Model Calculations Research Articles

An optimal global biochar application strategy based on matching biochar and soil properties to reduce global cropland greenhouse gas emissions: findings from a global meta-analysis and density functional theory calculation

Biochar has been extensively utilized to amend soil and mitigate greenhouse gas (GHG) emissions from croplands. However, the effectiveness of biochar application in reducing cropland GHG emissions remains uncertain due to variations in soil properties and environmental conditions across regions. In this study, the impact of biochar surface functional groups on soil GHG emissions was investigated using molecular model calculation. Machine learning (ML) technology was applied to predict the responses of soil GHG emissions and crop yields under different biochar feedstocks and application rates, aiming to determine the optimum biochar application strategies based on specific soil properties and environmental conditions on a global scale. The findings suggest that the functional groups play an essential role in determining biochar surface activity and the soil’s capacity for adsorbing GHGs. ML was an effective method in predicting the changes in soil GHG emissions and crop yield following biochar application. Moreover, poor-fertility soils exhibited greater changes in GHG emissions compared to fertile soil. Implementing an optimized global strategy for biochar application may result in a substantial reduction of 684.25 Tg year−1 CO2 equivalent (equivalent to 7.87% of global cropland GHG emissions) while simultaneously improving crop yields. This study improves our understanding of the interaction between biochar surface properties and soil GHG, confirming the potential of global biochar application strategies in mitigating cropland GHG emissions and addressing global climate degradation. Further research efforts are required to optimize such strategies.Graphical

Biogenic silica dynamics in coastal wetland sediments: A key driver of silicon and carbon biogeochemical cycling

AbstractBiogenic silica (biogenic Si) is a bioactive component crucial for the biogeochemical cycling of Si in terrestrial and aquatic ecosystems. Its formation and dissolution dynamics are intricately linked to carbon (C) cycling. However, knowledge about the source, composition, and factors controlling the distribution of biogenic Si in coastal wetland sedimentary environments is still limited. To address this lack of knowledge, we introduced a suite of geometric models for biogenic Si biovolume calculation and investigated biogenic Si assemblages, along with biogenic Si and biogenic Si‐occluded C contents, in sediments from representative coastal wetlands along the west coast of Bohai Bay. Our analysis showed that sedimentary biogenic Si predominantly derived from phytoliths (78.1% ± 5.8%), diatoms (18.2% ± 4.8%), and sponge spicules (3.7% ± 2.9%). Notably, phytolith assemblages were primarily composed of forms derived from the Poaceae family. The biogenic Si‐occluded C content (0.035–1.870 g kg−1) within these wetland sediments was consistent across both sites, accounting for 0.97–5.71% of the total organic C pool. Structural equation modeling indicated that total organic C, pH, and amorphous aluminum oxides either directly or indirectly influenced the biogenic Si content in coastal wetlands sediments. These results demonstrate the critical role that biogenic Si plays in the Si biogeochemical cycle and provide valuable information that advances our understanding of the biogeochemical interactions between Si and C in coastal wetland ecosystems.

Dyeing behaviour of iron(III)-gallic acid complexes on wool as function of pH-dependent iron(III)-complex stoichiometry

Iron complexes with polyphenolics e.g. gallotannins and flavonoids have been used since ancient times for coloration of textiles, painting and preparation of inks. The composition of iron gall inks on historical artefacts has been investigated with modern instrumental methods. However the dyeing behaviour of iron-complexes with polyphenols still bases on empirical knowledge. In this study Fe(III)-complexes with gallic acid were used as model system to elucidate their pH dependent sorption and dyeing behaviour on wool. At dyebath pH 3 high sorption of Fe(III)-gallic acid complexes was observed, however darker dyeings were obtained at dyebath pH 4. Model calculations for the complex species present in the dyebath indicated the presence of the binary complex [Fe(III)(GA2−)]+ as main species at pH 3, while at pH 4 the ternary species [Fe(III)(GA2−)2]- prevails. The dye sorption bases on Van-der-Waals forces, while ionic interactions between Fe(III)-complex and keratin are of minor relevance. The elaborated theoretical model also explains the influence of dyebath pH in dyeing with gallotannins, polyphenols and flavonoids in presence of iron salts and thus is of particular relevance for improved utilisation of these natural colorants.

