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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bark morphological and chemical features are differentially correlated with disease resistance and yield in hybrid poplar taxa

In the southeastern United States, the establishment of short-rotation intensively cultured plantations of hybrid poplar has been hindered by its susceptibility to stem cankers. We evaluated the tradeoffs between biomass yield and disease tolerance in hybrid poplar genotypes belonging to P. deltoides × P. maximowiczii (DM), P. deltoides × P. nigra (DN), P. trichocarpa × P. maximowiczii (TM), and P. deltoides × P. deltoides (DD) taxa. We hypothesized that canker resistant genotypes will have thicker bark but bark thickness and biomass yield will be negatively correlated. After two growing seasons, the DD genotypes developed thicker bark compared to the genotypes of other taxa and bark thickness was not correlated with biomass yield in the DD genotypes (R 2 = 0.002). However, in the TM, DM, and DN genotypes, bark thickness was negatively correlated with biomass yield (R 2 = 0.33–0.77). Disease incidence studies revealed that the DM genotypes were most susceptible to canker whereas no disease was detected in DD genotypes. Furthermore, bark analysis conducted by Fourier transform infrared spectroscopy coupled with multivariate analysis showed that that DD genotypes to be chemically separate from the three hybrid genotypes and that bark chemistry was correlated with canker disease incidence. Taken together, these results reveal that it is possible to generate hybrid poplar genotypes with thicker bark, disease resistance, and higher biomass yields. This insight should guide further efforts to develop genetically improved hybrid poplar genotypes, both in terms of biomass yield and disease tolerance, for cultivation in the southeastern United States. Hybrid poplar cultivation in southeastern United States is hindered by its susceptibility to stem cankers. We evaluated tradeoffs between yield and canker disease resistance in various hybrid poplar genotypes. After two growing seasons, the DD genotypes showed disease resistance and developed thicker bark that was chemically distinct from the other genotypes. Bark thickness was not correlated with yield in the DD genotypes but was negatively correlated with yield in the other genotypes. These results will guide the development of hybrid poplar genotypes that are both disease resistant and high yielding for cultivation in the southeastern United States.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Correlated oxide Dirac semimetal in the extreme quantum limit

Quantum materials (QMs) with strong correlation and nontrivial topology are indispensable to next-generation information and computing technologies. Exploitation of topological band structure is an ideal starting point to realize correlated topological QMs. Here, we report that strain-induced symmetry modification in correlated oxide SrNbO 3 thin films creates an emerging topological band structure. Dirac electrons in strained SrNbO 3 films reveal ultrahigh mobility (μ max ≈ 100,000 cm 2 /Vs), exceptionally small effective mass (m* ~ 0.04m e ), and nonzero Berry phase. Strained SrNbO 3 films reach the extreme quantum limit, exhibiting a sign of fractional occupation of Landau levels and giant mass enhancement. Our results suggest that symmetry-modified SrNbO 3 is a rare example of correlated oxide Dirac semimetals, in which strong correlation of Dirac electrons leads to the realization of a novel correlated topological QM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MHD-blob correlations in NSTX

This paper describes a study of the cross-correlations between edge fluctuations as seen in the gas puff imaging (GPI) diagnostic and low frequency coherent magnetic fluctuations (MHD) in H-mode plasmas in NSTX. The main new result was that large blobs in the SOL were significantly correlated with MHD activity the 3-6 kHz range in 21 of the 223 shots examined. There were also many other shots in which fluctuations in the GPI signal level and its peak radius Rpeak were correlated with MHD activity, but without any significant correlation of the MHD with large blobs. The structure and motion of the MHD is compared with that of the correlated blobs, and some possible theoretical mechanisms for the MHD-blob correlation are discussed.

blobs↗
DOE OSTI2021

On the three-dimensional spatial correlations of curved dislocation systems

Abstract Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of re-capturing these interactions by means of the dislocation-dislocation correlation functions. The framework depends on a convolution length to define slip-system-specific dislocation densities. Following a statistical definition of this coarse-graining process, we define a spatial correlation function which will allow the arrangement of the discrete line system at two points—and thus the strength of their interactions at short range—to be recaptured into a mean field description of dislocation dynamics. Through a statistical homogeneity argument, we present a method of evaluating this correlation function from discrete dislocation dynamics simulations. Finally, results of this evaluation are shown in the form of the correlation of dislocation densities on the same slip-system. These correlation functions are seen to depend weakly on plastic strain, and in turn, the dislocation density, but are seen to depend strongly on the convolution length. Implications of these correlation functions in regard to continuum dislocation dynamics as well as future directions of investigation are also discussed.

