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CCN Measurements at Urban Site during CoURAGE

Cloud condensation nuclei (CCN) measurements were collected during CoURAGE from March - June 2025 at the BSEC urban atmospheric chemistry supersite (39.32057 N, 76.6246 W). CCN number concentrations (# cm-3) were obtained at a frequency of 1 second using a cloud condensation nuclei counter (CCN-100, Droplet Measurement Technologies). The CCN counter was operated in stepping mode, measuring CCN over a range of supersaturations from 0.2 to 1.0%. The settings of the instrument were set such that the supersaturation increased in increments of 0.2% up to the maximum supersaturation, and then decreased in increments of 0.2% down to the minimum supersaturation in a repeating cycle. The supersaturation of the instrument was calibrated weekly using ammonium sulfate. The weekly calibrated supersaturation values have been applied to the data. Data during transitions between supersaturation values were removed and replaced with a value of -999. Transitions are defined as the first 210 seconds after a new supersaturation value to ensure the instrument has stabilized following a change in supersaturation. Data were also flagged with a value of -999 if there were concerns with the function of the instrument, specifically the presence of alarm codes, fogging of the optical particle counter (1st stage monitor > 0.4 V), or a sheath to sample flow ratio outside the expected range (< 9 or > 11).

CCN number density↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Development and Evaluation of Occupancy-Aware Model Predictive Control for Residential Building Energy Efficiency and Occupant Comfort

The residential sector accounts for 25% of global primary energy consumption. Two methods have previously been proposed to reduce residential energy use associated with the provision of occupant thermal comfort: 1. Occupancy-based HVAC control, operating systems only during confirmed occupancy, and 2. model predictive control (MPC), harnessing a mathematical model and forecasts to find optimal operating strategies. Previous studies estimate the average energy savings of the two methods individually in the range of 21% and 16%, respectively. The research presented herein was carried out to evaluate the energy savings potential in residential buildings by combining both approaches across different climates, house vintages, and occupancy patterns. Occupancy and eight different physical modalities (e.g. CO2 and VOC) data were collected from five homes for time periods of 4–9 weeks. Collected data sets were used to train occupancy prediction models suggested by an extensive literature survey of occupancy model types. The trained prediction models were combined with MPC and detailed EnergyPlus building simulation models to evaluate residential building performance in terms of annual energy savings and thermal comfort, along with discomfort exceedance metrics. Multiple home types and regions were analyzed to understand regional and climate-dependent potential. Based on actual field data, the occupancy models had a prediction inaccuracy between 8% and 35% across the investigated homes. Average occupancy for the collected data ranged from 56% to 86%, a typical range reported in the literature. Building simulations were conducted for three control scenarios: conventional thermostatic control, occupancy-based, and occupancy-based MPC. The results indicate that all advanced strategies improve upon the conventional control, with some scenarios cutting energy use in half with only occasional incurrence of discomfort. The findings indicate that occupancy-aware model predictive residential building control has the potential to drastically reduce energy use and associated emissions while maintaining occupant comfort for both new and existing buildings.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

Neural network approaches for parameterized optimal control

Here, we consider numerical approaches for deterministic, finite-dimensional optimal control problems whose dynamics depend on unknown or uncertain parameters. We seek to amortize the solution over a set of relevant parameters in an offline stage to enable rapid decision-making and be able to react to changes in the parameter in the online stage. To tackle the curse of dimensionality arising when the state and/or parameter are high-dimensional, we represent the policy using neural networks. We compare two training paradigms: First, our model-based approach leverages the dynamics and definition of the objective function to learn the value function of the parameterized optimal control problem and obtain the policy using a feedback form. Second, we use actor-critic reinforcement learning to approximate the policy in a data-driven way. Using an example involving a two-dimensional convection-diffusion equation, which features high-dimensional state and parameter spaces, we investigate the accuracy and efficiency of both training paradigms. While both paradigms lead to a reasonable approximation of the policy, the model-based approach is more accurate and considerably reduces the number of PDE solves.

97 MATHEMATICS AND COMPUTING↗

Search for solar axions produced through the axion-electron coupling gae using a new GridPix detector at CAST

We present a search for solar axions produced through the axion-electron coupling (g ae ) using data from a novel 7-GridPix detector installed at the CERN Axion Solar Telescope (CAST). The detector, featuring ultra-thin silicon nitride windows and multiple veto systems, collected approximately 160 hours of solar tracking data between 2017–2018. Using machine learning techniques and the veto systems, we achieved a background rate of 1.06 × 10 −5 keV −1 cm −2 s −1 at a signal efficiency of about 80% in the 0.2 to 8 keV range. Analysis of the data yielded no significant excess above background, allowing us to set a new upper limit on the product of the axion-electron and axion-photon couplings of g ae · g aγ < 7.35 × 10 −23 GeV −1 at 95% confidence level for axion masses below 10 meV. This result improves upon the previous best helioscope limit and demonstrates the potential of GridPix technology for rare event searches. Additionally, we derived a limit on the axion-photon coupling of g aγ < 9.0 × 10 −11 GeV −1 at 95% CL, which, while not surpassing CAST’s best limit, provides complementary constraints on axion models.

Beyond Standard Model↗