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At least 55 records · Page 3

ClimGen: Learning the Forcing-Response Relationship in Climate System

Solar Radiation Management (SRM) is emerging as a potential geoengineering strategy to address the anthropogenic impact on climate, but its effective implementation requires an iterative and large ensemble of highly accurate and efficient climate projections. Traditional climate projections rely on executing computationally demanding and time-consuming numerical climate models. Recent advances in machine learning (ML) aim to enhance these approaches by emulating traditional methods. In this work, we propose a novel framework for directly learning the relationship between solar radiation flux at the top of the atmosphere and the corresponding surface temperature response. To evaluate the feasibility of this direct ML-based projection, we developed a dataset using an intermediate complexity model, incorporating a comprehensive suite of different forcing patterns and evaluation metrics to rigorously assess the ML model’s performance. We introduce a Conditional Denoising Diffusion Probabilistic Model (cDDPM) for this task, which demonstrates encouraging skill in representing climate statistics under previously unseen forcing patterns. This approach provides a promising pathway for direct climate projections by accurately learning the forcing-response relationship, with a wide range of applications in impact mitigation, emissions policy design, and SRM strategies.

Chen, Tse-Chun [BATTELLE (PACIFIC NW LAB)] (ORCID:↗

A study of plasmaspheric density distributions for diffusive equilibrium conditions

The plasmaspheric density distribution has been modeled for a range of solar cycle, seasonal and diurnal conditions with a magnetic flux tube dependent diffusive equilibrium model by using experimentally determined values of ionospheric parameters at 675 km as boundary conditions. Data is presented in terms of plasmaspheric H(+) and He(+) density contours, total flux tube content, and equatorial plasma density for a range of L-values from 1.15 to 3.0. The variation of equatorial density with L-value shows good agreement with the 1/L exp 4 dependence observed experimentally. The results show that the model predicts larger solar cycle and diurnal variation in equatorial plasma density than observed using whistler techniques. However, the whistler method requires a model to deduce the equatorial density and is therefore open to interpretation. Seasonal variations are rather artificial since in this general model no attempt has been made to match equatorial densities for flux tubes emanating from the winter and summer hemispheres.

Li, W.↗

An a priori DNS study of the shadow-position mixing model

In this study, the modeling of mixing by molecular diffusion is a central aspect for transported probability density function (tPDF) methods. In this paper, the newly-proposed shadow position mixing model (SPMM) is examined, using a DNS database for a temporally evolving di-methyl ether slot jet flame. Two methods that invoke different levels of approximation are proposed to extract the shadow displacement (equivalent to shadow position) from the DNS database. An approach for a priori analysis of the mixing-model performance is developed. The shadow displacement is highly correlated with both mixture fraction and velocity, and the peak correlation coefficient of the shadow displacement and mixture fraction is higher than that of the shadow displacement and velocity. This suggests that the composition-space localness is reasonably well enforced by the model, with appropriate choices of model constants. The conditional diffusion of mixture fraction and major species from DNS and from SPMM are then compared, using mixing rates that are derived by matching the mixture fraction scalar dissipation rates. Good qualitative agreement is found, for the prediction of the locations of zero and maximum/minimum conditional diffusion locations for mixture fraction and individual species. Similar comparisons are performed for DNS and the IECM (interaction by exchange with the conditional mean) model. The agreement between SPMM and DNS is better than that between IECM and DNS, in terms of conditional diffusion iso-contour similarities and global normalized residual levels. It is found that a suitable value for the model constant c that controls the mixing frequency can be derived using the local normalized scalar variance, and that the model constant a controls the localness of the model. A higher-Reynolds-number test case is anticipated to be more appropriate to evaluate the mixing models, and stand-alone transported PDF simulations are required to more fully enforce localness and to assess model performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of a diffusive wave shallow water model with a novel stability condition and other new features

Traditionally, one of the approaches to flood modelling is numerical simulation of the diffusive wave approximation of the shallow water equations. Improving these models in various aspects is still an open area of research. In this study, a new diffusive wave model with explicit time integration was developed which includes some novel features: (1) time steps are determined using a novel stability criterion which resulted in more dynamic time steps (i.e., broader range) compared to the conventional Courant-Friedrichs-Lewy stability condition; (2) stability constraints are reduced, considering the flow processes within surface ponds; (3) besides Manning's formula, which is the common equation for computing velocities in diffusive wave models, the free fall velocity and a new equation for wave-front velocity are employed; and (4) the influence of upstream surface ponds on downstream flow is considered. This paper introduces the enhanced diffusive wave model, the socalled Overland Flow Simulator Cellular Automata (OFS-CA), and its results for five test cases. Available analytical solutions and an experimental study were used for verification. Two other shallow water models were used for comparison and benchmarking. Overall, good agreements were observed and OFS-CA was computationally less expensive compared to the other two shallow water models.

