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All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Low-Cost Sensor Performance Intercomparison, Correction Factor Development, and 2+ Years of Ambient PM2.5 Monitoring in Accra, Ghana

Particulate matter air pollution is a leading cause of global mortality, particularly in Asia and Africa. Addressing the high and wide-ranging air pollution levels requires ambient monitoring, but many low- and middle-income countries (LMICs) remain scarcely monitored. To address these data gaps, recent studies have utilized low-cost sensors. These sensors have varied performance, and little literature exists about sensor intercomparison in Africa. By colocating 2 QuantAQ Modulair-PM, 2 PurpleAir PA-II SD, and 16 Clarity Node-S Generation II monitors with a reference-grade Teledyne monitor in Accra, Ghana, we present the first intercomparisons of different brands of low-cost sensors in Africa, demonstrating that each type of low-cost sensor PM2.5 is strongly correlated with reference PM2.5, but biased high for ambient mixture of sources found in Accra. When compared to a reference monitor, the QuantAQ Modulair-PM has the lowest mean absolute error at 3.04 μg/m3, followed by PurpleAir PA-II (4.54 μg/m3) and Clarity Node-S (13.68 μg/m3). We also compare the usage of 4 statistical or machine learning models (Multiple Linear Regression, Random Forest, Gaussian Mixture Regression, and XGBoost) to correct low-cost sensors data, and find that XGBoost performs the best in testing (R2: 0.97, 0.94, 0.96; mean absolute error: 0.56, 0.80, and 0.68 μg/m3 for PurpleAir PA-II, Clarity Node-S, and Modulair-PM, respectively), but tree-based models do not perform well when correcting data outside the range of the colocation training. Therefore, we used Gaussian Mixture Regression to correct data from the network of 17 Clarity Node-S monitors deployed around Accra, Ghana, from 2018 to 2021. We find that the network daily average PM2.5 concentration in Accra is 23.4 μg/m3, which is 1.6 times the World Health Organization Daily PM2.5 guideline of 15 μg/m3. While this level is lower than those seen in some larger African cities (such as Kinshasa, Democratic Republic of the Congo), mitigation strategies should be developed soon to prevent further impairment to air quality as Accra, and Ghana as a whole, rapidly grow.

Humidity↗
DOE OSTI2023

MgSiP 2 : An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold

Superior infrared nonlinear optical (NLO) crystals are in urgent demand in the development of lasers and optical technologies for communications and computing. The critical challenge is to find a crystal with large non‐resonant phase‐matchable NLO coefficients and high laser damage threshold (LDTs) simultaneously, which however scale inversely. This work reports such a material, MgSiP 2, that exhibits a large second harmonic generation (SHG) coefficient of d 14 ≈ d 36 = 89 ± 5 pm V −1 at 1550 nm fundamental wavelength, surpassing the commercial NLO crystals AgGaS 2 , AgGaSe 2 , and ZnGeP 2 . First principles theory reveals the polarizability and geometric arrangement of the [SiP 4 ] tetrahedral units as the origin of this large nonlinear response. Remarkably, it also exhibits a high LDT value of 684 GW cm −2 , which is six times larger than ZnGeP 2 and three times larger than CdSiP 2 . It has a wide transparency window of 0.53–10.35 µm, allowing broadband tunability. Further, it is Type I and Type II phase‐matchable with large effective SHG coefficients of d eff,I ≈80.2 pm V −1 and d eff,II ≈73.4 pm V −1 . The outstanding properties of MgSiP 2 make it a highly attractive candidate for optical frequency conversion in the infrared.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tailored Frequency Conversion in Nonlinear Subwavelength Grating Metaslabs

The use of metaslab waveguides consisting of subwavelength gratings (SWGs) is proposed as a highly flexible approach to obtain phase‐matched frequency conversion in nonlinear integrated devices. Control over the phase matching (PM) condition is achieved through modification of the linear modal propagation constants by the SWG. The method is experimentally demonstrated by fabrication of 0.4 mm‐long GaAs metaslabs designed for second harmonic generation of near‐infrared light. A controlled spectral shift of up to 100 nm in the PM condition, relative to a uniform slab is observed. Excellent agreement is found between the experimental results and finite‐difference eigenmode simulations, which predict a tunable frequency conversion bandwidth of ∼300 nm for the design parameters. The different regimes of PM control supported by the structure are discussed. This work highlights the potential of SWGs as building blocks for tailored frequency conversion in nonlinear integrated devices.

