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At least 523 records · Page 29

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

Microalgae-based tertiary wastewater treatment has the potential to meet stringent effluent phosphorus limits, with the added benefit of producing a marketable feedstock. However, the lack of validated mechanistic models and their implementation in process simulators have limited the adoption of this technology. In this study, an updated lumped pathway metabolic model (Phototrophic-Mixotrophic Process Model, PM 2 ), including both photoautotrophic and heterotrophic metabolisms of microalgae, was developed to predict effluent phosphorus concentration and biomass yield in response to dynamic influent and varying environmental conditions. The model was implemented in QSDsan – an open-source, Python-based design and simulation platform – for robust simulation under uncertainty. A global sensitivity analysis was performed to prioritize model parameters for calibration. The model was then calibrated and validated using batch experimental data and 45 days of continuous online monitoring data from a full-scale (568 m 3 ·d -1 ) microalgae-based tertiary wastewater treatment plant (EcoRecover process). In particular, along with dynamic influent composition, temperature and light intensity data with diel variation were provided as model inputs to reflect the microalgal behavior under day-night cycling. Overall, the QSDsan-based microalgae process simulator was able to predict effluent phosphorus within 0.02–0.04 mg-P·L -1 , while also capturing the general trends of state variables according to nutrient availability.

Lumped pathway metabolic model↗

Inter-Area Oscillation Damping with Type-5 Wind Power Plant: Preprint

This paper investigates the potential of using brushless excitation (BLE) for not only riding through the fault but also to damp inter-area power oscillation with the help of a synchronous generator (SG) used in Type 5 Wind Power Plant (WPP). In BLE, an auxiliary synchronous generator (ASG) behaving like an exciter is coupled and driven by the rotor of the main SG. The BLE's field current's ASG is fed by two separate loops of the automatic voltage regulator (AVR) and Power System Stabilizer (PSS). The AVR system implements a control loop to regulate the generator terminal voltage, VT. For the PSS, the kinetic energy of the wind turbine is utilized according to the estimated rotational speed of the synchronous generator shaft of the SG. It mitigates the necessity of any curtailment of active power for damping. The effectiveness of the proposed control scheme is verified with a three-phase short circuit fault in a two-area power system.

brushless↗

On-Demand Transit: Features, Benefits, Challenges, Costs, and Evaluation

The U.S. Department of Energy's National Laboratory of the Rockies works in partnership with communities and transit agencies across North America to support and evaluate customized on-demand transit (ODT) systems. ODT, also known as on-demand mobility or microtransit, is a flexible form of public mobility. Unlike traditional fixed-route transit, ODT adjusts where and when service is provided rather than following predetermined schedules and routes. Having evolved from commercial ride-hailing business models, ODT leverages smartphone connectivity and real-time route optimization to provide highly responsive and dynamic service. ODT trips, which are usually shared, can function as a standalone service or as a first-/last-mile service connecting riders to other types of transit.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Kinetic Properties of Microbial Exoenzymes Vary With Soil Depth but Have Similar Temperature Sensitivities Through the Soil Profile

Current knowledge of the mechanisms driving soil organic matter (SOM) turnover and responses to warming is mainly limited to surface soils, although over 50% of global soil carbon is contained in subsoils. Deep soils have different physicochemical properties, nutrient inputs, and microbiomes, which may harbor distinct functional traits and lead to different SOM dynamics and temperature responses. We hypothesized that kinetic and thermal properties of soil exoenzymes, which mediate SOM depolymerization, vary with soil depth, reflecting microbial adaptation to distinct substrate and temperature regimes. We determined the Michaelis-Menten (MM) kinetics of three ubiquitous enzymes involved in carbon (C), nitrogen (N) and phosphorus (P) acquisition at six soil depths down to 90 cm at a temperate forest, and their temperature sensitivity based on Arrhenius/ Q 10 and Macromolecular Rate Theory (MMRT) models over six temperatures between 4–50°C. Maximal enzyme velocity ( V max ) decreased strongly with depth for all enzymes, both on a dry soil mass and a microbial biomass C basis, whereas their affinities increased, indicating adaptation to lower substrate availability. Surprisingly, microbial biomass-specific catalytic efficiencies also decreased with depth, except for the P-acquiring enzyme, indicating distinct nutrient demands at depth relative to microbial abundance. These results suggested that deep soil microbiomes encode enzymes with intrinsically lower turnover and/or produce less enzymes per cell, reflecting distinct life strategies. The relative kinetics between different enzymes also varied with depth, suggesting an increase in relative P demand with depth, or that phosphatases may be involved in C acquisition. V max and catalytic efficiency increased consistently with temperature for all enzymes, leading to overall higher SOM-decomposition potential, but enzyme temperature sensitivity was similar at all depths and between enzymes, based on both Arrhenius/ Q 10 and MMRT models. In a few cases, however, temperature affected differently the kinetic properties of distinct enzymes at discrete depths, suggesting that it may alter the relative depolymerization of different compounds. We show that soil exoenzyme kinetics may reflect intrinsic traits of microbiomes adapted to distinct soil depths, although their temperature sensitivity is remarkably uniform. These results improve our understanding of critical mechanisms underlying SOM dynamics and responses to changing temperatures through the soil profile.

