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At least 145 records · Page 8

Comparing computational times for simulations when using PBPK model template and stand-alone implementations of PBPK models

Introduction We previously developed a PBPK model template that consists of a single model “superstructure” with equations and logic found in many physiologically based pharmacokinetic (PBPK) models. Using the template, one can implement PBPK models with different combinations of structures and features. Methods To identify factors that influence computational time required for PBPK model simulations, we conducted timing experiments using various implementations of PBPK models for dichloromethane and chloroform, including template and stand-alone implementations, and simulating four different exposure scenarios. For each experiment, we measured the required computational time and evaluated the impacts of including various model features (e.g., number of output variables calculated) and incorporating various design choices (e.g., different methods for estimating blood concentrations). Results We observed that model implementations that treat body weight and dependent quantities as constant (fixed) parameters can result in a 30% time savings compared with options that treat body weight and dependent quantities as time-varying. We also observed that decreasing the number of state variables by 36% in our PBPK model template led to a decrease of 20–35% in computational time. Other factors, such as the number of output variables, the method for implementing conditional statements, and the method for estimating blood concentrations, did not have large impacts on simulation time. In general, simulations with PBPK model template implementations of models required more time than simulations with stand-alone implementations, but the flexibility and (human) time savings in preparing and reviewing a model implemented using the PBPK model template may justify the increases in computational time requirements. Conclusion Our findings concerning how PBPK model design and implementation decisions impact computational speed can benefit anyone seeking to develop, improve, or apply a PBPK model, with or without the PBPK model template.

Bernstein, Amanda S.↗

Application Potential of a Dew-Point Cooling Tower in Selected Energy Intensive Applications in Temperate Climate

In the article, the application potential of the dew-point cooling tower (DPCT) in selected energy-intensive applications in temperate climates was analyzed and discussed. The applications selected for analysis are power generation with natural gas turbines and chilled water air conditioning systems. The study is based on a mathematical model derived from a modified ε-NTU model. The model was validated against experimental results and showed satisfactory agreement with the experimental data. DPCT was compared with a typical cooling tower limited by the wet-bulb temperature (wet-bulb cooling tower, WBCT). The simulation results showed that DPCT is able to provide significant energy savings in energy-intensive applications; therefore, its application potential in temperate climates can be considered justified. In the case of gas turbines, DPCT was able to generate 2 to 10 percentage points more capacity than operating on outdoor air and 1.8 to 5 percentage points more than operating with WBCT. In the case of air conditioning systems, the system equipped with DPCT achieved EERs (energy efficiency ratios) higher by 1 to 7.2 compared to dry cooling and by 0.3 to 5.1 compared to systems equipped with WBCT. The annual energy savings obtained by the system with DPCT were 14.7 MWh compared to WBCT and 30 MWh compared to dry cooling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Principled Framework to Assess the Information-Theoretic Fitness of Brain Functional Sub-Circuits

In systems and network neuroscience, many common practices in brain connectomic analysis are often not properly scrutinized. One such practice is mapping a predetermined set of sub-circuits, like functional networks (FNs), onto subjects’ functional connectomes (FCs) without adequately assessing the information-theoretic appropriateness of the partition. Another practice that goes unchallenged is thresholding weighted FCs to remove spurious connections without justifying the chosen threshold. This paper leverages recent theoretical advances in Stochastic Block Models (SBMs) to formally define and quantify the information-theoretic fitness (e.g., prominence) of a predetermined set of FNs when mapped to individual FCs under different fMRI task conditions. Our framework allows for evaluating any combination of FC granularity, FN partition, and thresholding strategy, thereby optimizing these choices to preserve the important topological features of the human brain connectomes. By applying to the Human Connectome Project with Schaefer parcellations at multiple levels of granularity, the framework showed that the common thresholding value of 0.25 was indeed information-theoretically valid for group-average FCs, despite its previous lack of justification. Our results pave the way for the proper use of FNs and thresholding methods, and provide insights for future research in individualized parcellations.

Duong-Tran, Duy (ORCID:0009000944967575)↗

Data Assimilation with Machine Learning Surrogate Models: A Case Study with FourCastNet

Modern data-driven surrogate models for weather forecasting provide accurate short-term predictions but inaccurate and nonphysical long-term forecasts. This paper investigates online weather prediction using machine learning surrogates supplemented with partial and noisy observations. We empirically demonstrate and theoretically justify that, despite the long-time instability of the surrogates and the sparsity of the observations, filtering estimates can remain accurate in the long-time horizon. As a case study, we integrate FourCastNet, a weather surrogate model, within a variational data assimilation framework using partial, noisy ERA5 data. Our results show that filtering estimates remain accurate over a year-long assimilation window and provide effective initial conditions for forecasting tasks, including extreme event prediction.