Form birefringence↗
DOE OSTI2024

Measurement of the Z boson production cross-section in pp collisions at $ \sqrt{s}$ = 5.02 TeV

The first measurement of the Z boson production cross-section at centre-of-mass energy $\sqrt{s}$ = 5.02 TeV in the forward region is reported, using pp collision data collected by the LHCb experiment in year 2017, corresponding to an integrated luminosity of 100 ± 2 pb –1 . The production cross-section is measured for final-state muons in the pseudorapidity range 2.0 < η < 4.5 with transverse momentum p T > 20 GeV/c. The integrated cross-section is determined to be ${\sigma}_{Z\to \mu +\mu -}=39.6\pm 0.7\left(\textrm{stat}\right)\pm 0.6\left(\textrm{syst}\right)\pm 0.8\left(\textrm{lumi}\right)\textrm{pb}$ for the di-muon invariant mass in the range 60 < M μμ < 120 GeV/c 2 . This result and the differential cross-section results are in good agreement with theoretical predictions at next-to-next-to-leading order in the strong coupling constant. Based on a previous LHCb measurement of the Z boson production cross-section in pPb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV, the nuclear modification factor RpPb is measured for the first time at this energy. The measured values are ${1.2}_{-0.3}^{+0.5}$ (stat) ± 0.1(syst) in the forward region (1.53 < ${y}_{\mu}^{\ast }$ < 4.03) and ${3.6}_{-0.9}^{+1.6}$ (stat) ± 0.2(syst) in the backward region (–4.97 < ${y}_{\mu}^{\ast }$ < –2.47), where ${y}_{\mu}^{\ast }$ represents the muon rapidity in the centre-of-mass frame.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the ratio of branching fractions $\mathcal{B}\left({B}_c^{+}\to {B}_s^0{\pi}^{+}\right)/\mathcal{B}\left({B}_c^{+}\to J/\psi {\pi}^{+}\right)$

The ratio of branching fractions of ${B}_c^{+}\to {B}_s^0{\pi}^{+}$ and ${B}_c^{+}\to J/\psi {\pi}^{+}$ decays is measured with proton-proton collision data of a centre-of-mass energy of 13 TeV. The data were collected with the LHCb experiment during 2016–2018, corresponding to an integrated luminosity of 5.4 fb –1 . The ${B}_s^0$ mesons are reconstructed via the decays ${B}_s^0\to J/\psi \phi$ and ${B}_s^0\to {D}_s^{-}{\pi}^{+}$. The ratio of branching fractions is measured to be $\mathcal{B}\left({B}_c^{+}\to {B}_s^0{\pi}^{+}\right)/\mathcal{B}\left({B}_c^{+}\to J/\psi {\pi}^{+}\right)=91\pm 10\pm 8\pm 3$ where the first uncertainty is statistical, the second is systematic and the third is due to the knowledge of the branching fractions of the intermediate state decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Measurement of the t-channel single top quark cross section in proton-proton collisions at $\sqrt{s}=5.02$ TeV

