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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Novel Solver Algorithms for Nearly Singular Linear Systems Arising in Combustion Modelling

Direct Numerical Simulations of realistic combustion devices are extremely challenging due to the wide separation of scales in the simulation, for example an internal combustion (IC) engine chamber, and the flame thickness of a high-pressure flame. The PeleLMeX solver uses adaptive mesh refinement (AMR) to evolve multi-species reacting flows in the low Mach number limit at the Exascale and relies on an embedded boundary (EB) approach to represent complex geometries. In that framework, the EB geometries often give rise to very small cut-cells along the boundary, which translate into extreme ill-conditioning of the pressure-projection, with eigenvalues that span 15-16 orders of magnitude. In this talk, we focus on the case of a typical IC piston bowl geometry for which we present on a novel approach towards solving these nearly singular linear systems with ILU-based, C-AMG smoothers on massively parallel architectures. In particular, we use scaling and equilibration algorithms to handle the non-normality of the upper triangular factors. This enables us to approximate the highly sequential triangular solve algorithm, embedded in the AMG smoothing-solve phase, with Jacobi iterations. This approximation can be written as a convergent Neumann series whose terms are composed of highly parallel sparse matrix vector multiplications. The result is an algorithm that substantially decreases setup and solve time, compared to state-of-the-art, for these challenging linear systems.

combustion modelling↗
DOE OSTI2020

Inverse energy transfer in decaying, three-dimensional, non-helical magnetic turbulence due to magnetic reconnection

ABSTRACT It has been recently shown numerically that there exists an inverse transfer of magnetic energy in decaying, non-helical, magnetically dominated, magnetohydrodynamic turbulence in three dimensions (3D). We suggest that magnetic reconnection is the underlying physical mechanism responsible for this inverse transfer. In the two-dimensional (2D) case, the inverse transfer is easily inferred to be due to smaller magnetic islands merging to form larger ones via reconnection. We find that the scaling behaviour is similar between the 2D and 3D cases, i.e. the magnetic energy evolves as t−1, and the magnetic power spectrum follows a slope of k−2. We show that on normalizing time by the magnetic reconnection time-scale, the evolution curves of the magnetic field in systems with different Lundquist numbers collapse on to one another. Furthermore, transfer function plots show signatures of magnetic reconnection driving the inverse transfer. We also discuss the conserved quantities in the system and show that the behaviour of these quantities is similar between the 2D and 3D simulations, thus making the case that the dynamics in 3D could be approximately explained by what we understand in 2D. Lastly, we also conduct simulations where the magnetic field is subdominant to the flow. Here, too, we find an inverse transfer of magnetic energy in 3D. In these simulations, the magnetic energy evolves as t−1.4 and, interestingly, a dynamo effect is observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Exceedance Response Action (ERA) Level 2 Technical Report Update

The Sandia National Laboratories, California (SNL/CA) site comprises approximately 410 acres and is located in the eastern portion of Livermore, Alameda County, California. The property is owned by the United States Department of Energy/National Nuclear Security Administration (DOE/NNSA) and is being managed and operated by National Technology & Engineering Solutions of Sandia, LLC (NTESS). Operations at the SNL/CA facility consist of DOE statutory responsibilities for nuclear weapon research and design, development of energy technologies, and basic scientific research. Specific industrial activities occur in discrete buildings and include electroplating or anodizing, machine shop, permitted hazardous waste treatment, storage and disposal facility (TSDF), and a scrap yard. This report provides an update to the ERA Level 2 Technical Report Update previously submitted in June 2022 (2022 ERA L2 Technical Report Update) for iron, aluminum, and pH. In accordance with the California’s General Permit for Discharges of Storm Water Associated with Industrial Activities (IGP) Section XII.D.3.c, an ERA Level 2 Technical Report update is to be submitted with the annual report when a facility utilizing an Industrial Activity Best Management Practice (BMP) Demonstration (IABMPD) experiences additional exceedances of the numeric action levels.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Ergodic Lagrangian dynamics in a superhero universe