59 BASIC BIOLOGICAL SCIENCES↗

Data-driven modeling of dynamic occupant thermostat override behavior for demand response applications

Buildings consume nearly 40% of global energy and produce similar emissions. Whiletechnological advances address efficiency, occupant behavior causes energy use variations up to 300% between identical buildings. This gap between predicted and actual building performance impacts building design, operations, and grid demand management programs. Through analyses of smart thermostat data from 1,400 single-occupant homes, the researchdemonstrates that occupants respond to 8°F thermostat setpoint changes within a median of 15 minutes, while 2°F changes trigger responses within a median of 30 minutes. This highlights an understudied temporal relationship between thermostat setbacks and response time of occupant behaviors. Models of such behavior dynamics are required to incorporate occupant impacts into building performance simulation. A key contribution of this dissertation is the Thermal Frustration Theory (TFT), which positsthat thermal discomfort driven behaviors are caused by the time-accumulation of discomfort, not simply a temperature deviation threshold or a delay from an initiating event. Using a dataset of 634 thermostats, each with 25+ manual setpoint changes, a comparative analysis of TFT and comfort zone and a delayed response theories demonstrated that personalized TFT models better predict when manual setpoint change occur. This was measured by the area under the curve statistical measure (AUC); all three models perform similarly by a Matthews Correlation Coefficient measure. Higher AUC performance is especially important for modeling occupant behavior in demand response programs where false negatives of rare occupant interactions could adversely affect grid stability. EnergyPlus based simulations were conducted with TFT-derived occupant models, demonstrating the ability to identify parameters of known TFT models from only data observable with smart thermostats, even under the presence of noise from routine overrides. Overall, the dissertation highlights that thermostat interactions are neither static,instantaneous, nor driven solely by the environment. Instead, temporal accumulation of discomfort and routine-based behavior play important roles. The methodology and results offer a pathway towards more accurate modeling of human-building interactions for policy assessment, building design, and demand response programs.

Sharma, Kunind [Northeastern University] (ORCID:00↗

Updraft dynamics and microphysics: on the added value of the cumulus thermal reference frame in simulations of aerosol–deep convection interactions

One fundamental question about atmospheric moist convection processes that remains debated is whether, or under which conditions, a relevant variability in background aerosol concentrations may have a significant dynamical impact on convective clouds and their associated precipitation. Furthermore, current climate models must parameterize both the microphysical and the cumulus convection processes, but this is usually implemented separately, whereas in nature there is a strong coupling between them. As a first step to improve our understanding of these two problems, we investigate how aerosol concentrations modify key properties of updrafts in eight large-eddy-permitting regional simulations of a case study of scattered convection over Houston, Texas, in which convection is explicitly simulated and microphysical processes are parameterized. Dynamical and liquid-phase microphysical responses are investigated using the following two different reference frames: static cloudy updraft grid cells versus tracked cumulus thermals. In both frameworks, we observe the expected microphysical responses to higher aerosol concentrations, such as higher cloud number concentrations and lower rain number concentrations. In terms of the dynamical responses, both frameworks indicate weak impacts of varying aerosol concentrations relative to the noise between simulations over the observationally derived range of aerosol variability for this case study. On the other hand, results suggest that thermals are more selective than cloudy updraft grid cells in terms of sampling the most active convective air masses. For instance, vertical velocity from thermals is significantly higher at upper levels than when sampled from cloudy updraft grid points, and several microphysical variables have higher average values in the cumulus thermal framework than in the cloudy updraft framework. In addition, the thermal analysis is seen to add rich quantitative information about the rates and covariability of microphysical processes spatially and throughout tracked thermal lifecycles, which can serve as a stronger foundation for improving subgrid-scale parameterizations.

