Accurate Simulation Research Articles

Enhancing Sustainability in Watershed Management: Spatiotemporal Assessment of Baseflow Alpha Factor in SWAT

The increasing frequency of extreme rainfall events poses significant challenges to sustainable water resource management, leading to severe natural disasters. To mitigate these challenges, understanding the hydrological characteristics of watersheds, especially baseflow, is critical for enhancing watershed resilience and supporting sustainable water quality and resource management. However, conventional watershed models often neglect the accurate simulation of baseflow recession. This study proposes a method for calculating and applying the alpha factor for each hydrologic response unit (HRU) in the Soil and Water Assessment Tool (SWAT), considering both temporal and spatial variability in baseflow. The study watershed has undergone significant development, increasing the need for effective water management strategies that promote long-term sustainability. The alpha factor was computed using BFlow2021, and its effectiveness was evaluated by comparing recession and baseflow estimates under different methods. The results indicate that incorporating monthly HRU-specific alpha factors significantly improves model predictions of recession characteristics, highlighting the need for a more spatially and temporally detailed approach in hydrological modeling. The proposed methodology can help clarify the connection between recession and baseflow and can be applied to ungauged stations, offering a valuable tool for sustainable watershed and water quality management.

A multiscale model for efficiently simulating laser powder bed fusion process with detailed microstructure and mechanical performance results

Numerical simulation is regarded as an important method for studying the mechanisms of additive manufacturing (AM), especially in building a multiscale simulation model. However, the conversion of physical phenomena and parameters across scales is complex, and the number of simulation elements often changes extremely, leading to an inherent conflict between simulation accuracy and efficiency. Therefore, this work introduces a model that balances the need for detailed grain morphology and overall simulation efficiency, to investigate the relationship between process parameters, microstructure, and mechanical performance during Inconel 718 laser powder bed fusion (L-PBF) process. The cellular automata - finite element method (CA-FEM) was used to simulate the melt pool forming and predict the microstructure evolution. Based on the CA result, the tensile process was simulated through crystal plasticity-finite element method (CP-FEM). Specially, the CA-FEM model was simplified and sliced layer-by-layer to reduce simulation time and data storage, supporting parallel computation. The prediction time for the microstructure growth of millions of elements was less than 1.5 h. The CP-FEM model was simplified by reasonably reducing elements in the representative volume element (RVE) model, improving the simulation efficiency by 73 %. The simulation results were validated through EBSD observation and tensile tests, showing good agreement with experimental results, with the final simulation error for mechanical performance not exceeding 10 %. The effects of process parameters on microstructure and mechanical performance were comprehensively discussed. This model supports the optimization of L-PBF process parameters for Ni-based alloys and provides a reference for improving the efficiency of multiscale simulations for other AM processes and materials.

Simultaneous optimal system and controller design for multibody systems with joint friction using direct sensitivities

AbstractReal-world multibody systems are often subject to phenomena like friction, joint clearances, and external events. These phenomena can significantly impact the optimal design of the system and its controller. This work addresses the gradient-based optimization methodology for multibody dynamic systems with joint friction using a direct sensitivity approach. The Brown–McPhee model has been used to characterize the joint friction in the system. This model is suitable for the study due to its accuracy for dynamic simulation and its compatibility with sensitivity analysis. This novel methodology supports codesign of the multibody system and its controller, which is especially relevant for applications like robotics and servo-mechanical systems, where the actuation and design are highly dependent on each other. Numerical results are obtained using a software package written in Julia with state-of-the-art libraries for automatic differentiation and differential equations. Three case studies are provided to demonstrate the attractive properties of simultaneous optimal design and control approach for certain applications.