We present a fictional scenario that, while undeniably whimsical, provides the foundation for a unique exercise in extended problem solving, physics analysis, and quantitative model development. Starting with the foundational premise of the Wild Cards shared-world superhero universe, we demonstrate how a variety of concepts appropriate to the advanced undergraduate level—ergodicity, functional analysis, Lagrangian mechanics, and the ever-important simplifying approximation—can be combined into a rich, coherent mathematical model. The goal of this case study is to develop a useful pedagogical exercise in exploring an open-ended research question that presents, at first glance, no clear path forward. Being both eclectic and lengthy, this exercise offers a unique way for students to apply their core physics and mathematics education. It is perhaps best used within a senior honors seminar or within a brief (e.g., January term) elective class.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Development of New g-function Data for Simulating a Novel Shallow Bore Ground Heat Exchanger

Geothermal heat pump (GHP), which is also referred as ground source heat pump, is the most energy-efficient technology for space heating and cooling. However, the application of GHP is hindered by its high initial cost, of which approximately 30% is for the ground heat exchanger (GHE). In recent years, researchers have developed different types of shallow bore ground heat exchangers (SBGHE) intending to reduce the cost of drilling. The ability to predict the thermal response of an SBGHE is critical for sizing SBGHE. While g-functions have been commonly used for predicting the thermal response of conventional vertical bore ground heat exchangers (VBGHE), they cannot be directly used for predicting the performance of SBGHE because they did not account for the impacts of the seasonal variation of the soil temperature along with the depth of an SBGHE. In addition, an SBGHE has a larger thermal mass within the borehole than the VBGHE due to the larger borehole diameter of SBGHE. This study develops new g-function data pairs for a new design of SBGHE, which is named Underground Thermal Battery (UTB). Impacts of the seasonal variation of soil temperature on the thermal response of UTB were accounted for by superposing a time-dependent soil temperature onto the g-functions calculated with a numerical model that assumes constant undisturbed soil temperature. The TOUGH program was used to predict the thermal response of several configurations involving multiple UTBs. The results indicate that the proposed methodology is appropriate to generate g-functions for the UTB, and the g-function value of UTB is much lower than that of VBGHE in the time range of 15 min to 1 year due to the large thermal mass and convection heat transfer within the UTB.

Shi, Liang↗
DOE OSTI2024

High-Fidelity and High-Performance Computational Simulations for Rapid Design Optimization of Sulfur Thermal Energy Storage

