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DOE OSTI2020

Real-Time Distributed Control of Smart Inverters for Network-level Optimization

The limitations of centralized optimization methods in managing electric power distribution systems operations have led to the distributed paradigm of computing and decision-making. Unfortunately, the existing distributed optimization algorithms are limited in their applicability to managing fast varying phenomena such as those resulting from highly variable Distributed Energy Resource (DER) generation patterns. They require a large number of communication rounds (in the order of 10 2 to 10 3 ) among the computing agents to solve one instance of the optimization problem. Related real-time distributed control methods are equally limited in their applications to power distribution systems with fast-changing DER generation; they require hundreds of rounds of communication and thus are slow in tracking the network-level optimal solutions. In this paper, we propose a novel distributed voltage controller that provides a fast-tracking of rapidly varying DER generation profiles while simultaneously converging to network-level optimal solutions within a few communication rounds. The proposed control algorithm leverages the radial topology of the system, which reduces the required communication rounds to reach the network-level optimum solution by order of magnitude. The novelty lies in carefully reducing the electrical network model from the perspective of each distributed controller and enabling appropriate data sharing among upstream and downstream nodes to achieve fast convergence. The simulation results demonstrate the effectiveness of the proposed approach in minimizing the feeder losses while maintaining the node voltage within the pre-specified limits.

voltage control, optimization, reactive power, inv↗

DOE OSTI2020

Strong temporal variability in methane fluxes from natural gas well pad soils

We measured methane and carbon dioxide fluxes at natural gas well pad soils and undisturbed soils in the Rocky Mountain and Gulf Coast regions of the United States, including producing and gas storage wells. We collected both short-term (15 min) and multi-day (between 3 and 8), continuous measurements at 47 well pads and two undisturbed locations. Methane fluxes varied by more than an order of magnitude over periods as short as 30 min (e.g., 19–593 mg m -2 h -1 in one instance), and diurnal and seasonal variability was also significant (e.g., spring-to-fall change from 509 to 14174 mg m -2 h -1 ). We hypothesize that short-term flux variability was caused by pulsed flow of methane during its migration through the subsurface. Barometric pressure and well conditions likely impacted fluxes, but we found only weak evidence for this. Bacterial methanotrophy appeared to impact methane flux magnitude and variability. We injected methane into the subsurface at one well, and we found that, while fluxes of methane and carbon dioxide, and combustible soil gas concentrations, increased in response to the injection, the response was not uniform, and fluxes exhibited high hourly-scale variability, in spite of a constant injection rate. Methane fluxes tended to be higher at well pad soils compared to background soils (often much higher), and fluxes tended to be higher at well pad locations closer to the well head.

03 NATURAL GAS↗

DOE OSTI2020

Projected changes in the terrestrial and oceanic regulators of climate variability across sub-Saharan Africa

Future changes in the sign and intensity of ocean–land–atmosphere interactions have been insufficiently studied, despite implications for regional climate change projections, extreme event statistics, and seasonal climate predictability. In response to this deficiency, the present study focuses on projected responses to the enhanced greenhouse effect in: (1) the mean state of the atmosphere and land surface; (2) oceanic and terrestrial drivers of sub-Saharan climate variability; and (3) total seasonal climate predictability of sub-Saharan Africa, a region known for its pronounced land–atmosphere coupling. Analysis focuses on output from 23 Earth System Models in the Coupled Model Intercomparison Project Phase Five for the late twentieth and twenty-first centuries. It is projected that the greatest warming across sub-Saharan Africa will occur over the Sahel, the monsoon season will become more persistent into late summer and autumn, short rains in the Horn of Africa (HOA) will intensify, and leaf area index will increase across the HOA. Stepwise Generalized Equilibrium Feedback Assessment, i.e. a multivariate statistical approach, is applied to the model output over sub-Saharan Africa in order to explore the oceanic and terrestrial drivers of regional climate. The models indicate that the study region’s climate variability is dominated by oceanic drivers, with secondary contributions from soil moisture and very modest impacts from vegetation. Overall, the general model consensus of future projections indicates a concerning diminished seasonal predictability of sub-Saharan African regional climate based on key oceanic and terrestrial predictors and an elevated role of the land surface (associated with soil moisture anomalies) compared to oceanic drivers in regulating regional climate variability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Grassmann phase space theory and the Jaynes–Cummings model