Anderson, Joseph Pierre (ORCID:0000000329760903)↗
DOE OSTI2023

How Dynamic Time Warping Can Assist Conventional Cross-correlation

Waveform cross-correlation is a sensitive phase-matched filtering technique that can detect seismic events for nuclear explosion monitoring. However, there are outstanding challenges with correlation detectors, most notably a direct dependence on the completeness of the waveform template library. To ameliorate these challenges, we investigate how dynamic time warping (DTW) may make waveform correlation more robust. DTW analyzes the differences between two time series and attempts to “warp” one time series relative to another in a recursive manner. We apply DTW to synthetic earthquake and recorded explosion templates to expand the capability of correlation detectors. We explore what conditions (e.g., source, station distance, frequency bands) and/or DTW algorithms generate stronger correlation scores. We show that DTW performs well on noisy signals and can dramatically improve the cross-correlation coefficient between a template and data-stream waveform. We conclude with recommendations on how to utilize DTW in nuclear monitoring detection.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

The Intrinsic Scatter of the Broad Lines–Narrow Line Correlation in Type I AGN

A correlation between the FWHM of the broad Balmer lines and the narrow [O iii]/H{sub β} line ratio was recently applied to the black hole (BH) mass estimation in type II active galactic nuclei (AGN), where only the narrow lines are visible to the observer. The correlation was initially quantified with type I AGN using stacked spectra, in groups automatically created using a machine-learning algorithm. Such an analysis does not provide information about the intrinsic scatter of the correlation. In addition, it does not necessarily reproduce the true underlying correlation, for example, due to the stacking of spectra with different properties. Testing these two issues requires measurements of individual objects. In this work, we perform such a test by fitting the broad and narrow lines for 8302 type I AGN from the Sloan Digital Sky Survey. Due to the difficulty in reliably measuring the narrow Balmer lines in such objects, which are, in many cases, a small contribution on top of the broad lines, we visually inspect all of the fits and identify 1561 objects with robust measurements. Using these measurements, we find that while a correlation does exist, it shows a large scatter and is not well described by a linear relation. This should be taken into account when using the broad H{sub β} FWHM versus narrow [O iii]/H{sub β} correlation for type II AGN BH mass estimation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The Atacama Cosmology Telescope: Cosmology from Cross-correlations of unWISE Galaxies and ACT DR6 CMB Lensing

We present tomographic measurements of structure growth using cross-correlations of Atacama Cosmology Telescope (ACT) DR6 and Planck cosmic microwave background (CMB) lensing maps with the unWISE Blue and Green galaxy samples, which span the redshift ranges 0.2 ≲ z ≲ 1.1 and 0.3 ≲ z ≲ 1.8, respectively. We improve on prior unWISE cross-correlations not just by making use of the new, high-precision ACT DR6 lensing maps, but also by including additional spectroscopic data for redshift calibration and by analyzing our measurements with a more flexible theoretical model. We determine the amplitude of matter fluctuations at low redshifts (z ≃ 0.2–1.6), finding S 8 ≡ σ 8 (Ω m /0.3) 0.5 = 0.813 ± 0.021 using the ACT cross-correlation alone and S 8 = 0.810 ± 0.015 with a combination of Planck and ACT cross-correlations; these measurements are fully consistent with the predictions from primary CMB measurements assuming standard structure growth. The addition of baryon acoustic oscillation data breaks the degeneracy between σ 8 and Ω m , allowing us to measure σ 8 = 0.813 ± 0.020 from the cross-correlation of unWISE with ACT and σ 8 = 0.813 ± 0.015 from the combination of cross-correlations with ACT and Planck. These results also agree with the expectations from primary CMB extrapolations in ΛCDM cosmology; the consistency of σ 8 derived from our two redshift samples at z ∼ 0.6 and 1.1 provides a further check of our cosmological model. Our results suggest that structure formation on linear scales is well described by ΛCDM even down to low redshifts z ≲ 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Can the Distance–Redshift Relation be Determined from Correlations between Luminosities?