Industrial process heating (IPH) accounts for approximately 70% of US manufacturing energy use and is primarily produced by fossil fuel combustion. Approximately 1500 TWht (approximately 60%) of IPH demand is in the temperature range of 100-300. Industrial applications in this temperature range include drying, hydrothermal processing, thermal enhanced oil recovery, food and beverage, bioethanol production, etc. Cost-effective thermal energy storage (TES) that increases the utilization of waste and renewable heat (solar, geothermal, etc.) could provide significant energy savings and reliable heat sources, decrease emissions, and increase US manufacturing competitiveness through reductions in fuel consumption. TES development has historically been dominated by technologies suitable for deployment with concentrating solar power (CSP). State-of-the-art thermal storage deployed commercially with power tower CSP plants uses a 60%/40% NaNO3/KNO3 molten salt and operates between temperatures of approximately 280 degrees Celsius and 570 degrees Celsius using a two-tank configuration. However, these nitrate salts are unsuitable for operation outside of this temperature range due to a high freezing point of approximately 220 degrees Celsius, and limits on high-temperature salt stability and corrosion resistance of containment alloys. Other materials being investigated for TES include those based on: (1) sensible energy storage (various molten salt compositions, inert solid particles, rocks or pebble beds, sulfur, water, concrete, graphite, etc.), (2) latent energy storage in materials that undergo solid-liquid phase change at relevant temperatures (organic materials for low-temperature applications, inorganic salts and/or metals for high-temperature applications), or (3) thermochemical energy storage (hydrides, hydroxides, carbonates, metal oxides, etc.). The application temperature and challenges pertaining to storage material and/or containment cost, energy density, long-term thermal and cyclic stability, and charge/discharge heat transfer effectiveness drive material selection for a given IPH or electricity generation application. Sulfur is a cheap commodity at $80/ton compared to $1100 - 1300/ton for conventional salts. When using a metric of storage cost per kWh, sulfur costs around 2-3 $/kWh. Previous sulfur TES development focused on high temperature (>600 degrees) concentrated solar power applications with sulfur encapsulated in pipes and flow of gaseous HTF (air) in the shell side. However, for lower-temperature IPH applications in the range of approximately 100-300 degrees Celsius Element 16 adopted a compact and scalable TES design with molten sulfur in the shell and HTF pipes submerged in the molten sulfur bath. The low-cost molten sulfur TES for dispatchable IPH has deployment potential for broad applications. The spatial and temporal evolution of the HTF and sulfur temperature is critical to the TES system performance, and thus detailed modeling can improve understanding of the performance and facilitate design improvements. Using high performance computing and computational fluid dynamics (CFD) a low-cost molten sulfur thermal energy storage (TES) system for industrial process heating (IPH) applications was developed. The unique challenges in CFD modeling of sulfur TES are the sharp property changes of sulfur relevant to the working temperatures. Above 159, liquid sulfur undergoes polymerization, and the viscosity of sulfur rapidly increases by several orders of magnitude between 159 degrees Celsius and 188 degrees Celsius, followed by a decrease in viscosity beyond 188 degrees Celsius due to thermal bound dissociation. In addition, various concentrations of H2S impurities can also modify sulfur viscosity. This numerical challenge is especially relevant to transient simulation of the sulfur TES charging and discharging processes as the extreme property variations limit the applicability of traditional heat transfer correlations. Transient CFD simulations including the temperature-dependent sulfur properties and geometric complexity of the TES design were used to predict the effect of natural convection during charging and discharging on the heat transfer process, sulfur temperature uniformity, charge/discharge rates, and performance of the storage devices. The CFD model was validated with experimental results for a full charge and discharge cycle. The work will show 3D and 2D simulation comparisons aimed to facilitate rapid design iterations and a machine learning based design optimization approach.

CFD↗
DOE OSTI2024

Evaluating Ensemble Predictions of South Asian Monsoon Low Pressure System Genesis

Abstract Synoptic-scale vortices known as monsoon low pressure systems (LPSs) frequently produce intense precipitation and hydrological disasters in South Asia, so accurately forecasting LPS genesis is crucial for improving disaster preparedness and response. However, the accuracy of LPS genesis forecasts by numerical weather prediction models has remained unknown. Here, we evaluate the performance of two global ensemble models—the U.S. Global Ensemble Forecast System (GEFS) and the Ensemble Prediction System of the European Centre for Medium-Range Weather Forecasts (ECMWF)—in predicting LPS genesis during the years 2021–22. The GEFS successfully predicted about half the observed LPS genesis events 1–2 days in advance; the ECMWF model captured an additional 10% of observed genesis events. Both models had a false alarm ratio (FAR) of around 50% for 1–2-day lead times. In both ensembles, the control run typically exhibited a higher probability of detection (POD) of observed events and a lower FAR compared to the perturbed ensemble members. However, a consensus forecast, in which genesis is predicted when at least 20% of ensemble members forecast LPS formation, had POD values surpassing those of the control run for all lead times. Moreover, probabilistic predictions of genesis over the Bay of Bengal, where most LPSs form, were skillful, with the fraction of ensemble members predicting LPS formation over a 5-day lead time approximating the observed frequency of genesis, without any adjustment or bias correction.