On the Definition of Velocity in Discrete-Time, Stochastic Langevin Simulations

We systematically develop beneficial and practical velocity measures for accurate and efficient statistical simulations of the Langevin equation with direct applications to computational statistical mechanics and molecular dynamics sampling. Recognizing that the existing velocity measures for the most statistically accurate discrete-time Verlet-type algorithms are inconsistent with the simulated configurational coordinate, we seek to create and analyze new velocity companions that both improve existing methods as well as offer practical options for implementation in existing computer codes. The work is based on the set of GJ methods that, of all methods, for any time step within the stability criteria correctly reproduces the most basic statistical features of a Langevin system; namely correct Boltzmann distribution for harmonic potentials and correct transport in the form of drift and diffusion for linear potentials. Several new and improved velocities exhibiting correct drift are identified, and we expand on an earlier conclusion that, generally, only half-step velocities can exhibit correct, time-step independent Maxwell–Boltzmann distributions. Specific practical and efficient algorithms are given in familiar forms, and these are used to numerically validate the analytically derived expectations. One especially simple algorithm is highlighted, and the ability of one of the new on-site velocities to produce statistically correct averages for a particular damping value is specified.

Effect of shoaling length on rogue wave occurrence

The impact of shoaling on linear water waves is well known, but it has only been recently found to significantly amplify both the intensity and frequency of rogue waves in nonlinear irregular wave trains atop coastal shoals. At least qualitatively, this effect has been partially attributed to the ‘rapid’ nature of the shoaling process, i.e. shoaling occurs over a distance far shorter than that required for waves to modulate themselves and adapt to the reduced water depth. Through a theoretical model and highly accurate nonlinear simulations, we disentangle the respective effects of the length and angle of a shoal's slope. We investigate the effects of the shoaling process rapidness on the evolution of key statistical and spectral sea-state parameters. We let the wave field evolve over a slope with constant angle in all cases while we vary the slope length. Our results indicate that the non-equilibrium dynamics is not affected by the slope length, because further extending the slope length does not influence the magnitude of the statistical and spectral measures as long as the non-equilibrium dynamics dominates the wave evolution. Thus, the shoaling effect on rogue waves is deduced to be mainly driven by the slope magnitude rather than the slope length.

Predicting China’s Energy Consumption and CO2 Emissions by Employing a Novel Grey Model

The accurate prediction of China’s energy consumption and CO2 emissions is important for the formulation of energy and environmental policies and achieving carbon neutrality. This paper proposes a new weighted error evaluation criterion that emphasizes the importance of new data, thereby enabling more accurate capture of the variation characteristics of new data and reflecting the principle of new information priority. By optimizing the development coefficient, grey action, and parameters in the time response formula of the traditional GM(1,1), a novel optimized model, OGMW(1,1), is constructed. The accuracy of the new model is verified by three cases from the literature. The future trends of primary energy, oil, and coal consumption and CO2 emissions in China are predicted over the next five years. The conclusions are as follows: First, the new weighted error evaluation criteria are effective and reasonable and can indicate whether a grey model can reliably use the most recent information for modeling. Second, based on the new error evaluation criteria, the development coefficient, ash action, and parameter C in the time response function can be optimized. The results show that the optimization method is reasonable. Third, compared with the traditional models GM, GMO, and ARIMA, the OGMW(1,1) provides better simulation and prediction accuracy, and new information can be prioritized more effectively. Fourth, the forecasting results indicate that China will increase its consumption of primary energy, oil, and coal, as well as its CO2 emissions. Notably, the growth rates of primary energy and oil consumption are high at approximately 22.7% and 25%, coal consumption will increase slightly, and CO2 emissions will increase by approximately 11%.

Three-dimensional finite element analysis of biological signal feedback in the mechanical properties of sound production

In response to the problems of low reliability and long time consumption in traditional research on sound production, this article used electromyography (EMG) signals as input signals to build a high-precision sound production mechanics model. A Proportional-Integral-Derivative (PID) controller was used to dynamically adjust the model and develop a real-time feedback system. This article established a detailed three-dimensional (3D) finite element model including the vocal cords and throat, defined the nonlinear elastic properties and linear elastic properties of different tissues, and used tetrahedral grid partitioning technology to improve the computational accuracy of the model. Through a EMG sensor, an individual EMG was collected and filtered to remove noise. The processed EMGs were used as input parameters for the finite element model to drive the muscle units in the model. By using a PID controller to receive real-time EMG input, the error was calculated and the model was adjusted, enabling accurate simulation of the mechanical properties of vocal cord vibration under different vocal states and achieving real-time feedback. Considering the complexity of vocal cord vibration driven by biological signals, this article simulated and analyzed the modal characteristics of vocal cord vibration, and analyzed the differences in vocal cord vibration characteristics under different vocal states. The sound pressure distribution and resonance frequency were simulated and analyzed to understand the propagation characteristics of sound. Finally, by comparing and analyzing the simulated data with the actual collected data, it was found that the maximum relative error rate of the model under different sound states was 6.14%, and the overall error rate of the model was relatively low, which verified the reliability of the model. The findings demonstrated that the feedback delays of the model in different sound states were all within 100 milliseconds, indicating that the system had high real-time performance and accuracy, which was promising in practical applications.