We explore whether an independent determination of the distance–redshift relation, and hence cosmological model parameters, can be obtained from the apparent correlations between two different wave-band luminosities or fluxes, as has been claimed in recent works using the X-ray and ultraviolet luminosities and fluxes of quasars. We show that such an independent determination is possible only if the correlation between luminosities is obtained independently of the cosmological model and measured fluxes and redshifts, for example, based on sound theoretical models or unrelated observations. In particular, we show that if the correlation is determined empirically for two luminosities obtained from fluxes and redshifts, then the method suffers from circularity. In the case where the observed correlation between fluxes in very narrow redshift bins is used as a proxy for the luminosity correlation, we show that one is dealing with a pure tautology with no information on distances and cosmological model. We argue that the problem arises because of the incomplete treatment of the correlation, and we use numerical methods with a joint X-ray and ultraviolet quasar data set to demonstrate this shortcoming.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

CAD-VAE: Leveraging Correlation-Aware Latents for Comprehensive Fair Disentanglement

While deep generative models have significantly advanced representation learning, they may inherit or amplify biases and fairness issues by encoding sensitive attributes alongside predictive features. Enforcing strict independence in disentanglement is often unrealistic when target and sensitive factors are naturally correlated. To address this challenge, we propose CAD-VAE(Correlation-Aware Disentangled VAE), which introduces a correlated latent code to capture the information shared between the target and sensitive attributes. Given this correlated latent, our method effectively separates over-lapping factors without extra domain knowledge by directly minimizing the conditional mutual information between target and sensitive codes. A relevance-driven optimization strategy refines the correlated code by efficiently capturing essential correlated features and eliminating redundancy. Extensive experiments on benchmark datasets demonstrate that CAD-VAE produces fairer representations, realistic counterfactuals, and improved fairness-aware image editing.

Ma, Chenrui [University of California Irvine]↗
DOE OSTI2021

Quantum-classical hybrid algorithm for the simulation of all-electron correlation

While chemical systems containing hundreds to thousands of electrons remain beyond the reach of quantum devices, hybrid quantum-classical algorithms present a promising pathway toward a quantum advantage. Hybrid algorithms treat the exponentially scaling part of the calculation-the static correlation-on the quantum computer and the non-exponentially scaling part-the dynamic correlation-on the classical computer. While a variety of algorithms have been proposed, the dependence of many methods on the total wave function limits the development of easy-to-use classical post-processing implementations. Here, we present a novel combination of quantum and classical algorithms, which computes the all-electron energy of a strongly correlated molecular system on the classical computer from the 2-electron reduced density matrix (2-RDM) evaluated on the quantum device. Significantly, we circumvent the wave function in the all-electron calculations by using density matrix methods that only require input of the statically correlated 2-RDM. Although the algorithm is completely general, we test it with two classical density matrix methods, the anti-Hermitian contracted Schrödinger equation (ACSE) and multiconfiguration pair-density functional theories, using the recently developed quantum ACSE method for simulating the statically correlated 2-RDM. Furthermore, we obtain experimental accuracy for the relative energies of all three benzyne isomers and thereby demonstrate the ability of the developed algorithm to achieve chemically relevant and accurate results on noisy intermediate-scale quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods

The fully correlated frequency-independent Dirac–Coulomb–Breit Hamiltonian provides the most accurate description of electron–electron interaction before going to a genuine relativistic quantum electrodynamics theory of many-electron systems. In this work, we introduce a correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field method within the frameworks of complete active space and density matrix renormalization group. In this approach, the Dirac–Coulomb–Breit Hamiltonian is included variationally in both the mean-field and correlated electron treatment. Here, we also analyze the importance of the Breit operator in electron correlation and the rotation between the positive- and negative-orbital space in the no-virtual-pair approximation. Atomic fine-structure splittings and lanthanide contraction in diatomic fluorides are used as benchmark studies to understand the contribution from the Breit correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals is optimized and independent of the basis set used, there are no problems with using plane-wave basis sets. However, for methods currently used in quantum computing such as select configuration interaction (CI) and coupled cluster (CC) methods, it is necessary to have a virtual space that is able to capture a significant amount of electron-electron correlation in the system. The virtual orbitals in a pseudopotential plane-wave Hartree–Fock calculation, because of Coulomb repulsion, are often scattering states that interact very weakly with the filled orbitals. As a result, very little correlation energy is captured from them. The use of virtual spaces derived from the one-electron operators has also been tried, and while some correlations are captured, the amount is quite low. To overcome these limitations, we have been developing new classes of algorithms to define virtual spaces by optimizing orbitals from small pairwise CI Hamiltonians, which we term as correlation optimized virtual orbitals with the abbreviation COVOs. With these procedures, we have been able to derive virtual spaces, containing only a few orbitals, which are able to capture a significant amount of correlation. The focus in this manuscript is on using these derived basis sets to target full CI (FCI) quality results for H2 on near-term quantum computers. However, the initial results for this approach were promising. We were able to obtain good agreement with FCI/cc-pVTZ results for this system with just 4 virtual orbitals, using both FCI and quantum simulations. The quality of the results using COVOs suggests that it may be possible to use them in other many-body approaches, including coupled cluster and Møller–Plesset perturbation theories, and open up the door to many-body calculations for pseudopotential plane-wave basis set methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Enhanced Electron Correlation and Significantly Suppressed Thermal Conductivity in Dirac Nodal-Line Metal Nanowires by Chemical Doping

Enhancing electron correlation in a weakly interacting topological system has great potential to promote correlated topological states of matter with extraordinary quantum properties. Here, the enhancement of electron correlation in a prototypical topological metal, namely iridium dioxide (IrO 2 ), via doping with 3d transition metal vanadium is demonstrated. Single-crystalline vanadium-doped IrO 2 nanowires are synthesized through chemical vapor deposition where the nanowire yield and morphology are improved by creating rough surfaces on substrates. Vanadium doping leads to a dramatic decrease in Raman intensity without notable peak broadening, signifying the enhancement of electron correlation. The enhanced electron correlation is further evidenced by transport studies where the electrical resistivity is greatly increased and follows an unusual $\sqrt{T}$ dependence on the temperature (T). The lattice thermal conductivity is suppressed by an order of magnitude via doping even at room temperature where phonon-impurity scattering becomes less important. Density functional theory calculations suggest that the remarkable reduction of thermal conductivity arises from the complex phonon dispersion and reduced energy gap between phonon branches, which greatly enhances phase space for phonon–phonon Umklapp scattering. This work demonstrates a unique system combining 3d and 5d transition metals in isostructural materials to enrich the system with various types of interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CMPLE: Correlation Modeling to Decode Photosynthesis Using the Minorize–Maximize Algorithm

In plant genomic experiments, correlations among various biological traits (phenotypes) give new insights into how genetic diversity may have tuned biological processes to enhance fitness under diverse conditions. Consequently, knowing how the correlations are affected by genetic (G) and environmental (E) factors helps develop climate-resilient plants. However, the current literature lacks any method for assessing the effect of predictors on pairwise correlations among multiple phenotypes together with easily interpretable model parameters. To address this need, we propose to model pairwise correlations directly in terms of G and E and develop a computationally efficient inference procedure. Two major novelties in our methodology are (1) the use of a composite pairwise likelihood method to avoid the positive definiteness restriction on the correlation matrix and (2) the use of a novel Minorize–Maximize (MM) algorithm for the efficient estimation of a large number of parameters. The proposed method shows excellent numerical performance on synthetic datasets. Here, the analysis of the motivating data on cowpea reveals that the rates of solar energy storage by photosynthesis (the aggregate trait) are differentially affected by different genetic loci through two distinct processes: “photoinhibition” which results from photodamage caused by excess light, and “photoprotection” which protects plants from photodamage but also results in energy loss.