Simplified calculation models for evaluating the post-earthquake axial load-carrying capacity of RC bridge piers

This study aims to develop simplified calculation models of the post-earthquake axial load-carrying capacity of reinforced concrete columns to determine the post-earthquake traffic flow capacity of the bridges for the evaluation and design process. To this end, the maximum and residual drift ratios are first determined as the engineering demand parameters for the simplified calculation model for the evaluation and design process, respectively. Then, the optimal models describing the relationships between the maximum/residual drift ratio and the post-earthquake axial load-carrying capacity are selected. The analysis results show the normal cumulative model in the coordinate system of ln(x)-y is the optimal relationship model. On this basis, the effects of high-sensitivity parameters (i.e. the axial compressive ratio and shear span ratio) on the post-earthquake axial load-carrying capacity are investigated. Results indicate that the axial compressive ratio negatively affects, while the shear span ratio positively affects the post-earthquake axial load-carrying capacity. Finally, the simplified calculation models of the post-earthquake axial load-carrying capacity are developed from the optimal model and the effects of the high-sensitivity parameters, and with validated high accuracy. The simplified calculation models provide engineers and policymakers with a tool to predict the post-earthquake traffic flow capacity of bridges.

Optimal Flexibility Dispatching of Multi-Pumped Hydro Storage Stations Considering the Uncertainty of Renewable Energy

With the continuous increase in the penetration rate of renewable energy, the randomness and flexibility demand in the power system continues to increase. The main grid side of the power system vigorously develops pumped hydro storage (PHS) resources. However, the current PHS station scheduling method of a fixed time period and fixed power has lost a certain flexibility supply. In this paper, an optimal dispatching model of multi-pumped hydro storage stations is proposed to supply flexibility for different regions of the state grid in east China. Firstly, the credible predictable power (CPP) of renewable energy is calculated and the definition of flexibility demand of a power system is given. The calculation model for flexibility demand is established. Secondly, considering the regional allocation constraint in the state grid in east China, a non-centralized model of multi-PHS within the dispatch scope is established. In the model, the constraints of storage capacity of different hydropower conversion coefficients of each PHS station is considered. The flexibility supply model of PHS stations to each region of the state grid in east China is established to realize reasonable flexibility allocation. Then, by combining the PHS station models and the flexibility demand calculation model, the optimal dispatching model for the flexibility supply of multi-PHS stations is established. Finally, based on the network dispatching example, the effectiveness and superiority of the proposed strategy are verified by a case study.

Proton dose calculation with LSTM networks in presence of a magnetic field

Objective.To present a long short-term memory (LSTM) network-based dose calculation method for magnetic resonance (MR)-guided proton therapy.Approach.35 planning computed tomography (CT) images of prostate cancer patients were collected for Monte Carlo (MC) dose calculation under a perpendicular 1.5 T magnetic field. Proton pencil beams (PB) at three energies (150, 175, and 200 MeV) were simulated (7560 PBs at each energy). A 3D relative stopping power cuboid covering the extent of the PB dose was extracted and given as input to the LSTM model, yielding a 3D predicted PB dose. Three single-energy (SE) LSTM models were trained separately on the corresponding 150/175/200 MeV datasets and a multi-energy (ME) LSTM model with an energy embedding layer was trained on either the combined dataset with three energies or a continuous energy (CE) dataset with 1 MeV steps ranging from 125 to 200 MeV. For each model, training and validation involved 25 patients and 10 patients were for testing. Two single field uniform dose prostate treatment plans were optimized and recalculated with MC and the CE model.Results.Test results of all PBs from the three SE models showed a mean gamma passing rate (2%/2 mm, 10% dose cutoff) above 99.9% with an average center-of-mass (COM) discrepancy below 0.4 mm between predicted and simulated trajectories. The ME model showed a mean gamma passing rate exceeding 99.8% and a COM discrepancy of less than 0.5 mm at the three energies. Treatment plan recalculation by the CE model yielded gamma passing rates of 99.6% and 97.9%. The inference time of the models was 9-10 ms per PB.Significance.LSTM models for proton dose calculation in a magnetic field were developed and showed promising accuracy and efficiency for prostate cancer patients.