Adrian, Melissa [Univ. of Chicago, IL (United Stat↗

Global Methane Budget 2000–2020

Abstract. Understanding and quantifying the global methane (CH4) budget is important for assessing realistic pathways to mitigate climate change. CH4 is the second most important human-influenced greenhouse gas in terms of climate forcing after carbon dioxide (CO2), and both emissions and atmospheric concentrations of CH4 have continued to increase since 2007 after a temporary pause. The relative importance of CH4 emissions compared to those of CO2 for temperature change is related to its shorter atmospheric lifetime, stronger radiative effect, and acceleration in atmospheric growth rate over the past decade, the causes of which are still debated. Two major challenges in quantifying the factors responsible for the observed atmospheric growth rate arise from diverse, geographically overlapping CH4 sources and from the uncertain magnitude and temporal change in the destruction of CH4 by short-lived and highly variable hydroxyl radicals (OH). To address these challenges, we have established a consortium of multidisciplinary scientists under the umbrella of the Global Carbon Project to improve, synthesise, and update the global CH4 budget regularly and to stimulate new research on the methane cycle. Following Saunois et al. (2016, 2020), we present here the third version of the living review paper dedicated to the decadal CH4 budget, integrating results of top-down CH4 emission estimates (based on in situ and Greenhouse Gases Observing SATellite (GOSAT) atmospheric observations and an ensemble of atmospheric inverse-model results) and bottom-up estimates (based on process-based models for estimating land surface emissions and atmospheric chemistry, inventories of anthropogenic emissions, and data-driven extrapolations). We present a budget for the most recent 2010–2019 calendar decade (the latest period for which full data sets are available), for the previous decade of 2000–2009 and for the year 2020. The revision of the bottom-up budget in this 2025 edition benefits from important progress in estimating inland freshwater emissions, with better counting of emissions from lakes and ponds, reservoirs, and streams and rivers. This budget also reduces double counting across freshwater and wetland emissions and, for the first time, includes an estimate of the potential double counting that may exist (average of 23 Tg CH4 yr−1). Bottom-up approaches show that the combined wetland and inland freshwater emissions average 248 [159–369] Tg CH4 yr−1 for the 2010–2019 decade. Natural fluxes are perturbed by human activities through climate, eutrophication, and land use. In this budget, we also estimate, for the first time, this anthropogenic component contributing to wetland and inland freshwater emissions. Newly available gridded products also allowed us to derive an almost complete latitudinal and regional budget based on bottom-up approaches. For the 2010–2019 decade, global CH4 emissions are estimated by atmospheric inversions (top-down) to be 575 Tg CH4 yr−1 (range 553–586, corresponding to the minimum and maximum estimates of the model ensemble). Of this amount, 369 Tg CH4 yr−1 or ∼ 65 % is attributed to direct anthropogenic sources in the fossil, agriculture, and waste and anthropogenic biomass burning (range 350–391 Tg CH4 yr−1 or 63 %–68 %). For the 2000–2009 period, the atmospheric inversions give a slightly lower total emission than for 2010–2019, by 32 Tg CH4 yr−1 (range 9–40). The 2020 emission rate is the highest of the period and reaches 608 Tg CH4 yr−1 (range 581–627), which is 12 % higher than the average emissions in the 2000s. Since 2012, global direct anthropogenic CH4 emission trends have been tracking scenarios that assume no or minimal climate mitigation policies proposed by the Intergovernmental Panel on Climate Change (shared socio-economic pathways SSP5 and SSP3). Bottom-up methods suggest 16 % (94 Tg CH4 yr−1) larger global emissions (669 Tg CH4 yr−1, range 512–849) than top-down inversion methods for the 2010–2019 period. The discrepancy between the bottom-up and the top-down budgets has been greatly reduced compared to the previous differences (167 and 156 Tg CH4 yr−1 in Saunois et al. (2016, 2020) respectively), and for the first time uncertainties in bottom-up and top-down budgets overlap. Although differences have been reduced between inversions and bottom-up, the most important source of uncertainty in the global CH4 budget is still attributable to natural emissions, especially those from wetlands and inland freshwaters. The tropospheric loss of methane, as the main contributor to methane lifetime, has been estimated at 563 [510–663] Tg CH4 yr−1 based on chemistry–climate models. These values are slightly larger than for 2000–2009 due to the impact of the rise in atmospheric methane and remaining large uncertainty (∼ 25 %). The total sink of CH4 is estimated at 633 [507–796] Tg CH4 yr−1 by the bottom-up approaches and at 554 [550–567] Tg CH4 yr−1 by top-down approaches. However, most of the top-down models use the same OH distribution, which introduces less uncertainty to the global budget than is likely justified. For 2010–2019, agriculture and waste contributed an estimated 228 [213–242] Tg CH4 yr−1 in the top-down budget and 211 [195–231] Tg CH4 yr−1 in the bottom-up budget. Fossil fuel emissions contributed 115 [100–124] Tg CH4 yr−1 in the top-down budget and 120 [117–125] Tg CH4 yr−1 in the bottom-up budget. Biomass and biofuel burning contributed 27 [26–27] Tg CH4 yr−1 in the top-down budget and 28 [21–39] Tg CH4 yr−1 in the bottom-up budget. We identify five major priorities for improving the CH4 budget: (i) producing a global, high-resolution map of water-saturated soils and inundated areas emitting CH4 based on a robust classification of different types of emitting ecosystems; (ii) further development of process-based models for inland-water emissions; (iii) intensification of CH4 observations at local (e.g. FLUXNET-CH4 measurements, urban-scale monitoring, satellite imagery with pointing capabilities) to regional scales (surface networks and global remote sensing measurements from satellites) to constrain both bottom-up models and atmospheric inversions; (iv) improvements of transport models and the representation of photochemical sinks in top-down inversions; and (v) integration of 3D variational inversion systems using isotopic and/or co-emitted species such as ethane as well as information in the bottom-up inventories on anthropogenic super-emitters detected by remote sensing (mainly oil and gas sector but also coal, agriculture, and landfills) to improve source partitioning. The data presented here can be downloaded from https://doi.org/10.18160/GKQ9-2RHT (Martinez et al., 2024).