Insights into calculating Reference Discontinuity Factors with Serpent Monte Carlo code

This study explores the calculation of Reference Discontinuity Factors (RDFs) using the Serpent Monte Carlo code, focusing on the methodology and potential pitfalls. In two-step reactor analyses, consistently generated RDFs are crucial for aligning homogeneous nodal diffusion results with the reference heterogeneous transport solution. However, the Serpent internal diffusion solver, based on the Analytic Function Expansion Nodal (AFEN) method, may not be compatible with other nodal methods such as the Nodal Expansion Method (NEM). Additionally, the solver can suffer from instabilities, particularly in multi-group calculations, leading to erroneous RDFs. Despite these challenges, Serpent can generate the necessary raw data for RDF calculation, which can be accurately processed using external diffusion solvers. Two numerical examples − a 1D fuel-reflector model and a 2D SMR core model − illustrate the effects of consistent and inconsistent RDFs on simulation accuracy. The study emphasizes the importance of using compatible diffusion solvers and thoroughly assessing RDFs to avoid errors in reactor simulations.

Modeling Nuclear-Centric Scenarios for Ukraine’s Low-Carbon Energy Transition Using Diffusion and Regression Techniques

This study presents a mathematical model for forecasting the development of Ukraine’s Integrated Power System (IPS) until 2040, with a specific focus on the expansion of nuclear energy as a cornerstone of the nation’s low-carbon transition. The model is an extension of Frank Bass’s mixed influence diffusion model, incorporating both economic and technological factors. These factors are treated as stochastic variables essential for accurately predicting the evolution of an integrated energy system, particularly in the context of rapid renewable energy sources (RES) growth. The model employs regression techniques using generalized logistic curves, improving forecasting efficiency by aligning modeling parameters with experimental data. The study’s results indicate the potential for optimizing IPS components, including nuclear and thermal power generation, through the model’s application. The model is distinguished by its inclusion of economic and technological impacts, such as state matrices, control actions, and external influence matrices, which enhance the accuracy of simulations and predictions. The validation of the model, based on scenarios of electricity consumption and generation, shows significant alignment with observed trends, confirming the model’s reliability. The findings suggest that this model is an effective tool for developing and refining energy system scenarios, with nuclear energy playing a pivotal role in Ukraine’s sustainable energy future.

Characteristics of coal crack development and gas desorption in the stress affected zone of rock pillar

Coal (Rock) pillar retaining in the mining of protective layer would cause gas dynamic disaster in the protected layer. Based on the gas geological conditions of the two-layer coal seam in Jinhe Coal Mine of Yaojie Mining District, the stress evolution law of coal seam in the rock pillar affected area was studied by theoretical analysis and numerical simulation, and the crack development law of coal seam in different loading stages under conventional triaxial loading was studied by CT scanning technology. With the analysis of the stress evolution and crack development of coal in rock pillar affected area, the gas extraction effect under different stress states and the gas desorption law after pressure relief antireflection were studied on site. The results showed that the stress of coal in the rock pillar affected area is in the approximate elastic stage of the conventional triaxial stress-strain curve, and the cracks of coal are mainly closed at this stage. Meanwhile, the increase of stress leaded to the decrease of coal permeability and the poor gas extraction effect. CT scanning tests under conventional triaxial loading were carried out in the laboratory, and three-dimensional visual models of coal sample cracks were constructed at different loading stages. When loading to the linear elastic stage, the crack volume and surface area were reduced by 74% and 71% compared with the ones in initial state. At the same time, the expression between stress σ and crack density T was further established. After comprehensive control measures such as intensive drilling discharge, presplitting blasting and coal water injection were taken to the coal in rock pillar affected area, the crack density T could reach the crack development level of the conventional triaxial loading softening stage, realizing the crack development of the coal under low stress. The enclosed gas in front of the coal could desorption flow during the roadway driving. And the predict index value K1 also decreased from 0.57 mL/(g·min1/2) to 0.17 mL/(g·min1/2) continuously. The safety of coal roadway in rock pillar affected area was realized, and the accuracy of numerical simulation and laboratory test results was verified, which had certain reference significance for coal roadway excavation under this similar conditions.