Study on the Bearing Structure of Key Strata and the Linkage Evolution Mechanism of Surface Subsidence in Shallow Coal Seam Mining

Shallow coal seam mining results in the formation of various bearing structures in key strata, leading to varying degrees of surface subsidence and severe disruption to the surface ecological environment. To investigate the coupled evolution characteristics of key strata fracture-bearing structures and surface subsidence in shallow coal seam mining, with a focus on the 1–2 coal seam mining at Longhua Coal Mine in northern Shaanxi as the research background, this study employed physical similarity simulation to establish the correlation between key strata fracture-bearing structures and surface subsidence. The study also utilized theoretical calculations to develop models for the trapezoidal hinged arch structure and the coupling between key strata-bearing structures and surface subsidence. Mechanical properties of bearing structures and the coupled evolution characteristics of surface subsidence were examined, and the scientific validity of the models was verified through field monitoring. The research reveals that the inclined section of the working face in shallow coal seam mining forms a trapezoidal hinged arch structure, where stress transmission actually resembles an arch shape. Based on the fracture characteristics of rock strata, this structure can be categorized into three types: a full-trapezoidal hinged arch structure, a semi-trapezoidal hinged arch structure, and a trapezoidal-like hinged arch structure. A mechanical calculation model for the trapezoidal hinged arch structure was constructed, and the mechanical calculation formula for this structure was derived based on mechanical equilibrium conditions. Using a masonry beam mechanical model, the formula for calculating the subsidence of key blocks in the key strata fracture was obtained. Based on the “masonry beam” mechanical model, a formula was derived to calculate the subsidence of key blocks in fractured key strata. The relationship between key strata-bearing structures and surface subsidence curves was analyzed, leading to the development of a calculation model for both. This model reveals the coupled evolution between rock movement and surface subsidence. Field measurements indicate a maximum surface subsidence of 1.93 m, with a subsidence coefficient of 0.65, showing that the surface helps suppress and reduce the overall subsidence.

A new calculation method for the response of active-passive bridge piles considering pile-soil interface friction

The pile foundation of bridges under unregulated surcharge loads experiences a complex force pattern, which is subject to active loads and passive loads. In this paper, a more comprehensive calculation method for the response of active-passive piles was proposed, which considered the effect of pile-soil interface friction and soil stress states on the passive loads. First, the Ito theory was improved by adopting the adhesion c a and external friction angle φ a to characterize the pile-soil interface friction. Then, the soil around the pile in elastic, elastoplastic, and plastic flow states was considered to calculate the variation of the passive load. Finally, a nonlinear p-y curve was introduced to establish the calculation model of active-passive piles, and the finite difference program CPAPP was prepared for the solution. The results show that the pile response calculated by CPAPP is consistent with the field measurement, indicating that the proposed calculation method has high accuracy. When the soil is in an elastic state, the pile-soil interface friction does not affect the passive load. When the soil is in a plastic state, the passive load is closely related to soil strength parameters and pile-soil interface friction parameters.

Pd-Co Supported on Anodized Aluminium for VOCs Abatement: Reaction Mechanism, Kinetics and Applicability as Monolithic Catalyst

It has been found out that Pd-Co-based catalyst, supported on anodized aluminum, possesses very high activity in combustion reactions of C1–C6 alkanes and toluene. The catalyst characterization has been made by N2-pysisorption, XRD, SEM, XPS, FTIR, TEM, and EPR methods. In view of the great interest, methane combustion was investigated in detail. It is ascertained that the complete oxidation of methane proceeds by dissociative adsorption on PdO and formation of hydroxyl and methyl groups, the former being highly reactive, and it undergoes further reaction to oxygen-containing intermediates, whereupon HCHO is one of them. The presence of Co2+ cations promotes greatly oxygen adsorption. The dissociative adsorption is favored on neighboring Co2+ cations, leading to the formation of bridging peroxides. Further, the oxygen dissociates on the nearest Pd2+ cations. According to the results from the experimental data, instrumental methods, and the observed kinetics and DFT model calculations, it can be concluded that the reaction pathway over Pd+Co/anodic alumina support (AAS) catalyst proceeds most probably through Mars–van Krevelen. The obtained data on the kinetics were used for simulation of the methane combustion in a full-scale adiabatic reactor.