The single top quark t-channel production cross section is measured in proton-proton collisions at the CERN LHC at $\sqrt{s}=5.02$ TeV, using data recorded with the CMS detector in 2017, corresponding to an integrated luminosity of 302 pb −1 , and resulting in the first CMS measurement of the process at that energy. Events with one electron or muon and two or more jets, among which at least one is identified as originating from a b quark fragmentation, are analyzed. The combined cross section of single top quark (tq) and single top antiquark ($\overline{\mathrm{t}}\mathrm{q}$) production is $\sigma \left(\mathrm{tq}+\overline{\mathrm{t}}\mathrm{q}\right)={25.5}_{-3.5}^{+3.6}{\left(\mathrm{stat}\right)}_{-3.9}^{+4.2}\left(\mathrm{syst}\right)\pm 0.5\left(\mathrm{lumi}\right)$ pb. The individual cross sections are measured to be $\sigma \left(\mathrm{tq}\right)={17.7}_{-2.7}^{+2.9}{\left(\mathrm{stat}\right)}_{-2.4}^{+2.6}\left(\mathrm{syst}\right)\pm 0.3\left(\mathrm{lumi}\right)$ pb and $\sigma \left(\overline{\mathrm{t}}\mathrm{q}\right)={6.7}_{-1.6}^{+2.4}{\left(\mathrm{stat}\right)}_{-2.5}^{+2.1}\left(\mathrm{syst}\right)\pm 0.1\left(\mathrm{lumi}\right)$ pb. Their ratio is measured to be ${\mathcal{R}}_{\mathrm{t}-\mathrm{ch}}={2.7}_{-0.8}^{+1.5}{\left(\mathrm{stat}\right)}_{-0.3}^{+1.2}\left(\mathrm{syst}\right)$. The absolute value of the Cabibbo-Kobayashi-Maskawa matrix element is found to be |f LV V tb | = 0.92 ± 0.09(exp) ± 0.01(theo). The measurements are in good agreement with the standard model predictions at next-to-next-to-leading order accuracy in quantum chromodynamics.

Hadron-Hadron Scattering↗
DOE OSTI2024

Measurements of $$ {K}_S^0 $$-$$ {K}_L^0 $$ asymmetries in the decays $$ {\Lambda}_c^{+}\to p{K}_{L,S}^0 $$, $$ p{K}_{L,S}^0{\pi}^{+}{\pi}^{-} $$ and $$ p{K}_{L,S}^0{\pi}^0 $$

Abstract Usinge + e − annihilation data sets corresponding to an integrated luminosity of 4.5 fb −1 , collected with the BESIII detector at center-of-mass energies between 4.600 and 4.699 GeV, we report the first measurements of the absolute branching fractions$$ \mathcal{B}\left({\Lambda}_c^{+}\to p{K}_L^0\right) $$ B Λ c + → p K L 0 = (1.67±0.06±0.04)%,$$ \mathcal{B}\left({\Lambda}_c^{+}\to p{K}_L^0{\pi}^{+}{\pi}^{-}\right) $$ B Λ c + → p K L 0 π + π − = (1.69±0.10±0.05)%, and$$ \mathcal{B}\left({\Lambda}_c^{+}\to p{K}_L^0{\pi}^0\right) $$ B Λ c + → p K L 0 π 0 = (2.02±0.13±0.05)%, where the first uncertainties are statistical and the second systematic. Combining with the known branching fractions of$$ {\Lambda}_c^{+}\to p{K}_S^0 $$ Λ c + → p K S 0 ,$$ {\Lambda}_c^{+}\to p{K}_S^0{\pi}^{+}{\pi}^{-} $$ Λ c + → p K S 0 π + π − , and$$ {\Lambda}_c^{+}\to p{K}_S^0{\pi}^0 $$ Λ c + → p K S 0 π 0 , we present the first measurements of the$$ {K}_S^0 $$ K S 0 -$$ {K}_L^0 $$ K L 0 asymmetries$$ R\left({\Lambda}_c^{+},{K}_{S,L}^0X\right)=\frac{\mathcal{B}\left({\Lambda}_c^{+}\to {K}_S^0X\right)-\mathcal{B}\left({\Lambda}_c^{+}\to {K}_L^0X\right)}{\mathcal{B}\left({\Lambda}_c^{+}\to {K}_S^0X\right)+\mathcal{B}\left({\Lambda}_c^{+}\to {K}_L^0X\right)} $$ R Λ c + K S , L 0 X = B Λ c + → K S 0 X − B Λ c + → K L 0 X B Λ c + → K S 0 X + B Λ c + → K L 0 X in charmed baryon decays:$$ R\left({\Lambda}_c^{+},p{K}_{S,L}^0\right)=-0.025\pm 0.031 $$ R Λ c + p K S , L 0 = − 0.025 ± 0.031 ,$$ R\left({\Lambda}_c^{+},p{K}_{S,L}^0{\pi}^{+}{\pi}^{-}\right)=-0.027\pm 0.048 $$ R Λ c + p K S , L 0 π + π − = − 0.027 ± 0.048 and$$ R\left({\Lambda}_c^{+},p{K}_{S,L}^0{\pi}^0\right)=-0.015\pm 0.046 $$ R Λ c + p K S , L 0 π 0 = − 0.015 ± 0.046 . No significant asymmetries with statistical significance are observed.

