measurement Verification; and 18) The Next Step: Imaging.

phase measurements↗
DOE OSTI2019

System and method for electric load identification and classification employing support vector machine

A method identifies electric load types of a plurality of different electric loads. The method includes providing a support vector machine load feature database of a plurality of different electric load types; sensing a voltage signal and a current signal for each of the different electric loads; determining a load feature vector including at least six steady-state features with a processor from the sensed voltage signal and the sensed current signal; and identifying one of the different electric load types by relating the load feature vector including the at least six steady-state features to the support vector machine load feature database.

Lu, Bin↗
DOE OSTI2021

Nonadiabatic couplings from a variational excited state method based on constrained DFT

Excited Costrained Density Functional Theory (XCDFT) is a variational excited state method that extends ground state DFT to the computation of low-lying excited states. It borrows much of the machinery of Constrained DFT (CDFT) with a crucial difference: the constraint imposes a population of one electron in the Hilbert space spanned by the virtuals of a reference ground state. Here, we present theory and implementation for evaluating nonadiabatic coupling vectors (NACVs) between the first excited state computed with XCDFT and the ground state. Our NACVs are computed analytically using density functional perturbation theory with a formalism that is general enough that could be applied to CDFT diabatic states. We showcase the new method with pilot NACV calculations for the conical intersection in H 3 , the avoided crossing in selenoacrolein, and the NACV magnitudes in azobenzene. Despite complications from the nonorthogonality of the wavefunctions, XCDFT’s energy surfaces and NACVs reproduce benchmark values and respect known sum rules within a reasonable degree. This shows that XCDFT is a viable method for nonadiabatic dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Collinear antiferromagnetic order in a quasi-two-dimensional triangular lattice compound DyNiAl 4 Ge 2

The two-dimensional magnetic triangular lattice, with rare-earth local moments coupled through long-range interactions and hosting strong spin-orbit coupling, serves as an ideal platform for exploring novel quantum phenomena. Here, we report the physical properties of DyNiAl 4 Ge 2 single crystals through comprehensive structural, magnetic, heat capacity, electrical transport, and neutron powder diffraction measurements. DyNiAl 4 Ge 2 crystallizes in a trigonal lattice with the space group $R\bar{3}m$, where Dy atoms form two-dimensional triangular lattice layers within the 𝑎𝑏 plane and stack along the 𝑐 axis. Magnetic susceptibility measurement reveals a magnetic phase transition at 𝑇 𝑁 = 9.0 K, further confirmed by the 𝜆-shaped peak in the heat capacity curve. The obtained temperature-magnetic field phase diagram is relatively simple compared to other isostructural compounds, suggesting the absence of magnetic frustration. This is further evidenced by neutron powder diffraction, which shows a collinear antiferromagnetic ground state with a propagation vector 𝒌 = (0, 0, 1.5), implying the absence of magnetic frustration in DyNiAl 4 Ge 2 . In this magnetic structure, Dy moments are aligned ferromagnetically within each triangular layer and arranged antiferromagnetically between adjacent layers along the 𝑐 axis. In conclusion, our results establish DyNiAl 4 Ge 2 as a model system for understanding the interplay between RKKY interaction and geometrical frustration in this family of compounds.

Wu, HengHeng [Chinese Academy of Sciences (CAS), S↗
DOE OSTI2020

The quantum entropy cone of hypergraphs

In this work, we generalize the graph-theoretic techniques used for the holographic entropy cone to study hypergraphs and their analogously-defined entropy cone. This allows us to develop a framework to efficiently compute entropies and prove inequalities satisfied by hypergraphs. In doing so, we discover a class of quantum entropy vectors which reach beyond those of holographic states and obey constraints intimately related to the ones obeyed by stabilizer states and linear ranks. We show that, at least up to 4 parties, the hypergraph cone is identical to the stabilizer entropy cone, thus demonstrating that the hypergraph framework is broadly applicable to the study of entanglement entropy. We conjecture that this equality continues to hold for higher party numbers and report on partial progress on this direction. To physically motivate this conjectured equivalence, we also propose a plausible method inspired by tensor networks to construct a quantum state from a given hypergraph such that their entropy vectors match.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