Dot-array porous medium model for windscreen and its simulation accuracy analysis

Porous medium models have long been prevalent numerical computation tools. Although they exhibit swift computational speed, their accuracy in simulating windscreen perforation structures is challenged. This paper introduces the innovative dot-array porous medium (DAPM) model, which accurately portrays the perforation structure and material characteristics of a windscreen by establishing virtual holes on the porous medium. Not only does it simplify modeling by eliminating complex perforation processes, but it also adeptly simulates the flow behavior of the windscreen. The comprehensive comparison between the DAPM model and the physical mesh model, traditional porous medium model, as well as wind tunnel test results, demonstrates that the DAPM model not only possesses rapid computational speed but also delivers outstanding precision in results. In terms of velocity distribution, vortex distribution, and flow intensity in the flow field, the model indicates a high level of accuracy, clearly exceeding that of the porous medium model. Moreover, the DAPM model showcases high versatility and adjustability in practical applications. By adjusting dimension parameters, it demonstrates the capability to precisely simulate any windscreen with holes arranged in a matrix pattern. This research provides an efficient and reliable tool for the numerical simulation of windscreens, with broad application prospects.

Variable frequency interharmonic domain methodology for transient analysis and simulation of distributed generation systems

As the integration of renewable energy resources into the power grid increases, accurate modeling of variable frequency distributed generation systems becomes essential for ensuring grid stability, reliability, and optimal operation. Existing models often fail in effectively capturing the frequency dynamics of these systems, particularly when dealing with variable frequency sources. This gap hinders comprehensive analysis and the development of effective planning, control, and mitigation strategies.To address this challenge, this paper introduces a novel modeling methodology named here as the variable frequency interharmonic domain (VFID), which is based on the flexible extended harmonic domain (FEHD) approach. VFID dynamically adjusts the set of pre-selected frequencies within the state-space system to reflect changes in variable frequency sources. This method eliminates the need for post-processing routines, accurately representing both instantaneous values and frequency evolution of time-varying harmonics and interharmonics.Key results demonstrate that VFID offers significant improvements in simulation accuracy over conventional FEHD and PSCAD methods, making it a valuable tool for analyzing and simulating modern distributed generation systems. This advancement not only fills a critical research gap but also contributes to the development of more resilient and sustainable energy infrastructures.

Method and Verification of Liquid Cooling Heat Dissipation Based on Internal Heat Source of Airborne Long-Focus Aerial Camera

The traditional passive heat dissipation method has low heat dissipation efficiency, which is not suitable for the heat dissipation of the concentrated heat source inside the long-focal aerial camera, resulting in temperature level changes and temperature gradients in the optical system near the heat source, which seriously affect the imaging performance of the aerial camera. To solve this problem, an active heat dissipation method of liquid cooling cycle is proposed in this paper. To improve the solving efficiency and ensure simulation accuracy, a dynamic boundary information transfer method based on grid area weighting is proposed. The thermal simulation results show that the liquid cooling method reduces the heat source temperature by 70.12%, and the boundary temperature transfer error is 0.015%. The accuracy of thermal simulation is verified by thermal test, and the simulation error is less than 6.44%. In addition, the performance of the optical system is further analyzed, and the results show that the MTF of the optical system is increased from 0.077 to 0.194 under the proposed active liquid cooling cycle heat dissipation method.

