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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

The addition of dispersion corrections to density functionals is essential for accurate energy and geometry predictions. Among them, the D4 scheme is popular due to its low computational cost and high accuracy. However, due to its design, the D4 correction can occasionally lead to anomalies, such as unphysical curvature and bumps in the potential energy surface. We find these anomalies are common in the D4 model, although observable consequences are rarer than in the D3 model for reasons we explain. Nevertheless, we uncover instances of unphysical local minima and stationary points with the D4 scheme and propose two solutions that yield smoother dispersion energy as a function of nuclear position. One is trivial to implement, based on a smoother reparametrization of Gaussian weighting (D4S) to find the effective coordination number. The other replaces Gaussian weighting with soft linear interpolation (D4SL). These new approaches usually remove artificial extremum points, while maintaining accuracy.

Tkachenko, Nikolay V↗
DOE OSTI2026

Functionalized benzylamines from commercial kraft lignin

Benzylamines are key intermediates in pharmaceuticals, agrochemicals, and polymers, but their conventional production relies on benzyl chloride - a petroleum-derived compound with high toxicity and energy demands. Lignin, accounting for up to 30% of plant biomass, is the largest renewable source of aromatic carbon on Earth. However, its highly complex and recalcitrant structure poses a major barrier to efficient conversion into high-value chemicals. Here, in this study, we developed a catalytic approach to convert commercial kraft lignin into phenolic benzylamines through selective depolymerization and subsequent functionalization. We systematically evaluated the effects of three alcohol solvents, formic acid (FA), and a ruthenium-on‑carbon (Ru/C) catalyst on monophenol yield and selectivity. Up to 6.5 wt% monophenol yield was achieved using methanol (MeOH), FA, and Ru/C at 300 °C for 2 h. Quantum thermodynamic simulations based on the COSMO-RS model confirmed the superior solvation and reactivity of the MeOH + FA system, rationalizing observed product yield. The purified monophenolic products, primarily guaiacol and alkyl guaiacols, were then converted into functionalized benzylamines with >90% yield via a multicomponent Mannich reaction under mild conditions. Techno economic analysis (TEA) and life cycle assessment (LCA) underscore the importance of improving lignin depolymerization yields and expanding biorefinery scale. Solvent-only configurations outperform other options in both cost and emissions, with the methanol-only case performing the best ($\$$105 /kg and 26 kg CO 2e /kg) at a large-scale facility. This study establishes a scalable, bio-based pathway for producing benzylamines from commercial kraft lignin, advancing lignin valorization and offering a sustainable alternative to produce petrochemical-based benzylamines.

Catalytic reduction↗
DOE OSTI2017

Unified halo-independent formalism from convex hulls for direct dark matter searches

Using the Fenchel-Eggleston theorem for convex hulls (an extension of the Caratheodory theorem), we prove that any likelihood can be maximized by either a dark matter 1- speed distribution F ( v ) in Earth's frame or 2- Galactic velocity distribution f gal ( ) , consisting of a sum of delta functions. The former case applies only to time-averaged rate measurements and the maximum number of delta functions is ( -1) , where is the total number of data entries. The second case applies to any harmonic expansion coefficient of the time-dependent rate and the maximum number of terms is . Using time-averaged rates, the aforementioned form of F ( v ) results in a piecewise constant unmodulated halo function 0 BF ( v min ) (which is an integral of the speed distribution) with at most ( -1) downward steps. The authors had previously proven this result for likelihoods comprised of at least one extended likelihood, and found the best-fit halo function to be unique. This uniqueness, yet, cannot be guaranteed in the more general analysis applied to arbitrary likelihoods. Thus we introduce a method for determining whether there exists a unique best-fit halo function, and provide a procedure for constructing either a pointwise confidence band, if the best-fit halo function is unique, or a degeneracy band, if it is not. Using measurements of modulation amplitudes, the aforementioned form of f gal ( ) , which is a sum of Galactic streams, yields a periodic time-dependent halo function BF ( v min , t ) which at any fixed time is a piecewise constant function of v min with at most downward steps. In this case, we explain how to construct pointwise confidence and degeneracy bands from the time-averaged halo function. Lastly, we show that requiring an isotropic Galactic velocity distribution leads to a Galactic speed distribution F ( u ) that is once again a sum of delta functions, and produces a time-dependent BF ( v min , t ) function (and a time-averaged 0 BF ( v min )) that is piecewise linear, differing significantly from best-fit halo functions obtained without the assumption of isotropy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Many-Body Benchmark of Electronic Charge and Spin Densities for Li 1–x NiO 2