54 ENVIRONMENTAL SCIENCES↗

Baseline Climate Variables for Earth System Modelling

The Baseline Climate Variables for Earth System Modelling (ESM-BCVs) are defined as a list of 135 variables which have high utility for the evaluation and exploitation of climate simulations. The list reflects the most frequently used elements of the Coupled Model Intercomparison Project Phase 6 (CMIP6) archive. Successive phases of CMIP have supported strong results in science and substantially influence international climate policy formulation. This paper responds to both interest in exploiting CMIP data standards in a broader range of climate modelling activities and a need to achieve greater clarity about the significance and intention of variables in the CMIP Data Request. As Earth system modelling archives grow in scale and complexity, there are emerging problems associated with weak standardisation at the variable collection level. That is, there are good standards covering how specific variables should be archived, but this paper fills a gap in the standardisation of which variables should be archived. The ESM-BCV list is intended as a resource for ESM intercomparison projects (MIPs) developing requests to enable greater consistency among MIPs and as a reference for modelling centres to enhance consistency within MIPs. Provisional planning for the CMIP7 Data Request exploits the ESM-BCVs as a core element. The baseline variable list includes 98 variables which have modest or minor data volume footprints and could be generated systematically when simulations are produced and archived for exploitation by the World Climate Research Programme (WCRP) community. A further 35 variables are classed as “high volume” and are only suitable for production when the resource implications are justified.

Juckes, Martin [University of Oxford (United Kingd↗

Load assessment of a wind farm considering negative and positive yaw misalignment for wake steering

Wake steering strategies are employed to increase the overall power production of wind farms by deflecting wakes of upstream turbines away from downstream ones. The gain in net power comes at the expense of increased fatigue loads experienced by downstream turbines. In this work we investigate performance and fatigue loading characteristics of a small farm consisting of five aligned International Energy Agency Wind Technology Collaboration Programme 15 MW wind turbines. A parametric study is performed where, for every wind direction from −20 to 20°, the yaw misalignment angle varies from −25 to 25°. This setup allows us to investigate asymmetries and identify optimal conditions for a given wind direction. In general, we find that positive yaw configurations are preferred and that yaw configurations that result in attractive power differences when compared to a baseline no-yaw scenario (25 %) come with significant increase in fatigue loading (we use the standard deviation and damage-equivalent load (DEL) of the blade-root, low-speed shaft, and tower-base moments as proxies for fatigue load). We find that for any given positive wind inflow angle, yaw angles between −2.5 and 15° yield power differences of 10 %–20 % over a no-yaw baseline, and positive yaw is preferred because of lower fatigue loading. For any given negative wind inflow angles, positive yaw also results in lower magnitudes of standard deviation and DEL for the channels investigated. A small power loss of up to 2 % is observed for some positive yaw angles under negative wind directions (as compared to symmetric negative yaw and positive wind cases), but improvements in terms of loads exceed 25 % and may be enough to justify a positive yaw configuration under negative winds as well. We show that such behavior can be explained by partial waking and the direction of the rotation of the rotor.