Effect of slope on water run-off and soil vulnerability in an unglaciated sub-watershed: a case study of conservation practice siting

For maximization of soil and water quality benefits, the right agricultural conservation practices (CPs) should be practiced for the right place. The Agricultural Conservation Planning Framework (ACPF) is a tool that helps decision makers achieve precise conservation within a target watershed using rapid, low-cost Geographic Information System-based tools. ACPF takes the information on landscape characteristics and combines it with user input to identify locations susceptible to soil loss and water run-off and suggest potential CP locations. Suggested CPs may further be analyzed for urgency, installation cost, and effectiveness. In this study, ACPF was applied to analyze soil and water vulnerability within a small unglaciated sub-watershed in southwest Wisconsin and identify potential CP practices and recommended placement sites. To promote environmental sustainability in the agriculture sector, land managers are tasked with implementing CPs, but often lack adequate information on the most effective practice and placement strategy. Field-scale siting of CPs was achieved using high-resolution terrain derivatives and accurate simulation of the stream network. Slope disaggregation among soil loss vulnerability categories was also conducted. Greatest sources of vulnerability were associated with slope and erodibility factors, with average slope within cropped fields being 6% and erodibility being as high as 43%. Fields classified as critical for conservation had a mean slope of 7.4%. Suggested contour buffer strip (CBS) placement per field varied with slope, with steeper fields having denser placement. The results suggested that 3% of cropland could be removed from production if the recommended placement of CBS was implemented. A further 0.2% of the sub-watershed area would go to grassed waterways. The results support implementation of effective CPs based on local conditions and act as a tool to help reveal if existing practices in the sub-watershed are of a size and extent comparable to the predicted potential.

Bringing it all together: science priorities for improved understanding of Earth system change and to support international climate policy

Abstract. We review how the international modelling community, encompassing integrated assessment models, global and regional Earth system and climate models, and impact models, has worked together over the past few decades to advance understanding of Earth system change and its impacts on society and the environment and thereby support international climate policy. We go on to recommend a number of priority research areas for the coming decade, a timescale that encompasses a number of newly starting international modelling activities, as well as the IPCC Seventh Assessment Report (AR7) and the second UNFCCC Global Stocktake. Progress in these priority areas will significantly advance our understanding of Earth system change and its impacts, increasing the quality and utility of science support to climate policy. We emphasize the need for continued improvement in our understanding of, and ability to simulate, the coupled Earth system and the impacts of Earth system change. There is an urgent need to investigate plausible pathways and emission scenarios that realize the Paris climate targets – for example, pathways that overshoot 1.5 or 2 °C global warming, before returning to these levels at some later date. Earth system models need to be capable of thoroughly assessing such warming overshoots – in particular, the efficacy of mitigation measures, such as negative CO2 emissions, in reducing atmospheric CO2 and driving global cooling. An improved assessment of the long-term consequences of stabilizing climate at 1.5 or 2 °C above pre-industrial temperatures is also required. We recommend Earth system models run overshoot scenarios in CO2-emission mode to more fully represent coupled climate–carbon-cycle feedbacks and, wherever possible, interactively simulate other key Earth system phenomena at risk of rapid change during overshoot. Regional downscaling and impact models should use forcing data from these simulations, so impact and regional climate projections cover a more complete range of potential responses to a warming overshoot. An accurate simulation of the observed, historical record remains a fundamental requirement of models, as does accurate simulation of key metrics, such as the effective climate sensitivity and the transient climate response to cumulative carbon emissions. For adaptation, a key demand is improved guidance on potential changes in climate extremes and the modes of variability these extremes develop within. Such improvements will most likely be realized through a combination of increased model resolution, improvement of key model parameterizations, and enhanced representation of important Earth system processes, combined with targeted use of new artificial intelligence (AI) and machine learning (ML) techniques. We propose a deeper collaboration across such efforts over the coming decade. With respect to sampling future uncertainty, increased collaboration between approaches that emphasize large model ensembles and those focussed on statistical emulation is required. We recommend an increased focus on high-impact–low-likelihood (HILL) outcomes – in particular, the risk and consequences of exceeding critical tipping points during a warming overshoot and the potential impacts arising from this. For a comprehensive assessment of the impacts of Earth system change, including impacts arising directly as a result of climate mitigation actions, it is important that spatially detailed, disaggregated information used to generate future scenarios in integrated assessment models be available for use in impact models. Conversely, there is a need to develop methods that enable potential societal responses to projected Earth system change to be incorporated into scenario development. The new models, simulations, data, and scientific advances proposed in this article will not be possible without long-term development and maintenance of a robust, globally connected infrastructure ecosystem. This system must be easily accessible and useable by modelling communities across the world, allowing the global research community to be fully engaged in developing and delivering new scientific knowledge to support international climate policy.