The Jaynes–Cummings model of a two-level atom in a single mode cavity is of fundamental importance both in quantum optics and in quantum physics generally, involving the interaction of two simple quantum systems—one fermionic system (the TLA), the other bosonic (the cavity mode). Depending on the initial conditions a variety of interesting effects occur, ranging from ongoing oscillations of the atomic population difference at the Rabi frequency when the atom is excited and the cavity is in an n-photon Fock state, to collapses and revivals of these oscillations starting with the atom unexcited and the cavity mode in a coherent state. The observation of revivals for Rydberg atoms in a high-Q microwave cavity is key experimental evidence for quantisation of the EM field. Theoretical treatments of the Jaynes–Cummings model based on expanding the state vector in terms of products of atomic and n-photon states and deriving coupled equations for the amplitudes are a well-known and simple method for determining the effects. In quantum optics however, the behaviour of the bosonic quantum EM field is often treated using phase space methods, where the bosonic mode annihilation and creation operators are represented by c-number phase space variables, with the density operator represented by a distribution function of these variables. Fokker–Planck equations for the distribution function are obtained, and either used directly to determine quantities of experimental interest or used to develop c-number Langevin equations for stochastic versions of the phase space variables from which experimental quantities are obtained as stochastic averages. Phase space methods have also been developed to include atomic systems, with the atomic spin operators being represented by c-number phase space variables, and distribution functions involving these variables and those for any bosonic modes being shown to satisfy Fokker–Planck equations from which c-number Langevin equations are often developed. However, atomic spin operators satisfy the standard angular momentum commutation rules rather than the commutation rules for bosonic annihilation and creation operators, and are in fact second order combinations of fermionic annihilation and creation operators. Though phase space methods in which the fermionic operators are represented directly by c-number phase space variables have not been successful, the anti-commutation rules for these operators suggest the possibility of using Grassmann variables—which have similar anti-commutation properties. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of phase space methods in quantum optics to treat fermionic systems by representing fermionic annihilation and creation operators directly by Grassmann phase space variables is rather rare. This paper shows that phase space methods using a positive P type distribution function involving both c-number variables (for the cavity mode) and Grassmann variables (for the TLA) can be used to treat the Jaynes–Cummings model. Although it is a Grassmann function, the distribution function is equivalent to six c-number functions of the two bosonic variables. Experimental quantities are given as bosonic phase space integrals involving the six functions. A Fokker–Planck equation involving both left and right Grassmann differentiations can be obtained for the distribution function, and is equivalent to six coupled equations for the six c-number functions. The approach used involves choosing the canonical form of the (non-unique) positive P distribution function, in which the correspondence rules for the bosonic operators are non-standard and hence the Fokker–Planck equation is also unusual. Initial conditions, such as those above for initially uncorrelated states, are discussed and used to determine the initial distribution function. Transformations to new bosonic variables rotating at the cavity frequency enable the six coupled equations for the new c-number functions–that are also equivalent to the canonical Grassmann distribution function–to be solved analytically, based on an ansatz from an earlier paper by Stenholm. It is then shown that the distribution function is exactly the same as that determined from the well-known solution based on coupled amplitude equations. In quantum–atom optics theories for many atom bosonic and fermionic systems are needed. With large atom numbers, treatments must often take into account many quantum modes—especially for fermions. Generalisations of phase space distribution functions of phase space variables for a few modes to phase space distribution functionals of field functions (which represent the field operators, c-number fields for bosons, Grassmann fields for fermions) are now being developed for large systems. For the fermionic case, the treatment of the simple two mode problem represented by the Jaynes–Cummings model is a useful test case for the future development of phase space Grassmann distribution functional methods for fermionic applications in quantum–atom optics. -- Highlights: •Novel phase space theory of the Jaynes–Cummings model using Grassmann variables. •Fokker–Planck equations solved analytically. •Results agree with the standard quantum optics treatment. •Grassmann phase space theory applicable to fermion many-body problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

An Analysis of PNM's Renewable Reserve Requirements to Meet New Mexico's Decarbonization Goals