Accurate benchmarks are particularly important for highly correlated oxides as mean-field approximations often fail to describe the subtle balance of charge transfer and magnetism in these materials with an accuracy comparable to experimental needs. Here we present accurate diffusion Monte Carlo (DMC) results of the electronic charge and spin densities for the tunable highly correlated oxide Li 1–x NiO 2 for x = 0, 1/2, and 1. To enable quantitative comparisons, we introduce a robust density-partitioning scheme, extending Voronoi analysis to assign atomic charges from spatially noisy DMC densities. We then benchmark common approximations used in density functional theory (DFT). Comparison against DMC shows that r 2 SCAN delivers the most balanced performance across charge, spin, and radial density descriptors, nearly reproducing DMC results for LiNiO 2 and apical Ni sites in Li 0.5 NiO 2 . Hybrid functionals (PBE0, SCAN0) perform unexpectedly poorly, and PBE + U + V yields inconsistent trends between charge and spin densities. Therefore, the r 2 SCAN functional minimizes errors relative to DMC while capturing the variable valence of the Ni ion and also retaining the computational efficiency of DFT for large-scale simulations of the tunable structural and electronic phases of Li1−xNiO2. Our study highlights the importance of accurate benchmarking of the fundamental quantities involved in DFT to select appropriate DFT approximations in order to advance the predictive modeling of charge-transfer-driven phenomena in correlated electron systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optical functions of uniaxial rutile and anatase (TiO 2 ) revisited

In this study, the optical functions of uniaxial rutile and anatase (TiO2) were determined from 200 to 850 nm (6.2 to 1.46 eV) using several of four optical techniques: (1) standard spectroscopic two-modulator generalized ellipsometry (2-MGE), (2) near-normal-incidence two-modulator generalized ellipsometry microscopy (2-MGEM), (3) Mueller matrix transmission of rutile, and (4) polarized transmission of rutile. The 2-MGE measurements yielded highly accurate values of the dielectric functions and error estimates from 1.46 to 6.2 eV, whereas the polarization-dependent transmission yielded more accurate values of the absorption coefficient below the band edge of rutile. The 2-MGEM also measured the diattenuation, which is related to the birefringence, and other parameters but at near-normal incidence at a single wavelength (577 nm).

36 MATERIALS SCIENCE↗
DOE OSTI2018

The structural and dynamical role of water in natural organic matter: A 2H NMR and XRD study

Natural organic matter (NOM) is an important component in many near-surface geochemical environments, and its properties are greatly affected by the incorporation of water. Because of its importance, the macroscopic behavior and effects of water in NOM and soil organic matter (SOM) have been extensively studied using a wide range of experimental and computational methods. The molecular scale structural and dynamical behavior of water in these materials, however, is less well understood. This paper presents a variable temperature 2 H NMR and XRD study of water in Suwannee River NOM and its fulvic acid (FA) and humic acid (HA) fractions that provides new insight into the dynamical behavior of structurally different types of water and exchangeable hydrogen environments in NOM. The results provide a basis for future studies of more complex natural organic materials and the interaction of organic materials with mineral surfaces. Room temperature 2 H NMR spectra of samples hydrated in 2 H 2 O and then dehydrated, distinguish 2 H 2 O molecules that are in rapid reorientational motion (correlation times, ν c, > 10 5 Hz), 2 H exchanged onto carboxylic sites of the NOM that do not undergo rapid reorientation at frequencies >~10 3 Hz, and 2 H exchanged onto phenolic and possibly other alcohol sites of the NOM that undergoes rapid, but anisotropic, dynamical reorientation. For samples exposed to water and not dried, the XRD results collected at temperatures from 173 to 298 K show the formation of ice-1h in samples exposed to 100% relative humidity (R.H.) but not in samples exposed to 43% R.H. 2 H NMR of those samples collected at temperatures from 313 K to 173 K show the presence of multiple sites. Near room temperature, the spectra contain a narrow resonance for mobile water undergoing rapid isotropic motion, and a broader symmetrical resonance probably due to a combination of more dynamically restricted water molecules and 2 H exchanged onto phenolic and alcohol functional groups undergoing rapid anisotropic motion. The 43% R.H. samples also yield a broader, quadrupole-dominated, resonance for 2 H exchanged onto functional groups of the NOM. With decreasing temperature the resonances for dynamically restricted water molecules and 2 H exchanged onto phenolic and alcohol functional groups become broader, reflecting a decreasing rate of exchange between the water molecules and functional groups and a decreasing rate of reorientation of the 2 H 2 O molecules. The formation of ice-1h is directly reflected in the 2 H spectra of the 100% R.H. samples as a resonance with a quadrupole coupling constant (QCC) of ~180 kHz. For the 43% R.H. samples, there is also a broad, poorly resolved resonance with typical QCCs of ~180 kHz for which the relative signal intensity increases with decreasing temperature. This signal represents 2 H 2 O molecules that are not crystallized in ice-1h but have greatly reduced reorientation frequencies at low temperature and a hydrogen bonding network with hydrogen bond strengths similar to, but somewhat weaker than, ice-1h. Such molecules are also likely to be present in the 100% R.H. samples. At both R.H.s, some of the 2 H 2 O molecules do not freeze and retain their isotropic motion down to 173 K, the lowest temperature investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Linear and nonlinear rheology and structural relaxation in dense glassy and jammed soft repulsive pNIPAM microgel suspensions