17 WIND ENERGY↗

Temperature profiling at the American WAKE ExperimeNt (AWAKEN): methodology and uncertainty quantification

We quantify the accuracy of the temperature profiling from ground-based spectral infrared radiance observations at the American WAKE ExperimeNt (AWAKEN). Results from pre-campaign tests and comparisons with in-situ ground-based and airborne sensors at AWAKEN indicate that temperature profiles agree satisfactorily with traditional instruments for wind energy applications. The bias is within a fraction of a degree and appears to be related to atmospheric stability. Root-mean-square differences from the reference instruments are always smaller than a degree and are often well described by the online uncertainty estimation product. Height-to-height and site-to-site temperature differences are in excellent agreement with in-situ observations, which justifies the use of temperature profilers to characterize static stability and spatial gradients of temperature.

17 WIND ENERGY↗

Systematic Uncertainties in the NOvA \nu_\mu-Disappearance Analysis

As the NOvA long-baseline neutrino oscillation experiment takes more data, systematic uncertainty begins to more heavily impact the oscillation analyses. The largest effects are calibration on calorimetric energy, detector modeling on muon energy scale, and near-detector pileup on normalization of the far-detector expectation. Cross-section systematics will be discussed in another poster. Detailed studies have justified previous systematics as too conservative and suggested smaller values. Focused study of detector modeling using dE/dx and external measurements constrain the calibration and energy scale uncertainties. A novel technique is used to assess the impact of activity from neutrino activity piling up over signal, where a simulated neutrino is overlaid into both data and simulation. The difference in efficiency of selecting that single neutrino among data and simulated spills then dominates the normalization systematic.

Alion, Tyler [Sussex U.]↗

Do Flashing and Sealant Materials Need to be Exposed to Extreme Cycling?

In the U.S., over 50% of homes were built before 1980, when minimal building codes existed. The aging of building envelopes can significantly contribute to the air leakage, moisture intrusion, and durability of buildings leading to higher energy demands. Although the durability of building materials and envelope systems has been studied extensively, the durability of specific components like window-wall flashing and sealants remains underexplored. Current standards such as ASTM, NIST, and AAMA primarily focus on durability testing considering the high temperatures only and require sealant testing on anodized aluminum panels, leaving questions about performance in cold or fluctuating temperatures unanswered. Current ASTM and AAMA standards provide guidelines for durability testing but predominantly focus on exposure to higher temperature conditions. It remains unclear how exposure to cold temperatures, or cycles of both hot and cold conditions, affect the durability of these materials. Furthermore, AAMA standards mandate that flashing materials be tested on anodized aluminum panels, which may not reflect real-world applications. Therefore, this initial study aims to explore this concern through testing by constructing two window-wall interface prototypes and applying five different flashing and sealant materials to their joints. These samples were subjected to extreme temperatures, ranging from −34 ℃ (−30 °F) to 50 ℃ (122 °F), over a 28-day period (fourteen cycles of 24 hours), with daily visual inspections to document any signs of deterioration such as wrinkling, distortion, or warping. The study has two main objectives: (1) to determine whether flashing and sealant materials lose their durability and strength when exposed to varying climate conditions, specifically cold climates, and (2) to assess whether the interaction of these materials with different substrates (e.g., lumber, PVC, insulation) affects their durability and strength under varying climate conditions. The findings demonstrate how aging impacts the durability of window-wall systems interfaces, justifying future research that potentially could lead to the development of new testing protocols if significant defects are identified.

Palani, Hevar [ORNL] (ORCID:0000000220211994)↗

Biomass for Carbon Removal and Storage (BiCRS) Counterfactual Decision Tree

Counterfactual is the term used to describe a "business-as-usual" scenario which used as a baseline to compare against a new project, allowing the calculation of net impacts for a life cycle analysis (LCA). The choice of counterfactual is critical for determining the results from LCA and must be carefully justified to ensure a fair and accurate comparison. Using forest residues as an example, this decision tree illustrates decision points to be considered for sustainable biomass sourcing and provides a framework for estimating the carbon emissions or storage under the "business-as-usual” scenarios for biomass otherwise destined for use in Biomass for Carbon Removal and Storage (BiCRS) projects.