Bubble deformation characteristics and the effect on particle removal efficiency in wet scrubbers

Single-bubble formation and rise are fundamental to the prediction of decontamination factors (DF) under the complex hydrodynamics of bubble flow and the gas–liquid flow pattern. However, bubbles in the water for particle control are not always perfectly spherical or ellipsoidal. To date, studies of bubble washing for particle removal have mainly focused on models with simple spherical and ellipsoidal shapes or the impact of operating parameters on removal efficiency. No attempt has been reported in the literature to determine the effect of bubble shape on particle removal efficiency. An investigation of the influence of bubble deformation during the bubble rising period was carried out using a high-speed camera and image analysis techniques to study the bubble shape. The experimental results show that the deformation of a bubble is directly correlated with its rising velocity, rising tail, equivalent radius and residence time. These parameters are generally estimated using ideal values, which are crucial for the accuracy of efficiency calculation model results. SPARC-90 code is an important scrubbing modelling tool developed for prediction of bubble hydrodynamics and the corresponding aerosol retention behavior. The potential for particle removal with a single rising deformed bubble was recently determined using a prototype of the SPARC-90 code with the experimental results. The results of SPARC-90 calculations with various equivalent diameters obtained in this experiment have provided more accurate decontamination factors compared to those obtained with a round bubble and a default bubble diameter.

Statistical Modeling and Probable Calculation of the Strength of Materials with Random Distribution of Surface Defects

Based on the solutions of deterministic fracture mechanics and the methods of probability theory, the algorithm for calculating the probabilistic strength characteristics of plate elements of structures with an arbitrary stochastic distribution of surface defects is outlined. On the plate surface, there are uniformly distributed cracks that do not interact with each other, the plane of which is normal to the surface, and the depth is much less than its length on the surface. The cracks’ depth and angle of orientation are random values, and their joint distribution density is specified. Plates made of this material are under the influence of biaxial loading. The probability of failure, along with the mean value, the dispersion, and the variation coefficient of the plate’s strength, taking into account the surface defects under different types of stress, were determined. Their dependence on the type of loading, the size of the plate, and the surface structural heterogeneity of the material were studied graphically. Joint consideration of the influence of the interrelated properties of real materials, such as defectiveness and stochasticity, on strength and fracture, opens up new opportunities in creating a theory of strength and fracture of deformable solids.

The study of the calculation method of the triboelectric rate of particles and surface materials at different collision velocities

In this paper, a triboelectric rate calculation model based on the relative collision velocity between the material and the particle is put forward. The model demonstrates distinct trends of the triboelectrification rate's increase with velocity, ranging from a 9/5 power to a linear function increase. Meanwhile, a test system is devised to simulate the high-speed collision process between ions and materials, and the derived model is validated through experiments.

A temperature rise calculation model of wind turbine gearbox gear considering crack fault and tooth number difference

AbstractThe crack fault of gear is usually accompanied by temperature rise. Therefore, to master the temperature characteristics of the cracked gear of the wind turbine gearbox, a temperature rise calculation model of wind turbine gearbox gear considering crack fault and tooth number difference is proposed. Firstly, the time‐varying meshing stiffness model of the cracked gear considering the tooth number difference is established based on the potential energy method. Secondly, the calculation method of the meshing surface normal load of the cracked gear is deduced. Thirdly, the temperature rise calculation model of the meshing surface of the cracked gear is constructed based on Blok flash temperature theory. Finally, the data of the high‐speed gear of a wind turbine gearbox in northern China is selected for simulation verification. By comparing with the finite element method, the effectiveness of the proposed method is verified. The simulation results reveal the gear temperature characteristics of the wind turbine gearbox with different crack ratios. The research can provide some theoretical support for the accurate fault diagnosis and maintenance of wind turbine gearbox, and can also be applied to the fault diagnosis of gear cracks in other mechanical structures with a large transmission ratio.