We present an integrated experimental and quantitative theoretical study of the mechanics of self-crosslinked, slightly charged, repulsive pNIPAM microgel suspensions over a very wide range of concentrations (c) that span the fluid, glassy and putative “soft jammed” regimes. In the glassy regime we measure a linear elastic dynamic shear modulus over 3 decades which follows an apparent power law concentration dependence G' ~ c 5.64 , a variation that appears distinct from prior studies of crosslinked ionic microgel suspensions. At very high concentrations there is a sharp crossover to a nearly linear growth of the modulus. To theoretically understand these observations, we formulate an approach to address all three regimes within a single conceptual Brownian dynamics framework. A minimalist single particle description is constructed that allows microgel size to vary with concentration due to steric de-swelling effects. Using a Hertzian repulsion interparticle potential and a suite of statistical mechanical theories, quantitative predictions under quiescent conditions of microgel collective structure, dynamic localization length, elastic modulus, and the structural relaxation time are made. Based on a constant inter-particle repulsion strength parameter which is determined by requiring the theory to reproduce the linear elastic shear modulus over the entire concentration regime, we demonstrate good agreement between theory and experiment. Testable predictions are then made. We also measured nonlinear rheological properties with a focus on the yield stress and strain. A theoretical analysis with no adjustable parameters predicts how the quiescent structural relaxation time changes under deformation, and how the yield stress and strain change as a function of concentration. Reasonable agreement with our observations is obtained. To the best of our knowledge, this is the first attempt to quantitatively understand structure, quiescent relaxation and shear elasticity, and nonlinear yielding of dense microgel suspensions using microscopic force based theoretical methods that include activated hopping processes. Here, we expect our approach will be useful for other soft polymeric particle suspensions in the core–shell family.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Optical functions of crystalline and amorphous TeO2

The optical functions of crystalline paratellurite (α-TeO2) and amorphous TeO2 were determined using several optical techniques: (1) standard spectroscopic two-modulator generalized ellipsometry (2-MGE) of paratellurite (200–850 nm, 6.2–1.46 eV), (2) near-normal-incidence two-modulator generalized ellipsometry microscopy (2-MGEM) of paratellurite (577 nm, 2.15 eV), (3) Mueller matrix transmission of paratellurite (320–798 nm, 3.87–1.55 eV), and (4) polarized transmission of paratellurite (323.6–334.3 nm, 3.83–3.71 eV). The 2-MGE measurements yielded highly accurate values of the dielectric functions and error estimates from 1.46 to 6.2 eV for both paratellurite and amorphous TeO2, whereas the polarization-dependent transmission yielded more accurate values of the absorption coefficient below the band edge of paratellurite. The 2-MGEM measured the diattenuation of paratellurite, which is related to the birefringence. Mueller matrix transmission measurements of paratellurite of a (001) cut crystal as a function of angle of incidence were used to determine both the birefringence and the rotary power as a function of photon energy.