Physics↗
DOE OSTI2021

Dark moments for the Standard Model?

If dark matter (DM) interacts with the Standard Model (SM) via the kinetic mixing (KM) portal, it necessitates the existence of portal matter (PM) particles which carry both dark and SM quantum numbers that will appear in vacuum polarization-like loop graphs. In addition to the familiar ~ eϵQ strength, QED-like interaction for the dark photon (DP), in some setups different loop graphs of these PM states can also induce other coupling structures for the SM fermions that may come to dominate in at least some regions of parameter space regions and which can take the form of ‘dark’ moments, e.g., magnetic dipole-type interactions in the IR, associated with a large mass scale, Λ. In this paper, motivated by a simple toy model, we perform a phenomenological investigation of a possible loop-induced dark magnetic dipole moment for SM fermions, in particular, for the electron. We show that at the phenomenological level such a scenario can not only be made compatible with existing experimental constraints for a significant range of correlated values for Λ and the dark U(1) D gauge coupling, g D , but can also lead to quantitatively different signatures once the DP is discovered. In this setup, assuming complex scalar DM to satisfy CMB constraints, parameter space regions where the DP decays invisibly are found to be somewhat preferred if PM mass limits from direct searches at the LHC and our toy model setup are all taken seriously. High precision searches for, or measurements of, the e + e - → γ + DP process at Belle II are shown to provide some of the strongest future constraints on this scenario.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of the effective leptonic weak mixing angle

Using pp collision data at $\sqrt{s}$ = 13 TeV, recorded by the LHCb experiment between 2016 and 2018 and corresponding to an integrated luminosity of 5.4 fb −1 , the forward-backward asymmetry in the pp → Z/γ* → μ + μ − process is measured. The measurement is carried out in ten intervals of the difference between the muon pseudorapidities, within a fiducial region covering dimuon masses between 66 and 116 GeV, muon pseudorapidities between 2.0 and 4.5 and muon transverse momenta above 20 GeV. These forward-backward asymmetries are compared with predictions, at next-to-leading order in the strong and electroweak couplings. The measured effective leptonic weak mixing angle is ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }=0.23147\pm 0.00044\pm 0.00005\pm 0.00023,$ where the first uncertainty is statistical, the second arises from systematic uncertainties associated with the asymmetry measurement, and the third arises from uncertainties in the fit model used to extract ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }$ from the asymmetry measurement. This result is based on an arithmetic average of results using the CT18, MSHT20, and NNPDF31 parameterisations of the proton internal structure, and is consistent with previous measurements and with predictions from the global electroweak fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

The Impact of Sorbent Amendments for Mercury Remediation on the Viability of Soil Microorganisms

Mercury (Hg) remediation across contaminated environments in the United States is an ongoing project. As part of the Hg cleanup strategy at East Fork Poplar Creek (EFPC), located in Oak Ridge, TN, the deployment of sorbents is considered. However, the impact of sorbents on soil microorganisms is poorly understood. In this study, we investigated the effect of sorbents on soil microorganism viability and biofilm formation to assess soil health during sorbent application for Hg remediation. We specifically investigated the effect of two engineered sorbents, Organoclay PM-199 and Organoclay MRM (which are manufactured from clay minerals formulated for various remediation applications), on two gram-negative organisms ( Serratia marcescens and Burkholderia thailandensis ) isolated from the Hg-contaminated EFPC bank soil. Pure cultures of S. marcescens or B. thailandensis were amended with 5% (w/v) and 25% (w/v) PM-199 and MRM, respectively, for 9 days. The samples were harvested, and bacterial cell viability was determined using a BacLight staining kit. Results showed that the growth of sorbent-amended S. marcescens was inhibited in contrast to that of unamended control. Furthermore, biochemical assays were used to analyze bacterial biofilm formation and integral biofilm components. Our results suggest that biofilm formation by sorbent-amended S. marcescens was negatively affected. In contrast, B. thailandensis amended with low concentrations of MRM showed enhanced growth and notable differences in biofilm morphology. These results suggest that the use of organoclay PM-199 and MRM at higher concentrations in field studies may hinder the growth of specific soil microorganisms.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Bayesian modeling of traffic-related air pollutants: A case study of urban transportation and air quality dynamics in Columbia, South Carolina