Modal analysis of key components of crusher based on digital simulation technology

The modal characteristics of the crusher rotor and shell constitute the crucial factors influencing vibration and noise. Based on the principle of simplification, the rotor component model was established. Through mesh optimization, the model accuracy and calculation efficiency can be ensured, and the calculation of natural frequency and modal shapes was completed based on ANSYS. To verify the accuracy of the finite element model, the modal test was carried out by the hammering method. Sensors were set in three different directions to obtain the frequency response function and the modal assurance criterion matrix mode confidence criterion. Using the same research method, the modal characteristics of the shell model were simulated and analyzed. The research results show that the modal parameters identified by the modal test are basically consistent with the simulation model. The natural frequencies of the rotor and the shell are quite different from the excitation frequency of the motor, and resonance problems will not occur when the crusher is proper functioning.

Strangeness production in sNN\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\sqrt{s_{\ extrm{NN}}} $$\\end{document} = 3 GeV Au+Au collisions at RHIC

We report multi-differential measurements of strange hadron production ranging from mid- to target-rapidity in Au+Au collisions at a center-of-momentum energy per nucleon pair of sNN\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\sqrt{s_{\ extrm{NN}}} $$\\end{document} = 3 GeV with the STAR experiment at RHIC. KS0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {K}_S^0 $$\\end{document} meson and Λ hyperon yields are measured via their weak decay channels. Collision centrality and rapidity dependences of the transverse momentum spectra and particle ratios are presented. Particle mass and centrality dependence of the average transverse momenta of Λ and KS0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {K}_S^0 $$\\end{document} are compared with other strange particles, providing evidence of the development of hadronic rescattering in such collisions. The 4π yields of each of these strange hadrons show a consistent centrality dependence. Discussions on radial flow, the strange hadron production mechanism, and properties of the medium created in such collisions are presented together with results from hadronic transport and thermal model calculations.

Electron Transfer Capability in Atomic Hydrogen Reactions for Imidazole Groups Bound to the Insulating Alkanethiolate Layer on Au(111).

The charge transfer capability associated with chemical reactions at metal-organic interfaces was studied via the atomic H addition reaction for an imidazole-terminated alkanethiolate self-assembled monolayer (Im-SAM) film on Au(111) at room temperature, using near-edge X-ray absorption fine structure spectroscopy, infrared reflection absorption spectroscopy, work function measurements, and density functional theory calculations. The imidazolium cation is a stable species in liquids; therefore, it is pertinent to determine whether the hydrogenation reactions of the imidazole groups produce imidazolium cations accompanied by electron transfer to the Au substrate, even in the absence of solvate and/or counterions on the insulating alkanethiolate layer. The experiments made it clear that the imidazolium moieties were formed during the irradiation of Im-SAM with atomic H. Theoretical model calculations also revealed that the total energies and molecular orbital levels satisfied the imidazolium cation formation associated with electron transfer. In a detailed analysis of the work function change depending on H irradiation, we confirmed that some of the imidazolium radicals became cations in Im-SAM.

Magnetic polarizability of octet baryons via lattice QCD

Drawing on recent advances in lattice QCD background-field techniques, the magnetic polarizability of octet baryons is calculated from the first principles of QCD. The results are presented in the context of new constituent quark model calculations providing a framework for understanding the lattice results and a direct comparison with simulation results at unphysical quark masses. Using smeared quark sources, low-lying Laplacian eigenmode projection and final-state Landau-mode projection, considerable attention is devoted to ensuring single-state isolation in the lattice correlation functions. We also introduce new weighting methods to reduce the sensitivity to correlation-function fits, averaging over many fits based on merit drawn from the full correlated χ2 of the fits. The techniques are implemented on the 323×64, 2+1-flavor dynamical-fermion lattices provided by the PACS-CS Collaboration following the introduction of uniform magnetic fields quantized to the lowest nontrivial values available. After some scaling of the constituent quark model parameters, we find the model captures the patterns observed in the lattice QCD results very well, providing important insights into the physics underpinning the magnetic polarizabilities. Finally, comparison with the most recent results from experiment proceeds through an effective field theory formalism which incorporates estimates of finite-volume corrections and small electroquenching corrections as the results are brought to the physical point. We find excellent agreement with experiment where available, including the proton and neutron polarizabilities. Published by the American Physical Society 2024