Jellison Jr, Gerald [ORNL]↗
DOE OSTI2021

Drell-Yan q T resummation of fiducial power corrections at N 3 LL

We consider Drell-Yan production pp → V*X → LX at small q T << Q, where q T and Q are the total transverse momentum and invariant mass of the leptonic final state L. Experimental measurements require fiducial cuts on L, which in general introduce enhanced, linear power corrections in q T /Q. We show that they can be unambiguously predicted from factorization, and resummed to the same order as the leading-power contribution. For the fiducial q T spectrum, they constitute the complete linear power corrections. We thus obtain predictions for the fiducial q T spectrum to N 3 LL and next-to-leading-power in q T /Q. Matching to full NNLO ($α$$^{2}_{s}$), we find that the linear power corrections are indeed the dominant ones, and once included by factorization, the remaining fixed-order corrections become almost negligible below q T ≲ 40 GeV. We also discuss the implications for more complicated observables, and provide predictions for the fiducial Φ* spectrum at N 3 LL+NNLO. We find excellent agreement with ATLAS and CMS measurements of q T and Φ*. We also consider the $p$$^{ℓ}_{T}$ spectrum. We show that it develops leptonic power corrections in q T /(Q – 2$p$$^{ℓ}_{T}$), which diverge near the Jacobian peak $p$$^{ℓ}_{T}$ ~ Q/2 and must be kept to all powers to obtain a meaningful result there. Doing so, we obtain for the first time an analytically resummed result for the $p$$^{ℓ}_{T}$ spectrum around the Jacobian peak at N 3 LL+NNLO. Our method is based on performing a complete tensor decomposition for hadronic and leptonic tensors. We show that in practice this is equivalent to often-used recoil prescriptions, for which our results now provide rigorous, formal justification. Our tensor decomposition yields nine Lorentz-scalar hadronic structure functions, which for Z/γ* → ℓℓ or W → ℓν directly map onto the commonly used angular coefficients, but also holds for arbitrary leptonic final states. In particular, for suitably defined Born-projected leptons it still yields a LO-like angular decomposition even when including QED final-state radiation. Finally, we also discuss the application to q T subtractions. Including the unambiguously predicted fiducial power corrections significantly improves their performance, and in particular makes them applicable near kinematic edges where they otherwise break down due to large leptonic power corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands

We report the synthesis, crystal structures, photophysical and magnetic properties of 11 novel lanthanide complexes with the asymmetrically functionalized trispyrazolylborate ligand 4-nitrotrispyrazolylborate, 4-NO 2 Tp–: [Ln(4-NO 2 Tp) 3 ] (Ln = La–Dy, except Pm). In-depth photophysical characterization of the ligands via luminescence, reflectance and absorption spectroscopic techniques, decay lifetimes, quantum yields supported by time-dependent density functional theory (TD-DFT) and natural bond order (NBO) analysis reveal that n-NO 2 Tp– ligands are dominated by intra-ligand charge transfer (ILCT) transitions and that second-sphere interactions are critical to the stabilization of the T 1 state of n-NO 2 Tp– ligands and hence their ability to sensitize Ln 3+ emission. The luminescence properties of the complexes indicate that 4-NO 2 Tp– is a poor sensitizer of Ln 3+ emission, unlike 3-NO 2 Tp–. Moreover, [Nd(4-NO 2 Tp) 3 ] (crystallized as a hexane solvate) displays single-molecule magnet (SMM) properties, with longer relaxation times and larger barrier than the non-functionalized [NdTp 3 ], attributed to the addition of the NO 2 -group and subsequent rigidification of the molecular structure.

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

Quasi-isentropic compression of an additively manufactured aluminum alloy to 14.8 GPa

We uniaxially and shocklessly compressed an additively manufactured aluminum alloy, laser powder bed fusion (LPBF) AlSi10Mg, to peak stresses ranging from 4.4 to 14.8 GPa at peak strain rates on the order of [Formula: see text] via a series of magnetic loading experiments to measure the principal isentrope, yield strength, and shear modulus as a function of material orientation and applied stress. We did not observe significant anisotropy in any of the measured quantities. We found that the principal isentrope, within the uncertainty and up to our peak stress, overlaps the material’s Hugoniot. We measured yield strengths and shear moduli ranging from 0.28 to 0.81 GPa and 36 to 52 GPa, respectively. Our results indicate that LPBF AlSi10Mg behaves similarly to wrought Al alloys under quasi-isentropic compression.