54 ENVIRONMENTAL SCIENCES↗

What causes the spread of model projections of ocean dynamic sea-level change in response to greenhouse gas forcing?

Abstract Sea levels of different atmosphere–ocean general circulation models (AOGCMs) respond to climate change forcing in different ways, representing a crucial uncertainty in climate change research. We isolate the role of the ocean dynamics in setting the spatial pattern of dynamic sea-level ( ζ ) change by forcing several AOGCMs with prescribed identical heat, momentum (wind) and freshwater flux perturbations. This method produces a ζ projection spread comparable in magnitude to the spread that results from greenhouse gas forcing, indicating that the differences in ocean model formulation are the cause, rather than diversity in surface flux change. The heat flux change drives most of the global pattern of ζ change, while the momentum and water flux changes cause locally confined features. North Atlantic heat uptake causes large temperature and salinity driven density changes, altering local ocean transport and ζ . The spread between AOGCMs here is caused largely by differences in their regional transport adjustment, which redistributes heat that was already in the ocean prior to perturbation. The geographic details of the ζ change in the North Atlantic are diverse across models, but the underlying dynamic change is similar. In contrast, the heat absorbed by the Southern Ocean does not strongly alter the vertically coherent circulation. The Arctic ζ change is dissimilar across models, owing to differences in passive heat uptake and circulation change. Only the Arctic is strongly affected by nonlinear interactions between the three air-sea flux changes, and these are model specific.

54 ENVIRONMENTAL SCIENCES↗

Assessing Customer Experience and Business Models around Price-to-Device Communication and Smart Control Pathways in CalFlexHub

California is facing three major challenges in electrical grid operation: renewable overgeneration, steep evening ramping, and growing peak demand. The state has identified dynamic retail price response as a key strategy evidenced by CPUC’s Dynamic Rates proceeding and CEC’s Load Management Standards. Furthermore, the CEC launched a $16M “California Load Flexibility Research and Deployment Hub (CalFlexHub)” administered by Berkeley Lab to accelerate price-response flexible load technologies in buildings and EV charging. There are more than 16 laboratory and field demonstration projects in CalFlexHub, each demonstrating innovative automated price-response technologies. CalFlexHub tests various pathways through which hourly price signals and triggered control commands are communicated to load-flexible devices such as smart thermostats, heat pumps, water heaters, and EVs. We identified seven unique communication and control pathways, which involve combinations of third-party cloud, device OEM’s cloud, building central gateway, and local controller in between the price server and the load-flexible devices. It is important for utilities and policy makers to understand the long-term implications of each pathway in designing future programs and creating related policies and mandates for market transformation. We propose an evaluation framework including the following aspects: ● Functionality: connectivity and uptime, resilience, and optimization; ● Customer experience: simplicity in setup, troubleshooting support, continuity, customer choice, first cost, and ongoing cost; ● Business model and scalability: advance interoperability, holistic solution, bridge unique gap, customer base, and value streams and pricing structures. In this paper, we identify emerging business models associated with each communication pathway and discuss their positive features and challenges from the above aspects.