Suhas, D. L.↗
DOE OSTI2020

An analysis of the spatio-temporal resolution of the immersed boundary method with direct forcing

The immersed boundary method (IBM) with direct forcing is very popular in the simulation of rigid particulate flows. In the IBM, an interaction force is introduced at the interface between fluid and particle in order to approximate the no-slip boundary condition. The interaction force is calculated through dividing the velocity difference (or error) between fluid and particle at the interface by the time step. Here, a dynamic equation for the velocity difference is derived. Additionally, analyses on the dynamic equation provide a few new findings: (i) The interaction force is the solution of a least-squares error problem, with the direct implication that the Lagrangian marker distribution has no effect on the large scale flow structure once the distribution of Lagrangian markers become saturated along the interface (i.e., each marker remains properly correlated with all its neighbors); (ii) The Lagrangian volume-weight is a relaxation factor to control how fast the velocity error decays to the ideal value of zero; (iii) The optimal choice of the Lagrangian volume-weight is the largest value permissible by a stability condition. A comprehensive convergence analysis with regard to the spatial and temporal resolution is presented for the velocity error and also for the shear-stress and surface pressure. In three simple canonical problems, it is analytically and numerically shown that the IBM results converge to the theoretical solutions obtained with precise imposition of no-slip and no-penetration boundary conditions. It is observed that it is not necessary to match the Lagrangian marker volume-weight to that of the local Eulerian cell volume and in fact this matching leads to lower than optimal computational efficiency. However, it is found that extremely high Eulerian grid resolution and small time step have to be used to obtain high precision simulation results. Especially, the time step should be inversely proportional to the particle Reynolds number for low Reynolds number flows. For high frequency oscillation problems, the grid size needs to be reduced by a factor of the square root of the frequency, and the time step to be reduced by a factor of the frequency. The theoretical findings here can be used to alleviate the technical difficulties in simulating non-spherical particles by not requiring the Lagrangian marker distribution to match the Eulerian grids and also in the implementation of IBM on non-uniform Eulerian grids. The present work also provides simple practical guidance on the choice of temporal and spatial resolution so as to control the simulation error a priori.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The impact of magnetic fields on momentum transport and saturation of shear-flow instability by stable modes

The Kelvin–Helmholtz (KH) instability of a shear layer with an initially uniform magnetic field in the direction of flow is studied in the framework of 2D incompressible magnetohydrodynamics with finite resistivity and viscosity using direct numerical simulations. The shear layer evolves freely, with no external forcing, and thus broadens in time as turbulent stresses transport momentum across it. As with hydrodynamic KH, the instability here features a conjugate stable mode for every unstable mode in the absence of dissipation. Stable modes are shown to transport momentum up its gradient, shrinking the layer width whenever they exceed unstable modes in amplitude. In simulations with weak magnetic fields, the linear instability is minimally affected by the field, but enhanced small-scale fluctuations relative to the hydrodynamic case are observed. These enhanced fluctuations coincide with increased energy dissipation and faster layer broadening, with these features more pronounced in simulations with stronger fields. These trends result from the magnetic field reducing the effects of stable modes relative to the transfer of energy to small scales. As field strength increases, stable modes become less excited, thus transporting less momentum against its gradient. Furthermore, the energy that would otherwise transfer back to the driving shear because of the stable modes is instead allowed to cascade to small scales, where it is lost to dissipation. Approximations of the turbulent state in terms of a reduced set of modes are explored. While the Reynolds stress is well-described using just two modes per wavenumber at large scales, the Maxwell stress is not.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Methanogens acquire and bioaccumulate nickel during reductive dissolution of nickelian pyrite