Traffic emissions significantly impact near-road air quality and public health. This research applies a Bayesian modeling framework to investigate these impacts using high-resolution traffic and air pollutant data from an urban corridor in Columbia, South Carolina. Despite a data collection period truncated by the COVID-19 lockdown, the Bayesian approach successfully identified significant predictors and quantified model uncertainty. Employing Bayesian Model Selection and Averaging enhanced prediction accuracy and evaluated model uncertainty. Findings indicate that higher temperatures and increased moisture levels elevate particulate matter (PM 1.0 , PM 2.5 , PM 10 ) concentrations, while traffic speed significantly affects nitrogen dioxide (NO 2 ) levels. Specifically, higher average traffic speeds (indicative of smoother flow) correspond to lower NO 2 concentrations, suggesting that less congested conditions reduce NO 2 emissions. This study highlights the robustness of Bayesian methods for generating reliable air quality insights even under data-constrained conditions. The findings underscore the importance of traffic flow management (e.g., reducing congestion) for mitigating near-road NO 2 exposure and provide a basis for developing targeted public health strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

FlowPM: Distributed TensorFlow implementation of the FastPM cosmological N-body solver

Here, we present FlowPM, a Particle-Mesh (PM) cosmological N-body code implemented in Mesh-TensorFlow for GPU-accelerated, distributed, and differentiable simulations. We implement and validate the accuracy of a novel multi-grid scheme based on multiresolution pyramids to compute large-scale forces efficiently on distributed platforms. We explore the scaling of the simulation on large-scale supercomputers and compare it with corresponding Python based PM code, finding on an average 10x speed-up in terms of wallclock time. We also demonstrate how this novel tool can be used for efficiently solving large scale cosmological inference problems, in particular reconstruction of cosmological fields in a forward model Bayesian framework with hybrid PM and neural network forward model. We provide skeleton code for these examples and the entire code is publicly available at https://github.com/modichirag/flowpm[Formula presented].

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Biophysical analysis of the plant-specific GIPC sphingolipids reveals multiple modes of membrane regulation

The plant plasma membrane (PM) is an essential barrier between the cell and the external environment, controlling signal perception and transmission. It consists of an asymmetrical lipid bilayer made up of three different lipid classes: sphingolipids, sterols, and phospholipids. The glycosyl inositol phosphoryl ceramides (GIPCs), representing up to 40% of total sphingolipids, are assumed to be almost exclusively in the outer leaflet of the PM. However, their biological role and properties are poorly defined. In this study, we investigated the role of GIPCs in membrane organization. Because GIPCs are not commercially available, we developed a protocol to extract and isolate GIPC-enriched fractions from eudicots (cauliflower and tobacco) and monocots (leek and rice). Lipidomic analysis confirmed the presence of trihydroxylated long chain bases and 2-hydroxylated very long-chain fatty acids up to 26 carbon atoms. The glycan head groups of the GIPCs from monocots and dicots were analyzed by gas chromatograph-mass spectrometry, revealing different sugar moieties. Multiple biophysics tools, namely Langmuir monolayer, ζ-Potential, light scattering, neutron reflectivity, solid state 2H-NMR, and molecular modeling, were used to investigate the physical properties of the GIPCs, as well as their interaction with free and conjugated phytosterols. We showed that GIPCs increase the thickness and electronegativity of model membranes, interact differentially with the different phytosterols species, and regulate the gel-to-fluid phase transition during temperature variations. These results unveil the multiple roles played by GIPCs in the plant PM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Magnetoelastic properties of multiferroic hexagonal ErMnO 3