Correlation modeling↗
DOE OSTI2020

Diquark correlations in hadron physics: Origin, impact and evidence

The last decade has seen a marked shift in how the internal structure of hadrons is understood. Modern experimental facilities, new theoretical techniques for the continuum bound-state problem and progress with lattice-regularised QCD have provided strong indications that soft quark+quark (diquark) correlations play a crucial role in hadron physics. For example, theory indicates that the appearance of such correlations is a necessary consequence of dynamical chiral symmetry breaking, viz. a corollary of emergent hadronic mass that is responsible for almost all visible mass in the universe; experiment has uncovered signals for such correlations in the flavour-separation of the proton's electromagnetic form factors; and phenomenology suggests that diquark correlations might be critical to the formation of exotic tetra- and penta-quark hadrons. Therefore, a broad spectrum of such information is evaluated herein, with a view to consolidating the facts and therefrom moving toward a coherent, unified picture of hadron structure and the role that diquark correlations might play.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Exchange–correlation entropy from the generalized thermal adiabatic connection

Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the development of temperature-dependent approximations to the exchange–correlation free energy. Approaches using the adiabatic connection formula are well known at zero temperature and have been recently leveraged at non-zero temperatures as well. In this work, a generalized thermal adiabatic connection (GTAC) formula is proposed, introducing a fictitious temperature parameter. This allows extraction of the exchange–correlation entropy S XC using simulated interaction strength scaling. Here, this procedure uses a Hellmann–Feynman approach to express the exchange–correlation entropy in terms of a temperature- and interaction strength-dependent exchange–correlation potential energy. In addition, analysis of S XC as a function of interaction strength suggests new forms for approximations, and GTAC itself offers a new framework for exploring both the exact and approximate interplay of temperature, density, and interaction strength across a wide range of conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Sensitivity of transverse momentum correlations to early-stage and thermal fluctuations

Transverse momentum correlations were recently measured by the ALICE collaboration at the LHC [Acharya et al (2020 Phys. Lett. B 804 135375)]. A long-range structure in terms of relative pseudorapidity of particle pairs is observed. This may imply some signal of the initial state owing to the sheer spread of the correlation. However, the fluctuations inside a thermally equilibrated medium have to be taken into account, serving as motivation for this paper. Using lattice Quantum Chromodynamics constraints, we predicted the development and spread of balancing correlations caused by energy-momentum conservation. At the same time, we propagated the Gaussian-shaped initial correlation using hydrodynamics to estimate its effects. Our findings suggest that the resulting correlation, known as ‘the ridge,’ is sensitive both to flucutations seeded in the pre-equilibrium stage and to those seeded in the equilibrated medium. This can provide important insight into the early stages of the collision.

ALICE↗
DOE OSTI2022

Beyond quantum cluster theories: multiscale approaches for strongly correlated systems

The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for their technologically promising properties remain mostly elusive. Computational approaches have played a major role in efforts to fill this void. In particular, dynamical mean field theory and its cluster extension, the dynamical cluster approximation have allowed significant progress. However, despite all the insightful results of these embedding schemes, computational constraints, such as the minus sign problem in quantum Monte Carlo (QMC), and the exponential growth of the Hilbert space in exact diagonalization (ED) methods, still limit the length scale within which correlations can be treated exactly in the formalism. A recent advance aiming to overcome these difficulties is the development of multiscale many body approaches whereby this challenge is addressed by introducing an intermediate length scale between the short length scale where correlations are treated exactly using a cluster solver such QMC or ED, and the long length scale where correlations are treated in a mean field manner. At this intermediate length scale correlations can be treated perturbatively. This is the essence of multiscale many-body methods. Furthermore, we will review various implementations of these multiscale many-body approaches, the results they have produced, and the outstanding challenges that should be addressed for further advances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