Liu, Jingjing↗

Experimental realization of linearly polarized x-ray detected ferromagnetic resonance

We present the first theoretical and experimental evidence of time-resolved dynamic x-ray magnetic linear dichroism (XMLD) measurements of GHz magnetic precessions driven by ferromagnetic resonance in both metallic and insulating thin films. Our findings show a dynamic XMLD in both ferromagnetic Ni 80 Fe 20 and ferrimagnetic Ni 0.65 Zn 0.35 Al 0.8 Fe 1.2 O 4 for different measurement geometries and linear polarizations. A detailed analysis of the observed signals reveals the importance of separating different harmonic components in the dynamic signal in order to identify the XMLD response without the influence of competing contributions. In particular, RF magnetic resonance elicits a large dynamic XMLD response at the fundamental frequency under experimental geometries with oblique x-ray polarization. The geometric range and experimental sensitivity can be improved by isolating the 2ω Fourier component of the dynamic response. These results illustrate the potential of dynamic XMLD and represent a milestone accomplishment toward the study of GHz spin dynamics in systems beyond ferromagnetic order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A tissue‐resolved, network‐based transcriptomic framework for abiotic stress responses in sorghum

Developing climate‐resilient crops requires a detailed understanding of stress‐induced gene expression dynamics, as maladaptive responses can compromise their productivity and survival. Sorghum, a globally important cereal with exceptional tolerance to multiple abiotic stresses, provides a powerful system for investigating these dynamics. However, how stress type, tissue specificity, and temporal progression jointly shape transcriptomic responses in crops remains poorly understood. Here, we present a comparative, time‐resolved transcriptomic atlas of sorghum responses to drought, heat, and salinity stress across shoot and root tissues. Integrative analyses revealed that tissue specificity is the dominant determinant of abiotic stress‐induced gene reprogramming across all three stresses. Building on these global comparisons, we focused on heat stress, as it elicited the most coherent and pronounced transcriptional and regulatory responses, enabling deeper network‐level interrogation. Co‐expression network analysis identified tissue‐specific modules enriched for phytohormone‐responsive genes, while gene regulatory network (GRN) mapping and cistrome analyses uncovered transcription factors (TFs) controlling key hub genes within these modules. Together, this study provides a foundational transcriptomic and network‐based resource for dissecting the regulatory architecture of abiotic stress responses in sorghum and offers prioritized candidates for future functional validation and engineering of climate‐resilient crops.

abiotic stress↗

Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics

In this work, we introduce a differentiable implementation of the local natural orbital coupled cluster (LNO-CC) method within the automatic differentiation framework of the PySCFAD package. The implementation is comprehensively tuned for enhanced performance, which enables the calculation of first-order static response properties on medium-sized molecular systems using coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. We evaluate the accuracy of our method by benchmarking it against the canonical CCSD(T) reference for nuclear gradients, dipole moments, and geometry optimizations. In addition, we demonstrate the possibility of property calculations for chemically interesting systems through the computation of bond orders and Mössbauer spectroscopy parameters for a [NiFe]-hydrogenase active site model, along with the simulation of infrared spectra via ab initio LNO-CC molecular dynamics for a protonated water hexamer.

Chemistry↗

Deviation from Debye-Waller behavior in single crystalline freestanding Ni⁢ O membranes studied via ultrafast electron diffraction

Here, we realize single-crystal freestanding Ni⁢O films on Si⁢N membranes, enabling thin-film scattering experiments with little or no substrate background signal. These membrane samples provide a critical platform for performing ultrafast electron diffraction (UED) to probe the response of the lattice to laser excitation. We show that epitaxial Ni⁢O films on a water-soluble Sr 2 ⁢Ca⁢Al 2⁢ O 6 buffer layer on Sr⁢Ti⁢O 3 substrates can be transferred as freestanding films to the Si⁢N membranes while maintaining the epitaxial character of the films. An above-gap photoexcitation (𝜆 =266 nm) incident on the sample stimulates an initial lattice response of the order of 1.1 ps, followed by the persistence of this state for more than 20 ps. We observe typical Debye-Waller behavior in peaks with 𝑞 above the (220) family, but a distinct deviation from this behavior is seen in low-𝑞 peaks. We relate this behavior to a dynamic decrease in sample mosaicity in response to the optical pump of the order of 3% that endures for approximately 4 ps. We suspect that this dynamic mosaicity is due to laser-induced strain propagation. This work demonstrates the viability of the thin-film transfer method for UED and paves the way for the study of the dynamic response of antiferromagnetic thin-film oxides.

Wisser, Jacob J. [Stanford Univ., CA (United State↗

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