Here, the strength and dynamics of magnetoelastic coupling through the paramagnetic (PM) – antiferromagnetic (AFM) – ferrimagnetic (FIM) transitions in multiferroic hexagonal ErMnO 3 have been investigated by Resonant Ultrasound Spectroscopy. Elastic stiffening by up to 2% below the PM – AFM transition at 80 K arises from biquadratic coupling between strain and the magnetic order parameter with relaxation times longer than ~10 -6 s for the response of spins to changes in strain. In contrast with YMnO 3 , the PM – AFM transition in ErMnO 3 is accompanied by a peak in acoustic loss immediately below the Néel point which is interpreted in terms of strain relaxation accompanying ordering of spins of Er 3+ at 4b sites. Changes in the magnetic ordering scheme at the AFM – FIM transition near 3 K are accompanied by elastic softening of ~0.03 %. During poling of the low temperature ferrimagnetic structure round magnetic hysteresis loops, small changes in elastic stiffness which arise due to the contribution of piezomagnetic and/or piezoelectric moduli are detected. Contributions of piezoelectric moduli to acoustic resonance frequencies also permit changes in the configuration of ferroelectric domains to be detected in response both to cycling through this transition and to application of a magnetic field. A peak in acoustic loss in the vicinity of 250 K is attributed to strain-mediated pinning/freezing of some aspect of the domain microstructure with an activation energy of ~0.25–0.3 eV. A return to the original elastic properties on heating to temperatures above ~250 K is interpreted in terms of backswitching of domains to the configuration they had at the start. These observations confirm the existence of subtle variations in magnetoelastic coupling behaviour relating to both the magnetic order parameters and magnetic domain structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance of a triple-GEM detector with capacitive-sharing 3-coordinate (X–Y–U)-strip anode readout

The concept of capacitive-sharing readout, described in detail in a previous study, offers the possibility for the development of high-performance three-coordinates (X--Y--U)-strip readout for Micro Pattern Gaseous Detectors (MPGDs) using simple standard PCB fabrication techniques. Capacitive-sharing (X--Y--U)-strip readout allows simultaneous measurement of the Cartesian coordinates x and y of the position of the particles together with a third coordinate u along the diagonal axis in a single readout PCB. This provides a powerful tool to address multiple-hit ambiguity and enable pattern recognition capabilities in moderate particle flux environment of collider or fixed target experiments in high energy physics HEP) and nuclear physics (NP). We present in this paper the performance of a 10 cm × 10 cm triple-GEM detector with capacitive-sharing (X--Y--U)-strip anode readout. Spatial resolutions of the order of $\sigma_{x}^{res}$ = 71.6 $\pm$ 0.8 $\mu$m for X-strips, $\sigma_{y}^{res}$ = 56.2 $\pm$ 0.9 $\mu$m for Y-strips and $\sigma_{u}^{res}$ = 75.2 $\pm$ 0.9 $\mu$m for U-strips have been obtained at a beam test at Thomas Jefferson National Accelerator Facility (Jefferson Lab). Modifications of the readout design of future prototypes to improve the spatial resolution and challenges in scaling to large-area MPGDs are discussed.

(X-Y-U) strip↗
DOE OSTI2020

A measurement of the Higgs boson mass in the diphoton decay channel

A measurement of the mass of the Higgs boson in the diphoton decay channel is presented. This analysis is based on 35.9 fb$^{-1}$ of proton-proton collision data collected during the 2016 LHC running period, with the CMS detector at a center-of-mass energy of 13 TeV. A refined detector calibration and new analysis techniques have been used to improve the precision of this measurement. The Higgs boson mass is measured to be $m_\mathrm{H} =$ 125.78$\pm$0.26 GeV. This is combined with a measurement of $m_\mathrm{H}$ already performed in the H$\to$ZZ$\to$4$\ell$ decay channel using the same data set, giving $m_\mathrm{H} =$ 125.46$\pm$0.16 GeV. This result, when further combined with an earlier measurement of $m_\mathrm{H}$ using data collected in 2011 and 2012 with the CMS detector, gives a value for the Higgs boson mass of $m_\mathrm{H} =$ 125.38$\pm$0.14 GeV. This is currently the most precise measurement of the mass of the Higgs boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Analysis of alternative climate datasets and evapotranspiration methods for the Upper Mississippi River Basin using SWAT within HAWQS