Complexity analysis of air traffic based on complex networks under TBO mode

Since the complex network constructed according to the unified separation standard does not take into account the differences in the operation of aircraft types, it cannot meet the refined requirements of air traffic complexity analysis under trajectory based operation (TBO). To solve this problem, an air traffic complexity analysis model based on complex networks to distinguish different aircraft types is proposed. Firstly, a calculation model for lateral flight safety intervals of different aircraft types is established, an aircraft precise protection zone is constructed, and the basis for determining the aircraft connection in the flight conflict network is optimized. On the basis of considering information such as aircraft heading and speed, flight conflict judgment pays attention to the different performance and status of aircraft, so that the flight conflict network can be closer to the operation mode of TBO. Through experimental simulation of the TBO operation environment and verification using radar data from Gaoqi Airport, the results show that compared with the previous flight conflict network, the model can refine the horizontal separation standards between aircraft, reduce the complexity of the airspace, reduce the workload of controllers, and improve the operation efficiency of the airspace, and provide more space for aircraft to autonomously select the optimal trajectory.

Fatigue life prediction of film-cooling Hole specimens with initial damage

This study investigates a Nickel-based single crystal (SX) superalloy with femtosecond laser-drilled film-cooling holes (FCHs) under varying temperatures (room temperature, 850 °C, and 980 °C), employing a novel framework for predicting fatigue life based on initial manufacturing damage quantification. For all tested anisotropic SX superalloy specimens (including smooth and FCH specimens), the initial damage state is characterized as an equivalent initial flaw size (EIFS), and an EIFS calculation model considering stress concentration is established. Subsequently, the fatigue crack paths and microstructural characteristics of the FCH specimens at different temperatures are analyzed, elucidating crack initiation mechanisms and propagation patterns. A novel incremental plasticity J-integral driving force for fatigue crack propagation is introduced. By incorporating the closure effect of small crack propagation and employing Markov Chain Monte Carlo simulations for determining crack growth rate probabilities, a more accurate expression for the crack growth rate in relation to ΔJfat − ΔJth is derived. This expression comprehensively captures crack patterns on crystallographic planes and Type I mixed mode behavior. Finally, the total fatigue life of the FCH structures, featuring a threefold dispersion zone in both room and high-temperature environments, is predicted through experimental observations and description of crack growth rates. The predicted outcomes significantly outperform those of the conventional life prediction models reliant on crystal plasticity theory.

Radiative acceleration calculation methods and abundance anomalies in Am stars

Atomic diffusion with radiative levitation is a major transport process to consider to explain abundance anomalies in Am stars. Radiative accelerations vary from one species to another, yielding different abundance anomalies at the stellar surface. Radiative accelerations can be computed using different methods: some evolution codes use an analytical approximation, while others calculate them from monochromatic opacities. We compared the abundance evolutions predicted using these various methods. Our models were computed with the Toulouse-Geneva evolution code, in which both an analytical approximation (the single-valued parameter method) and detailed calculations from Opacity Project (OP) atomic data are implemented for the calculation of radiative accelerations. The time evolutions of the surface abundances were computed using macroscopic transport processes that are able to reproduce observed Am star surface abundances in presence of atomic diffusion, namely an ad hoc turbulent model or a global mass loss. The radiative accelerations obtained with the various methods are globally in agreement for all the models below the helium convective zone, but can be much greater between the bottom of the hydrogen convective zone and that of helium. The time evolutions of the surface abundances mostly agree within the observational error, but the abundance of some elements can exceed this error for the least massive mass-loss model. The gain in computing time from using analytical approximations is significant compared to sequential calculations from monochromatic opacities for the turbulence models and for the least massive wind model; the gain is small otherwise. Test calculations of turbulence models with the tabulated OPAL opacities yield quite similar abundances as OP for most elements but in a much shorter time, meaning that determining Am star parameters can be done using a two-step method.