Over the next three years, the Public Service Company of New Mexico (PNM) plans to increase utility-scale solar photovoltaic (PV) capacity from today’s roughly 330MW to about 1600MW. This massive increase in variable generation—from about 15% to 75% of peak load—will require changes in how PNM operates their system. We characterize the 5 and 30-minute solar and wind forecast errors that the system is likely to experience in order to determine the level of reserves needed to counteract such events. Our focus in this study is on negative forecast error (in other words, shortfalls relative to forecast) – whereas excess variable generation can be curtailed if needed, a shortfall must be compensated for to avoid loss of load. Calculating forecast error requires the use of the same forecasting methods that PNM uses or a reasonable approximation thereof. For wind, we use a persistence forecast on actual 5-minute 2019 wind output data (scaled up to reflect the amount of wind capacity planned for 2025). For solar, we use a formula incorporating the clear sky index (CSI) for the forecast. As the solar on the grid now is a small fraction of what is planned for 2025, we generated 5-minute solar data using 2019 weather inputs. We find that to handle 99.9% of the 5-minute negative forecast errors, a maximum of 275MW of variable generation reserve during daylight hours, and a maximum of 75MW during non-daylight hours, should be sufficient. Note that this variable generation reserve is an additional reserve category that specifies reserves over and above what are currently carried for contingency reserve. This would require a significant increase in reserve relative to what PNM currently carries or can call upon from other utilities per reserve sharing agreements. This variable generation reserve specification may overestimate the actual level needed to deal with PNM’s planned variable generation in 2025. The forecasting methodologies used in this study likely underperform PNM’s forecasting – and better forecasting allows for less reserve. To obtain more precise estimates, it is necessary to consider load and use the same forecasting inputs and methods used by PNM.

14 SOLAR ENERGY↗

DOE OSTI2022

Spatial heterogeneity effects on land surface modeling of water and energy partitioning

Abstract. Understanding the influence of land surface heterogeneity on surface water and energy fluxes is crucial for modeling earth system variability and change. This study investigates the effects of four dominant heterogeneity sources on land surface modeling, including atmospheric forcing (ATM), soil properties (SOIL), land use and land cover (LULC), and topography (TOPO). Our analysis focused on their impacts on the partitioning of precipitation (P) into evapotranspiration (ET) and runoff (R), partitioning of net radiation into sensible heat and latent heat, and corresponding water and energy fluxes. An initial set of 16 experiments were performed over the continental US (CONUS) using the E3SM land model (ELMv1) with different combinations of heterogeneous and homogeneous datasets. The Sobol' total and first-order sensitivity indices were utilized to quantify the relative importance of the four heterogeneity sources. Sobol' total sensitivity index measures the total heterogeneity effects induced by a given heterogeneity source, consisting of the contribution from its own heterogeneity (i.e., the first-order index) and its interactions with other heterogeneity sources. ATM and LULC are the most dominant heterogeneity sources in determining spatial variability of water and energy partitioning, mainly contributed by their own heterogeneity and slightly contributed by their interactions with other heterogeneity sources. Their heterogeneity effects are complementary, both spatially and temporally. The overall impacts of SOIL and TOPO are negligible, except TOPO dominates the spatial variability of R/P across the transitional climate zone between the arid western and humid eastern CONUS. Accounting for more heterogeneity sources improves the simulated spatial variability of water and energy fluxes when compared with ERA5-Land reanalysis dataset. An additional set of 13 experiments identified the most critical components within each heterogeneity source, which are precipitation, temperature, and longwave radiation for ATM, soil texture, and soil color for SOIL and maximum fractional saturated area parameter for TOPO.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Examining AGN UV/Optical Variability beyond the Simple Damped Random Walk