ABSTRACT Nickel (Ni) is a key component of the active site metallocofactors of numerous enzymes required for methanogenesis, including [NiFe]-hydrogenase, carbon monoxide dehydrogenase, and methyl CoM reductase, leading to a high demand for Ni among methanogens. However, methanogens often inhabit euxinic environments that favor the sequestration of nickel as metal-sulfide minerals, such as nickelian pyrite [(Ni,Fe)S 2 ], that have low solubilities and that are not considered bioavailable. Recently, however, several different model methanogens ( Methanosarcina barkeri , Methanococcus voltae , Methanococcus maripaludis ) were shown to reductively dissolve pyrite (FeS 2 ) and to utilize dissolution products to meet iron and sulfur biosynthetic demands. Here, using M. barkeri Fusaro, and laboratory-synthesized (Ni,Fe)S 2 that was physically isolated from cells using dialysis membranes, we show that trace nickel (<20 nM) abiotically solubilized from the mineral can support methanogenesis and limited growth, roughly fivefold less than the minimum concentration known to support methanogenesis. Furthermore, when provided direct contact with (Ni,Fe)S 2 , M. barkeri promoted the reductive dissolution of (Ni,Fe)S 2 and assimilated solubilized nickel, iron, and sulfur as its sole source of these elements. Cells that reductively dissolved (Ni,Fe)S 2 bioaccumulated approximately fourfold more nickel than those grown with soluble nickel and sulfide but had similar metabolic coupling efficiencies. While the mechanism for Ni uptake in archaeal methanogens is not known, homologs of the bacterial Nik uptake system were shown to be ubiquitous across methanogen genomes. Collectively, these observations indicate that (Ni,Fe)S 2 is bioavailable in anoxic environments and that methanogens can convert this mineral into nickel-, iron-, and sulfur-containing metalloenzymes to support methanogenesis and growth. IMPORTANCE Nickel is an essential metal, and its availability has changed dramatically over Earth history due to shifts in the predominant type of volcanism in the late Archean that limited its availability and an increase in euxinic conditions in the early Proterozoic that favored its precipitation as nickel sulfide minerals. Observations presented herein indicate that the methanogen, Methanosarcina barkeri , can acquire nickel at low concentration (<20 nM) from soluble and mineral sources. Furthermore, M. barkeri was shown to actively reduce nickelian pyrite; use dissolution products to meet their iron, sulfur, and nickel demands; and bioaccumulate nickel. These data help to explain how M. barkeri (and possibly other methanogens and anaerobes) can acquire nickel in contemporary and past anoxic or euxinic environments.

(NiFe)S2↗
DOE OSTI2022

Numerical investigation of laser-driven shock interaction with a deformable particle

A laser-driven shock propagating through an isolated particle embedded in a plastic (CH) target was studied using the radiation-hydrodynamic code FLASH. Preliminary simulations using IONMIX equations of state (EOS) showed significant differences in the shock Hugoniot of aluminum compared to experimental data in the low-pressure regime [O(10) GPa], resulting in higher streamwise compression and deformation of an aluminum particle. Hence, a simple modification to the ideal gas EOS was developed and employed to describe the target materials and examine the particle dynamics. The evolution of the pressure field demonstrated a complex wave interaction, resulting in a highly unsteady particle drag which featured two drag minima due to shock focusing at the rear end of the particle and rarefaction stretching due to laser shut-off. Although ~30% lateral expansion and ~25% streamwise compression were observed, the aluminum particle maintained considerable integrity without significant distortion. Additional simulations examined the particle response for a range of particle densities, sizes, and acoustic impedances. The data revealed that lighter particles such as aluminum gained significant momentum, reaching up to ~96% of the shocked CH's speed, compared to ~29% for the heavier tungsten particles. Despite the differences seen in the early stage of shock interaction, particles with varying acoustic impedances ultimately reached the same peak velocity. This identified particle-to-host density ratio is an important factor in determining the inviscid terminal velocity of the particle. In addition, the modified EOS model presented in this study could be used to approximate solid materials in hydrocodes that lack material strength models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

ThinCurr: An open-source 3D thin-wall eddy current modeling code for the analysis of large-scale systems of conducting structures