Brown, Nathan P.↗
DOE OSTI2022

A functional map of HIV-host interactions in primary human T cells

Human Immunodeficiency Virus (HIV) relies on host molecular machinery for replication. Systematic attempts to genetically or biochemically define these host factors have yielded hundreds of candidates, but few have been functionally validated in primary cells. Here, we target 426 genes previously implicated in the HIV lifecycle through protein interaction studies for CRISPR-Cas9-mediated knock-out in primary human CD4+ T cells in order to systematically assess their functional roles in HIV replication. We achieve efficient knockout (>50% of alleles) in 364 of the targeted genes and identify 86 candidate host factors that alter HIV infection. 47 of these factors validate by multiplex gene editing in independent donors, including 23 factors with restrictive activity. Both gene editing efficiencies and HIV-1 phenotypes are highly concordant among independent donors. Importantly, over half of these factors have not been previously described to play a functional role in HIV replication, providing numerous novel avenues for understanding HIV biology. These data further suggest that host-pathogen protein-protein interaction datasets offer an enriched source of candidates for functional host factor discovery and provide an improved understanding of the mechanics of HIV replication in primary T cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Near-Edge Soft X-ray Absorption Mass Spectrometry of Protonated Melittin

We have investigated the photoionization and photofragmentation yields of gas-phase multiply protonated melittin cations for photon energies at the K-shell absorption edges of carbon, nitrogen, and oxygen. Two similar experimental approaches were employed. In both experiments, mass selected [melittin+qH]{sup q+} (q=2–4) ions were accumulated in radiofrequency ion traps. The trap content was exposed to intense beams of monochromatic soft X-ray photons from synchrotron beamlines and photoproducts were analyzed by means of time-of-flight mass spectrometry. Mass spectra were recorded for fixed photon energies, and partial ion yield spectra were recorded as a function of photon energy. The combination of mass spectrometry and soft X-ray spectroscopy allows for a direct correlation of protein electronic structure with various photoionization channels. Non-dissociative single and double ionization are used as a reference. The contribution of both channels to various backbone scission channels is quantified and related to activation energies and protonation sites. Soft X-ray absorption mass spectrometry combines fast energy deposition with single and double ionization and could complement established activation techniques. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Influence of strain on SrFeO 3-δ oxidation, reduction, and water dissociation: Insights from ambient pressure X-ray photoelectron spectroscopy

The oxidation and reduction of metal oxides and their interaction with the environment play a critical role in their use for energy storage and conversion applications. The formation of surface adsorbates and their impact on oxide electronic structure can be challenging to probe experimentally, particularly for thin films which enable the study of epitaxial strain but have low surface areas. Here we present a detailed study using ambient pressure X-ray photoelectron spectroscopy of the reduction and oxidation of strained SrFeO 3-δ , induced by changes in temperature, oxygen partial pressure, and water vapor exposure. We find that in comparison to the oxidized lattice, application of tensile strain promotes the formation of oxygen vacancies at the surface, facilitating the subsequent incorporation of oxygen into the lattice in an oxygen environment. While tensile strain does promote the formation of hydroxyls from water dissociation, the kinetics of this process appear more sluggish than on less-strained surfaces, likely due to a competitive surface interaction with oxygen or bulk absorption of hydroxyl species. These findings relating strain, oxygen vacancies, and surface reactivity yield important insight into the surface functionality of oxides for energy conversion and storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Hydrothermal synthesis of lanthanide rhenium oxides: Structures and magnetism of Ln 2 Re 2 O 7 (OH) (Ln = Pr, Nd) and Ln 4 Re 2 O 11 (Ln = Eu, Tb)

The reactions of Ln 2 O 3 (Ln =LaLu) with ReO 2 were examined in high temperature hydrothermal water (650 °C). In all cases the rhenium oxide was added in a three-fold excess. No external mineralizer was needed and the rhenate itself acted as a sufficient mineralizer to form high quality single crystals of several crystalline products. These form in good yield with compositions varying as a function of the size of the rare earth ion. The largest sesquioxide, La 2 O 3 , forms the well-known La 4 Re 6 O 19 phase, but when Ln = Nd or Pr, a new product, Ln 2 Re 2 O 7 (OH), is isolated. Reactions with Ln = SmTb form Ln 4 Re 2 O 11 , and those with DyLu form Ln 2 ReO 5 . The new Ln 2 Re 2 O 7 (OH) series was characterized as a new structure type by single crystal X-ray diffraction. This structure features a tetrameric Re 4 O 16 cluster embedded in a lanthanide oxide framework. Additional detailed structural data is also provided for Tb 4 Re 2 O 11 and Eu 4 Re 2 O 11 , which were not previously reported for the Ln 4 Re 2 O 11 family. In Ln 2 Re 2 O 7 (OH), no direct ReRe bond (ReRe = 2.60 Å) is observed while Ln 4 Re 2 O 11 appears to possess a rhenium-rhenium double bond with a ReRe distance of 2.42 Å. Single crystal Raman data supports both of these characterizations. Magnetic data is reported for Ln 2 Re 2 O 7 (OH) and Tb 4 Re 2 O 11 , and their behavior appears to be dominated by the f-element magnetic moments. At low temperatures Tb 4 Re 2 O 11 displays possible canted antiferromagnetic coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Using Simulation to Examine the Effect of MPI Message Matching Costs on Application Performance