We present damped harmonic oscillator (DHO) light-curve modeling for a sample of 12,714 spectroscopically confirmed quasars in the Sloan Digital Sky Survey Stripe 82 region. DHO is a second-order continuous-time autoregressive moving-average process, which can be fully described using four independent parameters: a natural oscillation frequency (ω 0 ), a damping ratio (ξ), a characteristic perturbation timescale (τ perturb ), and an amplitude for the perturbing white noise (σ ϵ ). The asymptotic variability amplitude of a DHO process is quantified by σ DHO —a function of ω 0 , ξ, τ perturb , and σ ϵ . We find that both τ perturb and σ ϵ follow different dependencies with rest-frame wavelength (λ RF ) on either side of 2500 Å, whereas σ DHO follows a single power-law relation with λ RF . After correcting for wavelength dependence, σ DHO exhibits anticorrelations with both the Eddington ratio and the black hole mass, while τ perturb —with a typical value of days in the rest frame—shows an anticorrelation with the bolometric luminosity. Modeling active galactic nuclei (AGN) variability as a DHO offers more insight into the workings of accretion disks close to the supermassive black holes at the center of AGN. The newly discovered short-term variability (characterized by τ perturb and σ ϵ ) and its correlation with bolometric luminosity pave the way for new algorithms that will derive fundamental properties (e.g., Eddington ratio) of AGN using photometric data alone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride

Controlling the heterolytic cleavage of the H-H bond of dihydrogen is critically important in catalytic hydrogenations and in the catalytic oxidation of H2. We show how the rate of reversible heterolytic cleavage of H2 can be controlled over nearly four orders of magnitude at 25 °C, from 2.1 × 103 s-1 to ≥107 s-1. Bifunctional Mo complexes, [CpMo(CO)(κ3-P2N2)]+ (P2N2 = 1,5-diaza-3,7-diphosphacyclooctane with alkyl/aryl groups on N and P), have been developed for heterolytic cleavage of H2 into a proton and a hydride, akin to Frustrated Lewis Pairs. The H-H bond cleavage is enabled by the basic amine in the second coordination sphere. The products of heterolytic cleavage of H2, Mo hydride complexes bearing protonated amines, [CpMo(H)(CO)(P2N2H)]+, were characterized by spectroscopic studies and by X-ray crystallography. Variable temperature 1H, 15N and 2-D 1H-1H ROESY NMR spectra indicated rapid exchange of the proton and hydride. The exchange rates are in the order [CpMo(H)(CO)(PPh2NPh2H)]+ > [CpMo(H)(CO)(PtBu2NPh2H)]+ > [CpMo(H)(CO)(PPh2NBn2H)]+ > [CpMo(H)(CO)(PtBu2NBn2H)]+ > [CpMo(H)(CO)(PtBu2NtBu2H)]+. The pKa values determined in acetonitrile range from 9.3 to 17.7, and show a linear correlation with the logarithm of the exchange rates. Thus the exchange dynamics are controlled through the relative acidity of the [CpMo(H)(CO)(P2N2H)]+ and [CpMo(H2)(CO)(P2N2)]+ isomers, providing a design principle for controlling heterolytic cleavage of H2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Toggling Stereochemical Activity through Interstitial Positioning of Cations between 2D V 2 O 5 Double Layers

The 5/6s 2 lone-pair electrons of p-block cations in their lower oxidation states are a versatile electronic and geometric structure motif that can underpin lattice anharmonicity and often engender electronic and structural instabilities that underpin the function of active elements in nonlinear optics, thermochromics, thermoelectrics, neuromorphic computing, and photocatalysis. In contrast to periodic solids where lone-pair-bearing cations are part of the structural framework, installing lone-pair-bearing cations in the interstitial sites of intercalation hosts provides a means of a systematically modulating electronic structure through the choice of the group and the period of the inserted cation while preserving the overall framework connectivity. The extent of stereochemical activity and the energy positioning of lone-pair-derived mid-gap states depend on the cation identity, stoichiometry, and strength of anion hybridization. V 2 O 5 polymorphs are versatile insertion hosts that can accommodate a broad range of s-, p-, and d-block cations. However, the insertion of lone-pair-bearing cations remains largely underexplored. In this article, we examine the implications of varying the 6s 2 cations situated in interlayer sites between condensed [V 4 O 10 ] n double layers. Systematic modulations of lattice distortions, electronic structure, and magnetic ordering are observed with increasing strength of stereochemical activity from group 12 to group 14 cations. We compare and contrast p-block-layered M x V 2 O 5 (M = Hg, Tl, and Pb) compounds and map the significance of local off-centering arising from the stereochemical activity of lone-pair cations to the emergence of filled antibonding lone-pair 6s 2 –O 2p-hybridized mid-gap states mediated by second-order Jahn–Teller distortions. Crystallographic studies of cation coordination environments and the resulting modulation of V–V interactions have been used in conjunction with variable-energy hard X-ray photoelectron spectroscopy measurements, first-principles electronic structure calculations, and crystal orbital Hamilton population analyses to decipher the origins of stereochemical activity. Magnetic susceptibility measurements reveal antiferromagnetic signatures for all the three compounds. However, the differences in V–V interactions significantly affect the energy balance of the superexchange interactions, resulting in an ordering temperature of 160 and 260 K for Hg 0.5 V 2 O 5 and δ-Tl 0.5 V 2 O 5 , respectively, as compared to 7 K for δ-Pb 0.5 V 2 O 5 . In δ-Pb 0.5 V 2 O 5 , the strong stereochemical activity of electron lone pairs and the resulting electrostatic repulsions enforce superlattice ordering, which strongly modifies the electronic localization patterns along the [V 4 O 10 ] slabs, resulting in disrupted magnetic ordering and an anomalously low ordering temperature. The results demonstrate a versatile strategy for toggling the stereochemical activity of electron lone pairs to modify the electronic structure near the Fermi level and to mediate superexchange interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Obstacles to quantum annealing in a planar embedding of XORSAT