In this paper we present a new thin-wall eddy current modeling code, ThinCurr, for studying inductively-coupled currents in 3D conducting structures -- with primary application focused on the interaction between currents flowing in coils, plasma, and conducting structures of magnetically-confined plasma devices. The code utilizes a boundary finite element method on an unstructured, triangular grid to accurately capture device structures. The new code, part of the broader Open FUSION Toolkit, is open-source and designed for ease of use without sacrificing capability and speed through a combination of Python, Fortran, and C/C++ components. Scalability to large models is enabled through use of hierarchical off-diagonal low-rank compression of the inductance matrix, which is otherwise dense. Ease of handling large models of complicated geometry is further supported by automatic determination of supplemental elements through a greedy homology approach. Here, a detailed description of the numerical methods of the code and verification of the implementation of those methods using cross-code comparisons against the VALEN code and Ansys commercial analysis software is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Independent Review of Groundwater Remediation Strategy for Hexavalent Chromium and RDX Groundwater Plumes at Los Alamos National Laboratory (Rev. 1)

Site operations at the Los Alamos National Laboratory (LANL) resulted in the release of oxidized chromium, Cr(VI), into Sandia Canyon from cooling tower effluent from 1956 until 1972. The chromium traveled with the surface water approximately 3 miles downstream before migrating below ground surface. Chromium concentrations exceed 50 μg/L in the upper portion of the aquifer. Another LANL groundwater plume of concern is associated with RDX (Royal Demolition Explosives, 1,3,5-trinitro-1,3,5-triazine). Between 1951 and 1996, RDX was released to the mesa-top facilities' process water outfall, adjacent and underlying soils, and alluvial sediments, along with surface water in Cañon de Valle. Between 2000 and 2010, two remedial actions were deployed, removing much of the near-surface RDX, however, recharge due to precipitation has transported RDX into the perched-intermediate zone and into the regional aquifer. The report documents an independent technical review by scientists from the Department of Energy (DOE) Network of National Laboratories for Environmental Management and Stewardship (NNLEMS) to provide recommendations for potential near term actions to address and optimize remediation for both the Cr(VI) and RDX plumes. The proposed near-term remedial actions include design of pump and treat systems for Cr(VI) and monitoring and study for natural attenuation for RDX. The review assesses existing data, conceptual and numerical modeling, and it recommends a technical integration process to support identifying and implementing strategic, effective and efficient remedies. The DOE Environmental Management Los Alamos Field Office (EM-LA) and their cleanup contractor Newport News Nuclear-BWTX, LLC Los Alamos (N3B) provided the information required for the review. Interviews were also conducted with regulators to obtain the full spectrum of technical, regulatory and scientific perspectives. The independent review team was impressed by the capabilities, experiences, innovativeness, and insightfulness of the technical representatives from both the regulator, the New Mexico Environment Department (NMED) and N3B. Incorporation of vadose zone flow pathways in the conceptual site model (CSM) and configuring the numerical modeling for the site was generally state-of-the-practice (or better). This could be considered state-of-the-art by addressing uncertainties related to spatial extent of hydraulic windows. The reviews from the regulators were thorough and often provided useful concepts for consideration and future/study resolutions. The overarching consensus recommendation of independent review team is that the LANL groundwater plumes should be addressed in context of the emerging "management of complex sites" paradigm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Producing multiple chemicals through biological upcycling of waste poly(ethylene terephthalate)