09 BIOMASS FUELS↗

ON THE ACCURACY OF MEASUREMENTS MADE UPON FILMS PHOTOGRAPHED BY BAKER-NUNN SATELLITE TRACKING CAMERAS

The photographs taken by the Baker-Nunn cameras of the Smithsonian Astrophysical Observatory were formerly measured with Van Biesbroeck goniometers, but are now measured exclusively with Mann two-screw comparators. Instead of measuring point images, we usually have to measure oblong images, either trails or breaks (the latter produced by interruption of the exposure). We can therefore expect that the accuracy of the determination of their positions is more influenced by the personal errors than it is in conventional astrometry. Approximately 800 measurements were made on 34 images of different length, and, from these, the frequency distribution of settings was determined. Then the relationship between this distribution and the length of the image (trail or break) was examined, and the relationship between the "magnitude error" and the length of image was determined. Measurements were made at different angles formed by the trails and the reticle lines, and it was found that the accuracy was not affected by the angle of the setting. Position determinations have been made using reference stars at different distances. On the basis of these results, we can conclude that the accuracy is neither influenced by the distortion of the emulsion nor by the optical distortion within an area of a diameter of S cm (5°.8). We believe that we are justified in using the linear plate constant method, at least within this area. From numerous double and multiple measurements, the following standard errors were determined for a single position.

ASTROMETRY↗

A STATISTICAL OPTIMIZING NAVIGATION PROCEDURE FOR SPACE FLIGHT

In a typical self-contained space navigation system, celestial observation data are gathered and processed to produce estimated velocity corrections. The results of this paper provide a basis for determining the best celestial measurements and the proper time s to implement velocity corrections. Fundamental to the navigation system is a procedure for processing celestial measurement data which permits incorporation of each individual measurement as it is made in order to provide an improved estimate of position and velocity. In order to "optimize" the navigation, a statistical evaluation of a number of alternative courses of action is made. The various alternatives, which form the basis of a decision process, concern the following: 1) which star and planet combination provides the "best" available observation; 2) whether the best observation gives a sufficient reduction in the predicted target error to warrant making the measurement; and 3) whether the uncertainty in the indicated velocity correction is a small enough percentage of the correction itself to justify an engine re-start and propellant expenditure. Numerical results are presented which illustrate the effectiveness of this approach to the space navigation problem.

NAVIGATION↗

A discussion of the ground-based radio observations

It is reasserted that the Gum nebula is not a single nebula but appears to be composed of several different entities. All the surveys of the southern sky in the continuum, recombination line, H I, and OH were considered. The large amount of high frequency radio emission from the small nebula is noted. The outer part of the Gum nebula has not been seen in any radio observations so far. Only the inner part has been observed to date. It is not justifiable to work out any parameters for the whole nebula by taking an average over the whole solid angle subtended by the big nebula. There appears to be a large difference in density between the small nebula and the big one.

Kerr, F. J.↗

Selected bibliography on the modeling and control of plant processes

A bibliography of information pertinent to the problem of simulating plants is presented. Detailed simulations of constituent pieces are necessary to justify simple models which may be used for analysis. Thus, this area of study is necessary to support the Earth Resources Program. The report sums up the present state of the problem of simulating vegetation. This area holds the hope of major benefits to mankind through understanding the ecology of a region and in improving agricultural yield.

Viswanathan, M. M.↗

Characterization of GTA weldments in 10Ni-8CO-2Cr-1MO steel

This study of 10Ni-8Co-2Cr-1Mo steel includes evaluations of tensile, impact, hardness, fracture toughness properties, and metallographic features. Base plate and three weldments in one-inch thicknesses were examined to compare as-welded properties with those obtained after reaging, and results of welding the 10%Ni alloy with 9-4-20 wire as opposed to a matching weld wire composition. Critical crack sizes are calculated for the material. The most desirable weld properties are obtained using the matching weld wire and a reaging cycle. However, the improvement gained through reaging is probably not sufficient to justify the additional cost for most practical applications.

Stonesifer, F. R.↗

Use of NASTRAN as a teaching aid

Recent experiences with incorporating NASTRAN as a teaching tool in undergraduate courses was found pedagogically sound. Students with no previous computerized structures background are able to readily grasp the program's logic and begin solving realistic problems rapidly. The educational benefit is significantly enhanced by NASTRAN's plotting feature. However, the cost of operating the level 12 version makes the program difficult to justify.

Wilkinson, M. T.↗