First top-down diurnal adjustment to NOx emissions inventory in Asia informed by the Geostationary Environment Monitoring Spectrometer (GEMS) tropospheric NO2 columns

Pioneering the use of the Geostationary Environment Monitoring Spectrometer’s (GEMS) observation data in air quality modeling, we adjusted Asia’s NOx emissions inventory by leveraging the instrument’s unprecedented sampling frequency. GEMS tropospheric NO2 columns served as top-down constraints, guiding our Bayesian inversion to constrain NOx emissions in Asia during spring 2022. This enabled the model to better capture the diurnal variation in NOx emissions, such as its morning rush hour peak, particularly when more retrievals were available each day, improving the simulation accuracy to a certain extent. The GEMS-informed adjustment reduced the extent of model underestimation of surface NO2 concentrations from 17.38 to 5.58% in Korea and from 13.05 to 4.54% in China, showing about 9.40% and 5.77% greater improvements, respectively, compared to the adjustment based on the sun-synchronous low earth orbit observation proxy. Our findings highlight the potential of geostationary observation data in refining the diurnal cycle of inventoried NOx emissions, thereby more effectively improving the accuracy of air quality simulations.

Research on the Hydrodynamic Characteristics of a Rectangular Otter Board in Different Work Postures Based on a Dynamic Model

This paper investigates the hydrodynamic characteristics of a rectangular otter board in different working postures by using a dynamic model. Dynamic models are mainly based on dynamic mesh techniques. The results of the dynamic model are, compared to the model test, carried out in a flume tank. Furthermore, different rotation speeds of dynamic model were analyzed. The research results are as follows: compared to flume tank results, the maximum error of the dynamic model is 23.77%. Moreover, the influence of rotation speed on the hydrodynamic board is not obvious, and 2 deg./s was chosen as the rotation speed. When the board is tilted slightly (including four working postures), its lift-to-drag ratio first increases slightly and then gradually decreases. Compared with the other three working postures, the pressure center coefficient of the board does not change significantly when it is tilted inward. When studying different working angles (including AOA and tilt angle) of the otter board, the numerical dynamic model significantly reduces repetitive setup work, making simulations more efficient. Its ability to provide continuous curves and a large volume of results offers researchers a more detailed and comprehensive understanding of the board’s hydrodynamics. Additionally, the dynamic model supports innovative fishery equipment development by allowing more accurate and continuous numerical simulations.

A methodology to replicate LTGC engine conditions in a single-zone model and validate gasoline surrogate formulations versus experimental measurements

In this work, surrogate fuels for three premium-grade gasoline fuels were formulated and its autoignition behavior was validated, together with that of an existing surrogate for E10 regular gasoline, by comparison to experimental data measured in the Sandia Low-Temperature Gasoline Combustion research engine facility. Surrogate fuels have been previously designed by matching fuel properties such as octane number, fuel/air stoichiometric ratio and hydrogen/carbon ratio. However, similar octane rating can be obtained with several blends that will show different ignition characteristics. To avoid this issue, the surrogate fuels shown in this paper have been formulated by matching the main components of the fuel detailed hydrocarbon analysis. Validation of the surrogates was performed by replicating engine experiments run with the real fuel in a 0-D internal combustion engine reactor model with detailed chemistry. A fitted heat-loss model had to be implemented to properly replicate the experimental in-cylinder thermodynamic conditions, which invalidates the adiabatic assumption sometimes applied to engine simulations. Furthermore, minor species present in the EGR and residuals, such as CO and NOx, had to be taken into account to replicate the experimental low-temperature heat release (LTHR) trends. Therefore, accounting for heat losses and detailed in-cylinder composition are essential to accurately simulate the engine data. The bottom dead center temperature deviation required to obtain the same combustion timing as in the experiments was used as a metric to evaluate the accuracy of simulations. The surrogates gave good performance for the whole explored range, and replication of LTHR is a key factor in matching the experimental data. Chemical kinetic analyses showed that replication of LTHR is controlled by the ability of the surrogate to properly balance radical generation from low-temperature chain branching decomposition with radical consumption from stable species. Surrogate components that act as a sink of radicals tend to suppress the LTHR of the fuel, which may lead to large deviations between simulations and experiments. Especial attention should be paid to these fuel species when selecting the surrogate components.