Poly(ethylene terephthalate) (PET) waste is of low degradability in nature, and its mismanagement threatens numerous ecosystems. To combat the accumulation of waste PET in the biosphere, PET bio-upcycling, which integrates chemical pretreatment to produce PET-derived monomers with their microbial conversion into value-added products, has shown promise. The recently discovered Rhodococcus jostii strain PET (RPET) can metabolically degrade terephthalic acid (TPA) and ethylene glycol (EG) as sole carbon sources, and it has been developed into a microbial chassis for PET upcycling. However, the scarcity of synthetic biology tools, specifically designed for the non-model microbe RPET, limits the development of a microbial cell factory for expanding the repertoire of bioproducts from post-consumer PET. Herein, we describe the development of potent genetic tools for RPET, including (1) two inducible and titratable expression systems for tunable gene expression and (2) Serine Integrase-based Recombinational Tools (SIRT) for genome editing. Using these tools, we systematically engineer the RPET strain to ultimately establish microbial supply chains for producing multiple chemicals, including lycopene, lipids, and succinate, from post-consumer PET waste bottles, achieving the highest titer of lycopene ever reported thus far in RPET (i.e., 22.6 mg/L of lycopene, approximately 10,000-fold higher than that of the wild-type strain). Furthermore, this work highlights the great potential of plastic upcycling as a generalizable means of sustainable production of diverse chemicals.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Final report: Insights from ARM observations into aerosol processing and transport by extratropical cyclones and aerosol effects on cyclone clouds

This project advanced understanding of aerosol–cloud interactions in extratropical cyclones using observations from the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) observatory and ACE-ENA field campaigns, along with satellite datasets and numerical modeling. We have quantified the susceptibility of frontal clouds to aerosols, showing that this susceptibility is similar to that in non-frontal clouds despite substantial (factor 2) differences in droplet concentrations between these cloud types, and also significant differences in cloud albedo. A key finding was that Aitken-mode (here, 60-100nm diameter) aerosols play a disproportionately important role in droplet activation in frontal clouds, and concentrations of these particles are frequently strongly biased in climate models. Activation of aerosols depends strongly on updraft speeds, and via collaboration with Argonne National Laboratory we contributed to quantifying these better with the ARM radar wind profiler at the ENA site. Our studies in the North Atlantic have analogs in the Southern Ocean, and to draw these out we examined data from the MARCUS and SOCRATES field campaigns. We identified new particle formation within extratropical cyclones as a potentially important source of cloud condensation nuclei in these pristine marine environments. By combining ARM observations with perturbed parameter ensemble simulations, we demonstrated that surface observations can effectively constrain aerosol–cloud adjustments and reduce uncertainty in simulated cloud liquid water path responses by approximately 15%, yielding stronger constraints on historical aerosol cooling effects. The work further established precipitation processes as a dominant control on aerosol–cloud interactions and Earth system predictability.

Gordon, Hamish [Department of Chemical Engineering↗
DOE OSTI2022

Quark and gluon helicity evolution at small x: revised and updated

We revisit the problem of small Bjorken-x evolution of the gluon and flavor-singlet quark helicity distributions in the shock wave (s-channel) formalism. Earlier works on the subject in the same framework resulted in an evolution equation for the gluon field-strength F 12 and quark “axial current” $\overline{\psi}\gamma$ + γ 5 ψ operators (sandwiched between the appropriate light-cone Wilson lines) in the double-logarithmic approximation (summing powers of α s ln 2 (1/x) with α s the strong coupling constant). In this work, we observe that an important mixing of the above operators with another gluon operator, ${}_D{}^{\leftarrow i} {}_D{}^{i}$, also sandwiched between the light-cone Wilson lines (with the repeated transverse index i = 1, 2 summed over), was missing in the previous works. This operator has the physical meaning of the sub-eikonal (covariant) phase: its contribution to helicity evolution is shown to be proportional to another sub-eikonal operator, ${}_D{}^{i} {}_D{}^{\leftarrow i}$, which is related to the Jaffe-Manohar polarized gluon distribution. In this work we include this new operator into small-x helicity evolution, and construct novel evolution equations mixing all three operators (${}_D{}^{i} {}_D{}^{\leftarrow i}$, F 12 , and $\overline{\psi}\gamma$ + γ 5 ψ), generalizing the results of . We also construct closed double-logarithmic evolution equations in the large-N c and large-N c &N f limits, with N c and N f the numbers of quark colors and flavors, respectively. Solving the large-N c equations numerically we obtain the following small-x asymptotics of the quark and gluon helicity distributions ΔΣ and ΔG, along with the g 1 structure function, $$ \Delta \Sigma \left(x,{Q}^2\right)\sim \Delta G\left(x,{Q}^2\right)\sim {g}_1\left(x,{Q}^2\right)\sim {\left(\frac{1}{x}\right)}^{3.66\sqrt{\frac{\alpha_s{N}_c}{2\pi }}} $$ in complete agreement with the earlier work by Bartels, Ermolaev and Ryskin.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Hydrocarbon production reduces natural methane seeps in the Santa Barbara channel