This study reports the application of Soil andWater Assessment Tool (SWAT) within the Hydrologic andWater Quality System(HAWQS) on-line platform, for the UpperMississippi River Basin (UMRB). TheUMRB is an important ecosystem located in the north central U.S. that is experiencing a range of ecological stresses. Specifically, testing of SWAT was performed for: (1) Hargreaves (HG) and Penman-Monteith (PM) PET methods, and (2) Livneh, National Climatic Data Center (NCDC) and Parameter-elevation Regressions on Independent Slopes Model (PRISM) climate datasets. The Livneh-PM combination resulted in the highest average annual water yield of 380.6 mm versus the lowest estimated water yield of 193.9 mm for the Livneh-HG combination, in response to 23-year uncalibrated simulations. Higher annual ET and PET values were predicted with HG method versus the PM method for all three weather datasets in response to the uncalibrated simulations, due primarily to higher HG-based estimates during the growing season. Based on these results, it was found that the HG method is the preferred PET option for the UMRB. Initial calibration of SWAT was performed using the Livneh data and HGmethod for threeMississippi Rivermain stem gauge sites, which was followed by spatial validation at 10 other gauge sites located within the UMRB streamnetwork. Overall satisfactory results were found for the calibration and validation gauge sites, with the majority of R2 values ranging between 0.61 and 0.82, Nash- Sutcliffe modeling efficiency (NSE) values ranging between 0.50 and 0.79, and Kling-Gupta efficiency (KGE) values ranging between 0.61 and 0.84. The results of an additional experimental suite of six scenarios,which represented different combinations of climate data sets and calibrated parameters, revealed that suggested statistical criteria were again satisfied by the different scenario combinations. Overall, the PRISM data exhibited the strongest reliability for the UMRB.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

CO and H 2 adsorption on Au-Ni bimetallic surfaces: a combined experimental and DFT theoretical study

Au-Ni bimetallic thin films were grown on refractory metal substrates. CO and H 2 adsorption on Au-Ni bimetallic surfaces have been studied by a combination of in situ polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), temperature-programmed desorption (TPD), and density functional theory (DFT) calculations. It is found CO desorption peak shifts from 413 K on pure Ni surfaces to 293 K on the isolated Ni atoms formed by alloying with Au atoms. The sharp decrease of CO desorption temperature on Au-Ni surfaces with increasing Au coverage is caused by the change of the favored CO adsorption sites from bridge/hollow sites on pure Ni surfaces to Ni top sites on Au-Ni bimetallic surfaces. In situ PM-IRRAS shows two CO adsorption bands on Au sites at 2119 cm −1 and 2103 cm −1 on Au-Ni surfaces at 80 K, which are due to CO bound on under-coordinated Au atoms and electron negatively charged Au sites modified with nearby Ni atoms, respectively. Even with the Au-Ni surface temperature at as low as 100 K, CO adsorption induced Ni surface segregation has been observed by in situ PM-IRRAS. Furthermore, DFT calculation results discover the adsorption energy of CO on Ni top sites continues to decrease with increasing Au coverage due to the geometric ensemble effect and the lowered d-band center after Ni alloying with Au. H 2 desorption temperature decreases from 363 K on pure Ni thin films to 302 K with increasing Au coverage to 0.6 ML. A new H 2 peak appears at around 170 K on the Au-Ni surfaces with Au coverages between 0.6 ML and 0.9 ML. This new H 2 TPD peak is assigned to H 2 desorption from the totally isolated Ni sites. With Au coverage above 1.5 ML, there is no any H 2 desorption detected. Finally, the combined surface science studies and DFT calculations provide new insights into the surface structure-activity correlation of Ni-base bimetallic surface alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