Unsupervised learning of effective quantum impurity models

Generalized quantum impurity models—which feature a few localized and strongly correlated degrees of freedom coupled to itinerant conduction electrons—describe diverse physical systems, from magnetic moments in metals to nanoelectronics quantum devices such as quantum dots or single-molecule transistors. Correlated materials can also be understood as self-consistent impurity models through dynamical mean-field theory. Accurate simulation of such models is challenging, especially at low temperatures, due to many-body effects from electronic interactions, resulting in strong renormalization. In particular, the interplay between local impurity complexity and Kondo physics is highly nontrivial. A common approach, which we further develop in this work, is to consider instead a simpler effective impurity model that still captures the low-energy physics of interest. The mapping from a bare to an effective model is typically done perturbatively, but even this can be difficult for complex systems, and the resulting effective model parameters can nevertheless be quite inaccurate. Here we develop a nonperturbative, unsupervised machine learning approach to systematically obtain low-energy effective impurity-type models, based on the renormalization-group framework. The method is shown to be general and flexible, as well as accurate and systematically improvable. We benchmark the method against exact results for the Anderson impurity model, and we provide an outlook for more complex models beyond the reach of existing methods. Published by the American Physical Society 2024

The biogeochemical model Biome-BGCMuSo v6.2 provides plausible and accurate simulations of the carbon cycle in central European beech forests

Abstract. Process-based ecosystem models are increasingly important for predicting forest dynamics under future environmental conditions, which may encompass non-analogous climate coupled with unprecedented disturbance regimes. However, challenges persist due to the extensive number of model parameters, scarce calibration data, and trade-offs between the local precision and the applicability of the model over a wide range of environmental conditions. In this paper, we describe a protocol that allows a modeller to collect transferable ecosystem properties based on ecosystem characteristic criteria and to compile the parameters that need to be described in the field. We applied the procedure to develop a new parameterisation for European beech (Fagus sylvatica L.) for the Biome-BGCMuSo model, the most advanced member of the Biome-BGC family. For model calibration and testing, we utilised multiyear forest carbon data from 87 plots distributed across five European countries. The initial values of 48 new ecophysiological parameters were defined based on a literature review. The final values of six calibrated parameters were optimised for single sites as well as for multiple sites using generalised likelihood uncertainty estimation (GLUE) and model output conditioning that ensured plausible simulations based on user-defined ranges of carbon stock output variables (carbon stock in aboveground wood biomass, soil, and litter) and finding the intersections of site-specific plausible parameter hyperspaces. To support the model use, we tested the model performance by simulating aboveground tree wood, soil, and litter carbon across a large geographical gradient of central Europe and evaluated the trade-offs between parameters tailored to single plots and parameters estimated using multiple sites. Our findings indicated that parameter sets derived from single sites provided an improved local accuracy of simulations of aboveground wood, soil, and litter carbon stocks by 35 %, 55 %, and 11 % in comparison to the a priori parameter set. However, their broader applicability was very limited. A multi-site optimised parameter set, on the other hand, performed satisfactorily across the entire geographical domain studied here, including on sites not involved in the parameter estimation, but the errors were, on average, 26 %, 35 % and 9 % greater for the aboveground wood, soil, and litter carbon stocks than those obtained with the site-specific parameter sets. Importantly, model simulations demonstrated plausible responses across large-scale environmental gradients, featuring a clear production optimum of beech that aligns with empirical studies. These findings suggest that the model is capable of accurately simulating the dynamics of European beech across its range and can be used for more comprehensive experimentations.