We introduce a planar embedding of the k-regular k-XORSAT problem, in which solutions are encoded in the ground state of a classical statistical mechanics model of reversible logic gates arranged on a square grid and acting on bits that represent the Boolean variables of the problem. The special feature of this embedding is that the resulting model lacks a finite-temperature phase transition, thus bypassing the first-order thermodynamic transition known to occur in the random graph representation of XORSAT. In spite of this attractive feature, the thermal relaxation into the ground state displays remarkably slow glassy behavior. The question addressed in this paper is whether this planar embedding can afford an efficient path to solution of k-regular k-XORSAT via quantum adiabatic annealing. We first show that our model bypasses an avoided level crossing and consequent exponentially small gap in the limit of small transverse fields. We then present quantum Monte Carlo results for our embedding of the k-regular k-XORSAT that strongly support a picture in which second-order and first-order transitions develop at a finite transverse field for k = 2 and k = 3, respectively. Furthermore, this translates into power-law and exponential dependences in the scaling of energy gaps with system size, corresponding to times-to-solution which are, respectively, polynomial and exponential in the number of variables. We conclude that neither classical nor quantum annealing can efficiently solve our reformulation of XORSAT, even though the original problem can be solved in polynomial time by Gaussian elimination.

2-dimensional systems↗

DOE OSTI2024

The rate of extreme coronal line emitting galaxies in the Sloan Digital Sky Survey and their relation to tidal disruption events

High-ionization iron coronal lines (CLs) are a rare phenomenon observed in galaxy and quasi-stellar object spectra that are thought to be created by high-energy emission from active galactic nuclei and certain types of transients. In cases known as extreme coronal line emitting galaxies (ECLEs), these CLs are strong and fade away on a time-scale of years. The most likely progenitors of these variable CLs are tidal disruption events (TDEs), which produce sufficient high-energy emission to create and sustain the CLs over these time-scales. To test the possible connection between ECLEs and TDEs, we present the most complete variable ECLE rate calculation to date and compare the results to TDE rates from the literature. To achieve this, we search for ECLEs in the Sloan Digital Sky Survey (SDSS). We detect sufficiently strong CLs in 16 galaxies, more than doubling the number previously found in SDSS. Using follow-up spectra from the Dark Energy Spectroscopic Instrument and Gemini Multi-Object Spectrograph, Wide-field Infrared Survey Explorer mid-infrared observations, and Liverpool Telescope optical photometry, we find that none of the nine new ECLEs evolve in a manner consistent with that of the five previously discovered variable ECLEs. Using this sample of five variable ECLEs, we calculate the galaxy-normalized rate of variable ECLEs in SDSS to be $R_\mathrm{G}=3.6~^{+2.6}_{-1.8}~(\mathrm{statistical})~^{+5.1}_{-0.0}~(\mathrm{systematic})\times 10^{-6}~\mathrm{galaxy}^{-1}~\mathrm{yr}^{-1}$. The mass-normalized rate is $R_\mathrm{M}=3.1~^{+2.3}_{-1.5}~(\mathrm{statistical})~^{+4.4}_{-0.0}~(\mathrm{systematic})\times 10^{-17}~\mathrm{M_\odot ^{-1}}~\mathrm{yr}^{-1}$ and the volumetric rate is $R_\mathrm{V}=7~^{+20}_{-5}~(\mathrm{statistical})~^{+10}_{-0.0}~(\mathrm{systematic})\times 10^{-9}~\mathrm{Mpc}^{-3}~\mathrm{yr}^{-1}$. Our rates are one to two orders of magnitude lower than TDE rates from the literature, which suggests that only 10–40 per cent of all TDEs produce variable ECLEs. Additional uncertainties in the rates arising from the structure of the interstellar medium have yet to be included.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Variable hard-X-ray emission from the candidate accreting black hole in dwarf galaxy Henize 2–10