Abundant natural hydrocarbon seepage in the Santa Barbara Channel includes large amounts of gas, mainly methane. Numerous seeps are focused along a faulted anticlinal axis where in 1982 ARCO placed two large (900 m 2 each) steel gas capture tents on the seabed adjacent to Platform Holly. The seep rate into the tent at high tide is about 5 percent less compared with low tide (2m tidal range). An earthquake in 2013 (M = 4.8) did not affect seepage rates into the steel tents, indicating that gas was not released by fault dilation. The CO 2 and H 2 S content of the captured gas are anomalously low compared to typical Holly gas due to bacterial and sea water-gas interaction at the seep tent. Platform Holly production had an overall effect of reducing gas seepage into the tents over time. Wells beneath the tents at 1-km depth had a much greater influence on the seepage rate than more distal wells. The nearby wells had a direct effect on seepage rate when they were put on production (seepage decreased) versus shut in (seepage increased). The response time was within hours, indicating a direct hydraulic connection between the reservoir at 1 km subsea and the seabed. Permeability of the approximate 1-km fault pathway between the reservoir and the seep tent is calculated to be about 3 × 10 -14 m 2 (30 millidarcys). Gradually, the seep rate declined from peak flow in 1990 (4.5×10 4 m 3 dy-1) to less than 7.1×10 3 m 3 dy -1 in 2013. In June of 2013, a horizontal well was completed high on the structural anticline between Platform Holly and directly beneath the seep tents. Within three weeks of turning on this new well, seepage into the tents completely ceased, ending more than 30 years of natural methane seepage captured by the tents.

58 GEOSCIENCES↗
DOE OSTI2021

Is satellite Sun-Induced Chlorophyll Fluorescence more indicative than vegetation indices under drought condition?

Droughts represent one of the most severe abiotic stress factors that could result in great crop yield loss. Numerous vegetation indices have been proposed for monitoring the vegetation condition under stress and assessing drought impacts on yield loss. However, the understanding and comparison between traditional vegetation indices (VIs) and the newly emerging satellite Sun-Induced Chlorophyll Fluorescence (SIF) for monitoring vegetation condition is still limited especially under drought stress and at multiple spatial scales. In this study, the potential of satellite observation SIF for monitoring corn response to drought was investigated based on the 2012 drought in the US Corn Belt. The standardized precipitation evapotranspiration index (SPEI) was used here to quantify drought. We found that all SPEI were above –1, except for July (–1.27), August (–1.39) and September (–1.14) in 2012, indicating the severity of this drought. We examined the relationship between satellite measurements of SIF, SIF yield , VIs (e.g., NDVI and EVI) and SPEI. Results indicated that SIF yield was sensitive to drought and SIF captured the stress more accurately both at the regional and state scales for the US Corn Belt. Quantitatively, SIF yield had a high correlation with SPEI (r = 0.987, p < 0.05) over the entire Corn Belt, and it indicated losses in response to drought approximately one month earlier than SIF/NDVI/EVI. Furthermore, our results demonstrated that SIF could be trusted as an effective indicator to study the relationship between GPP (R 2 ≥ 0.8664, p < 0.01) under drought conditions across the Corn Belt. Finally, this study highlighted the advantage of using satellite SIF observations to monitor the drought stress on crop growth especially GPP at regional scale.

54 ENVIRONMENTAL SCIENCES↗