Closed-form integrator for the quaternion (euler angle) kinematics equations

The invention is embodied in a method of integrating kinematics equations for updating a set of vehicle attitude angles of a vehicle using 3-dimensional angular velocities of the vehicle, which includes computing an integrating factor matrix from quantities corresponding to the 3-dimensional angular velocities, computing a total integrated angular rate from the quantities corresponding to a 3-dimensional angular velocities, computing a state transition matrix as a sum of (a) a first complementary function of the total integrated angular rate and (b) the integrating factor matrix multiplied by a second complementary function of the total integrated angular rate, and updating the set of vehicle attitude angles using the state transition matrix. Preferably, the method further includes computing a quanternion vector from the quantities corresponding to the 3-dimensional angular velocities, in which case the updating of the set of vehicle attitude angles using the state transition matrix is carried out by (a) updating the quanternion vector by multiplying the quanternion vector by the state transition matrix to produce an updated quanternion vector and (b) computing an updated set of vehicle attitude angles from the updated quanternion vector. The first and second trigonometric functions are complementary, such as a sine and a cosine. The quantities corresponding to the 3-dimensional angular velocities include respective averages of the 3-dimensional angular velocities over plural time frames. The updating of the quanternion vector preserves the norm of the vector, whereby the updated set of vehicle attitude angles are virtually error-free.

Whitmore, Stephen A.↗
DOE OSTI2024

Search for new particles in events with a hadronically decaying W or Z boson and large missing transverse momentum at $\sqrt{s}$ = 13 TeV using the ATLAS detector

A search is presented for new particles produced in proton-proton collisions at a centre-of-mass energy of 13 TeV that result in final states comprising a massive vector ( W or Z ) boson that decays hadronically and large missing transverse momentum. The data sample was collected with the ATLAS experiment at the Large Hadron Collider from 2015 to 2018 and corresponds to an integrated luminosity of 140 fb - 1 . No significant excess over the Standard Model expectation is observed. Model-independent 95% confidence-level limits on the visible cross-section that range from 0.3 fb to 79.5 fb are obtained for non-Standard-Model processes. Exclusion limits are also presented for models with axion-like particles, for two-Higgs-doublet models with a pseudo-scalar mediator between the Standard Model and the dark sector, for the invisible decay of the Higgs boson and for pair-produced weakly interacting dark matter candidates.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

The magnetic order in multiferroic DyMnO 3

We report that with flexibility in tuning their electric and magnetic properties, multiferroics can be used in information exchange and storage in ways that are very different from the present electronic materials. Here we use resonant soft X-ray scattering spectroscopy to study the F-type (0,τ,0) and C-type (0, 1–2τ, 0) diffraction peaks from sinusoidal antiferromagnetic spin order in multiferroic DyMnO 3 . By comparing the temperature dependence of ordering wave vectors τ, peak intensities I, and correlation lengths λ measured at Mn L 2 - , O K-, and Dy M 5 -edges, we show that the nearly perfect locking between the ordering wave vectors from Dy 4f states and Mn 3d orbitals manifesting the second harmonic diffraction peak implies the notable orbital involvement in the coupling between Mn and Dy spins. Our DFT calculations further suggest that the lattice response to different antiferromagnetic ground states (A-type versus E-type) is much weaker in TbMnO 3 , in agreement with previous claim that the symmetric exchange interaction can be an important factor for understanding the ferroelectricity in DyMnO 3 than in TbMnO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Explainable machine learning of the underlying physics of high-energy particle collisions

We present an implementation of an explainable and physics-aware machine learning model capable of inferring the underlying physics of high-energy particle collisions using the information encoded in the energy-momentum four-vectors of the final state particles. We demonstrate the proof-of-concept of our White Box AI approach using a Generative Adversarial Network (GAN) which learns from a DGLAP-based parton shower Monte Carlo event generator. The constrained generator network architecture mimics the structure of a parton shower exhibiting similarities with Recurrent Neural Networks (RNNs). We show, for the first time, that our approach leads to a network that is able to learn not only the final distribution of particles, but also the underlying parton branching mechanism, i.e. the Altarelli-Parisi splitting function, the ordering variable of the shower, and the scaling behavior. While the current work is focused on perturbative physics of the parton shower, we foresee a broad range of applications of our framework to areas that are currently difficult to address from first principles in QCD. Examples include nonperturbative and collective effects, factorization breaking and the modification of the parton shower in heavy-ion, and electron-nucleus collisions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

MnEdgeNet for accurate decomposition of mixed oxidation states for Mn XAS and EELS L2,3 edges without reference and calibration

Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer and redox centers for electronic, and electrocatalytic and energy storage materials that contain Mn. Electron energy loss spectroscopy (EELS) and soft X-ray absorption spectroscopy (XAS) measurements of the Mn L2,3 edges are widely used for this purpose. To date, although the measurements of the Mn L2,3 edges are straightforward given the sample is prepared properly, an accurate decomposition of the mix valence states of Mn remains non-trivial. For both EELS and XAS, 2+, 3+, and 4+ reference spectra need to be taken on the same instrument/beamline and preferably in the same experimental session because the instrumental resolution and the energy axis offset could vary from one session to another. To circumvent this hurdle, in this study, we adopted a deep learning approach and developed a calibration-free and reference-free method to decompose the oxidation state of Mn L2,3 edges for both EELS and XAS. A deep learning regression model is trained to accurately predict the composition of the mix valence state of Mn. To synthesize physics-informed and ground-truth labeled training datasets, we created a forward model that takes into account plural scattering, instrumentation broadening, noise, and energy axis offset. With that, we created a 1.2 million-spectrum database with 1-by-3 oxidation state composition ground truth vectors. The library includes a sufficient variety of data including both EELS and XAS spectra. By training on this large database, our convolutional neural network achieves 85% accuracy on the validation dataset. We tested the model and found it is robust against noise (down to PSNR of 10) and plural scattering (up to t/λ = 1). We further validated the model against spectral data that were not used in training. In particular, the model shows high accuracy and high sensitivity for the decomposition of Mn 3 O 4 , MnO, Mn 2 O 3 , and MnO 2 . The accurate decomposition of Mn 3 O 4 experimental data shows the model is quantitatively correct and can be deployed for real experimental data. Our model will not only be a valuable tool to researchers and material scientists but also can assist experienced electron microscopists and synchrotron scientists in the automated analysis of Mn L edge data.

25 ENERGY STORAGE↗
DOE OSTI2016

Spin configurations on a decorated square lattice

Spin configurations on a decorated square lattice are investigated using Bertaut’s microscopic method. We have obtained collinear and non-collinear (canted) modes for the given wave vectors in the ground state. We have found ferromagnetic and antiferromagnetic commensurate spin configurations. We have found canted incommensurate spin configurations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods

In this work, we introduce a diagrammatic approach to facilitate the automatic derivation of analytical nuclear gradients for tensor hyper-contraction (THC) based electronic structure methods. The automatically derived gradients are guaranteed to have the same scaling in terms of both operation count and memory footprint as the underlying energy calculations, and the computation of a gradient is roughly three times as costly as the underlying energy. The new diagrammatic approach enables the first cubic scaling implementation of nuclear derivatives for THC tensors fitted in molecular orbital basis (MO-THC). Furthermore, application of this new approach to THC-MP2 analytical gradients leads to an implementation, which is at least four times faster than the previously reported, manually derived implementation. Finally, we apply the new approach to the 14 tensor contraction patterns appearing in the supporting subspace formulation of multireference perturbation theory, laying the foundation for developments of analytical nuclear gradients and nonadiabatic coupling vectors for multi-state CASPT2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

What is the optimal way to prepare a Bell state using measurement and feedback?

Recent work has shown that the use of quantum feedback can significantly enhance both the speed and success rate of measurement-based remote entanglement generation, but it is generally unknown what feedback protocols are optimal for these tasks. In this work, we consider two common measurements that are capable of projecting into pairwise entangled states, namely half- and full-parity measurements of two qubits, and determine in each case a globally optimal protocol for generation of entanglement. For the half-parity measurement, we rederive a previously described protocol using more general methods and prove that it is globally optimal for several figures of merit, including maximal concurrence or fidelity and minimal time to reach a specified concurrence or fidelity. For the full-parity measurement, we derive a protocol for rapid entanglement generation related to that of (Hill, Ralph, Phys. Rev. A 77, 014305), and then map the dynamics of the concurrence of the state to the Bloch vector length of an effective qubit. This mapping allows us to prove several optimality results for feedback protocols with full-parity measurements. We further show that our full-parity protocol transfers entanglement optimally from one qubit to the other amongst all measurement-based schemes. The methods developed here will be useful for deriving feedback protocols and determining their optimality properties in many other quantum systems subject to measurement and unitary operations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Temporal network alignment via GoT-WAVE

Abstract Motivation Network alignment (NA) finds conserved regions between two networks. NA methods optimize node conservation (NC) and edge conservation. Dynamic graphlet degree vectors are a state-of-the-art dynamic NC measure, used within the fastest and most accurate NA method for temporal networks: DynaWAVE. Here, we use graphlet-orbit transitions (GoTs), a different graphlet-based measure of temporal node similarity, as a new dynamic NC measure within DynaWAVE, resulting in GoT-WAVE. Results On synthetic networks, GoT-WAVE improves DynaWAVE’s accuracy by 30% and speed by 64%. On real networks, when optimizing only dynamic NC, the methods are complementary. Furthermore, only GoT-WAVE supports directed edges. Hence, GoT-WAVE is a promising new temporal NA algorithm, which efficiently optimizes dynamic NC. We provide a user-friendly user interface and source code for GoT-WAVE. Availability and implementation http://www.dcc.fc.up.pt/got-wave/ Supplementary information Supplementary data are available at Bioinformatics online.

Aparício, David↗