We present an analysis of the X-ray spectrum and long-term variability of the nearby dwarf starburst galaxy Henize 2–10. Recent observations suggest that this galaxy hosts an actively accreting black hole (BH) with mass ∼10{sup 6} M{sub ⊙}. The presence of an active galactic nucleus (AGN) in a low-mass starburst galaxy marks a new environment for AGNs, with implications for the processes by which “seed” BHs may form in the early universe. In this paper, we analyze four epochs of X-ray observations of Henize 2–10, to characterize the long-term behavior of its hard nuclear emission. We analyze observations with Chandra from 2001 and XMM-Newton from 2004 and 2011, as well as an earlier, less sensitive observation with ASCA from 1997. Based on a detailed analysis of the source and background, we find that the hard (2–10 keV) flux of the putative AGN has decreased by approximately an order of magnitude between the 2001 Chandra observation and exposures with XMM-Newton in 2004 and 2011. The observed variability confirms that the emission is due to a single source. It is unlikely that the variable flux is due to a supernova or ultraluminous X-ray source, based on the observed long-term behavior of the X-ray and radio emission, while the observed X-ray variability is consistent with the behavior of well-studied AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

A high-order vertex-based central ENO finite-volume scheme for three-dimensional compressible flows

High-order discretization methods offer the potential to reduce the computational cost associated with modeling compressible flows. However, it is difficult to obtain accurate high-order discretizations of conservation laws that do not produce spurious oscillations near discontinuities, especially on multi-dimensional unstructured meshes. A novel, high-order, central essentially non-oscillatory (CENO) finite-volume method that does not have these difficulties is proposed for tetrahedral meshes. The proposed unstructured method is vertex-based, which differs from existing cell-based CENO formulations, and uses a hybrid reconstruction procedure that switches between two different solution representations. It applies a high-order k-exact reconstruction in smooth regions and a limited linear reconstruction when discontinuities are encountered. Both reconstructions use a single, central stencil for all variables, making the application of CENO to arbitrary unstructured meshes relatively straightforward. The new approach was applied to the conservation equations governing compressible flows and assessed in terms of accuracy and computational cost. For all problems considered, which included various function reconstructions and idealized flows, CENO demonstrated excellent reliability and robustness. Up to fifth-order accuracy was achieved in smooth regions and essentially non-oscillatory solutions were obtained near discontinuities. The high-order schemes were also more computationally efficient for high-accuracy solutions, i.e., they took less wall time than the lower-order schemes to achieve a desired level of error. In one particular case, it took a factor of 24 less wall-time to obtain a given level of error with the fourth-order CENO scheme than to obtain the same error with the second-order scheme.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

A Computationally Efficient Linear Semi-Lagrangian Scheme for the Advection of Microphysical Variables in Cloud-Resolving Models

An efficient semi-Lagrangian (SL) numerical scheme for the advection of positive-definite microphysical variables in cloud-resolving models is proposed. The scheme is a linear combination of SL schemes of the first and second order. The proposed scheme is compared with two high-order, monotonic, nonlinear Eulerian schemes, in two 2D tests. In the first test, advection of a positive scalar field with large gradients is performed within complicated idealized steering flows. In the second test, a hail storm is simulated using the 2D Hebrew University Cloud Model, describing the interactions between 15 size distributions of different microphysical quantities (each distribution is described by 43 mass bins). The proposed scheme is computationally efficient, has a low numerical diffusion and a high level of mass conservation accuracy, and preserves the sum of multiple advected variables as well as the linear relationships between the advected scalar variables. Although the proposed SL scheme is not exactly positive definite, the negative values and their number, which may appear only in the case of very strong gradients, are negligible. The scheme produces results similar to those of nonlinear Eulerian advection schemes while reducing computation time by approximately a factor of 10.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling

Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.