Attaining high performance with MPI applications requires efficient message matching to minimize message processing overheads and the latency these overheads introduce into application communication. We use a validated simulation-based approach to examine the relationship between MPI message matching performance and application time-to-solution. Specifically, we examine how the performance of several important HPC workloads is affected by the time required for matching. Our analysis yields several important contributions: (i) the performance of current workloads is unlikely to be significantly affected by MPI matching unless match queue operations get much slower or match queues get much longer; (ii) match queue designs that provide sublinear performance as a function of queue length are unlikely to yield much benefit unless match queue lengths increase dramatically; and (iii) we provide guidance on how long the mean time per match attempt may be without significantly affecting application performance. The results and analysis in this paper provide valuable guidance on the design and development of MPI message match queues.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Neutral to charged kaon yield fluctuations in Pb – Pb collisions at $\sqrt{s_{NN}}$ = 2.76 TeV

We present the first measurement of event-by-event fluctuations in the kaon sector in Pb – Pb collisions at $\sqrt{s_{NN}}$ = 2.76 TeV with the ALICE detector at the LHC. The robust fluctuation correlator νdyn is used to evaluate the magnitude of fluctuations of the relative yields of neutral and charged kaons, as well as the relative yields of charged kaons, as a function of collision centrality and selected kinematic ranges. While the correlator $ν_{dyn}[K^+, K^–]$ exhibits a scaling approximately in inverse proportion of the charged particle multiplicity, $ν_{dyn}[K^0_S, K^±]$ features a significant deviation from such scaling. Within uncertainties, the value of $ν_{dyn}[K^0_S, K^±]$ is independent of the selected transverse momentum interval, while it exhibits a pseudorapidity dependence. The results are compared with HIJING, AMPT and EPOS–LHC predictions, and are further discussed in the context of the possible production of disoriented chiral condensates in central Pb – Pb collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Studying drought-induced forest mortality using high spatiotemporal resolution evapotranspiration data from thermal satellite imaging

Drought can have pervasive and wide-spread impacts to forest health, as evidenced in several severe events occurring over the recent decades. Extensive forest die-off due to drought can impair the ecological functioning of forests, impacting habitat, water yield and quality from forested lands, and altering forest fire dynamics and intensity. Satellite remote sensing provides an effective means for detecting and monitoring spatial patterns of forest mortality over large areas, exploiting free and open long-term image archives available at a range in spatial and temporal resolutions. While remotely sensed surface reflectances and vegetation indices have been widely used to study optical response of forest canopies to drought events, retrievals of evapotranspiration (ET) derived from thermal satellite imagery – particularly at resolutions approaching crown scale - can provide insights into cumulative tree stresses that can incite disease and trigger mortality. In this study, we applied a multi-sensor satellite data fusion approach to estimate daily 30-m resolution ET and an associated Evaporative Stress Index (ESI) to study drought-induced mortality in a temperate forest at the Missouri Ozark AmeriFlux (MOFLUX) site, located in the central United States. The study covered the period from 2010 to 2014, including an exceptional drought year of 2012. Modeled ET agreed well with eddy flux measurements from the MOFLUX tower, with average monthly relative errors of 15%. Plot-scale ESI, describing temporal anomalies in the ratio of actual-to-reference ET, was used as an index of relative forest health to investigate relationships between forest mortality and drought severity. ESI showed good agreement with observed predawn leaf water potential, especially during the drought year. Furthermore, plot-scale ESI was also correlated with the subsequent year's tree mortality, suggesting the importance of considering the forest health condition prior to drought when studying drought-induced forest impacts. This study demonstrates the utility of multi-year ET remote sensing data at the stand or plot scale as an indicator of forest health and as a predictor of future mortality due to drought.

54 ENVIRONMENTAL SCIENCES↗