Engineering↗

DOE OSTI2019

The Tropical Atlantic Observing System

The tropical Atlantic is home to multiple coupled climate variations covering a wide range of timescales and impacting societally relevant phenomena such as continental rainfall, Atlantic hurricane activity, oceanic biological productivity, and atmospheric circulation in the equatorial Pacific. The tropical Atlantic also connects the southern and northern branches of the Atlantic meridional overturning circulation and receives freshwater input from some of the world's largest rivers. To address these diverse, unique, and interconnected research challenges, a rich network of ocean observations has developed, building on the backbone of the Prediction and Research Moored Array in the Tropical Atlantic (PIRATA). This network has evolved naturally over time and out of necessity in order to address the most important outstanding scientific questions and to improve predictions of tropical Atlantic severe weather and global climate variability and change. The tropical Atlantic observing system is motivated by goals to understand and better predict phenomena such as tropical Atlantic interannual to decadal variability and climate change; multidecadal variability and its links to the meridional overturning circulation; air-sea fluxes of CO 2 and their implications for the fate of anthropogenic CO 2 ; the Amazon River plume and its interactions with biogeochemistry, vertical mixing, and hurricanes; the highly productive eastern boundary and equatorial upwelling systems; and oceanic oxygen minimum zones, their impacts on biogeochemical cycles and marine ecosystems, and their feedbacks to climate. Past success of the tropical Atlantic observing system is the result of an international commitment to sustained observations and scientific cooperation, a willingness to evolve with changing research and monitoring needs, and a desire to share data openly with the scientific community and operational centers. The observing system must continue to evolve in order to meet an expanding set of research priorities and operational challenges. This paper discusses the tropical Atlantic observing system, including emerging scientific questions that demand sustained ocean observations, the potential for further integration of the observing system, and the requirements for sustaining and enhancing the tropical Atlantic observing system.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Analytic amplitudes for a pair of Higgs bosons in association with three partons

The pair production of Higgs bosons at the LHC can give information about the triple Higgs boson coupling. We perform an analytic one-loop calculation of the amplitudes for a pair of Higgs bosons in association with three partons, retaining the exact dependence on the quark mass circulating in the loop. These amplitudes constitute the real radiation corrections in the calculation of Higgs boson pair production at next-to-leading order in the strong coupling. The results of an analytic generalised-unitarity computation are simplified via analytic reconstruction in spinor variables. Compact ansätze for kinematic pole residues are iteratively fitted via p-adic evaluations near said poles and subtracted until no pole remains. A new ansatz construction is introduced to minimally parametrise coefficients of amplitudes with multiple massive external legs. The simplified expressions are faster to evaluate than automatic codes and can lead to more stable results near singular regions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Measurement of total and differential W + W - production cross sections in proton-proton collisions at √s=8 TeV with the ATLAS detector and limits on anomalous triple-gauge-boson couplings

The production of W boson pairs in proton-proton collisions at √s=8 TeV is studied using data corresponding to 20.3 fb -1 of integrated luminosity collected by the ATLAS detector during 2012 at the CERN Large Hadron Collider. The W bosons are reconstructed using their leptonic decays into electrons or muons and neutrinos. Events with reconstructed jets are not included in the candidate event sample. A total of 6636 WW candidate events are observed. Measurements are performed in fiducial regions closely approximating the detector acceptance. The integrated measurement is corrected for all acceptance effects and for the W branching fractions to leptons in order to obtain the total WW production cross section, which is found to be 71.1 ± 1.1(stat) -5.0+5.7(syst)±1.4(lumi) pb. This agrees with the next-to-next-to-leading-order Standard Model prediction of 63.2-1.4+1.6(scale)±1.2(PDF) pb. Fiducial differential cross sections are measured as a function of each of six kinematic variables. The distribution of the transverse momentum of the leading lepton is used to set limits on anomalous triple-gauge-boson couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