42 ENGINEERING↗

Moisture ingress into electronics enclosures under isothermal conditions

The number of electronics used in outdoor environment is constantly growing. The humidity causes about 19 % of all electronics failures and, especially, moisture increases these problems due to the ongoing process of miniaturization and lower power consumption of electronic components. Moisture loads are still not understood well by design engineers, therefore this field has become one of the bottlenecks in the electronics system design. The objective of this paper is to model moisture ingress into an electronics enclosure under isothermal conditions. The moisture diffusion model is based on a 1D quasi-steady state (QSS) approximation for Fick’s second law. This QSS approach is also described with an electrical analogy which gives a fast tool in modelling of the moisture response. The same QSS method is applied to ambient water vapour variations. The obtained results are compared to an analytical solution and very good agreement is found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Computer simulation of impurity diffusion in silicon, part 1

The elementary classical models for idealized diffusion conditions are described, and the principles are then used in developing more realistic models. The practical models require some type of numerical analysis. The numerical techniques are outlined and details concerning their implementation are given. Some results are presented which were obtained with the computer programs implementing the numerical techniques with implicit and explicit methods. Special problems of impurity-rich interlayers forming between an oxide and silicon are considered. A set of computed curves for sheet resistance, junction depth, and oxide thickness for different diffusion schedules is included.

Gassaway, J. D.↗

Towards universal unfolding of detector effects in high-energy physics using denoising diffusion probabilistic models

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability, flexibility, and dependence on simulations. We introduce a novel approach to multidimensional object-wise unfolding using conditional Denoising Diffusion Probabilistic Models (cDDPM). Our method utilizes the cDDPM for a non-iterative, flexible posterior sampling approach, incorporating distribution moments as conditioning information, which exhibits a strong inductive bias that allows it to generalize to unseen physics processes without explicitly assuming the underlying distribution. Our results highlight the potential of this method as a step towards a "universal" unfolding tool that reduces dependence on truth-level assumptions, while enabling the unfolding of a wide range of measured distributions with improved adaptability and accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling the diffusion of heat energy within composites of homogeneous materials using the uncertainty principle

The goal of this paper is to develop a highly accurate and efficient numerical method for the solution of a time-dependent partial differential equation with a piecewise constant coefficient, on a finite interval with periodic boundary conditions. The resulting algorithm can be used, for example, to model the diffusion of heat energy in one space dimension, in the case where the spatial domain represents a medium consisting of two homogeneous materials. The resulting model has, to our knowledge, not yet been solved in closed form through analytical methods, and is difficult to solve using existing numerical methods, thus suggesting an alternative approach. The approach presented in this paper is to represent the solution as a linear combination of wave functions that change frequencies at the interfaces between different materials. It is demonstrated through numerical experiments that using the Uncertainty Principle to construct a basis of such functions, in conjunction with a spectral method, a mathematical model for heat diffusion through different materials can be solved much more efficiently than with conventional time-stepping methods.

97 MATHEMATICS AND COMPUTING↗

Turbulence radiation coupling in boundary layers of heavy-duty diesel engines

The lack of accurate submodels for in-cylinder radiation and heat transfer has been identified as a key shortcoming in developing truly predictive, physics-based computational fluid dynamics (CFD) models that can be used to develop combustion systems for advanced high-efficiency, low-emissions engines. Recent measurements of wall layers in engines show discrepancies of up to 100% with respect to standard CFD boundary-layer models. And recent analysis of in-cylinder radiation based on the most recent spectral property databases and high-fidelity radiative transfer equation (RTE) solvers has shown that at operating pressures and exhaust-gas recirculation levels typical of modern heavy-duty compression-ignition engines, radiative emission can be as high as 40% of the wall heat losses, that molecular gas radiation (mainly CO2 and H2O) can be more important than soot radiation, and that a significant fraction of the emitted radiation can be reabsorbed before reaching the walls. That is, radiation not only contributes to heat losses, but also changes the in-cylinder temperature distribution, which in turn affects combustion and emissions. The goal of this research is to develop models that explicitly account for the potentially strong coupling between radiative and turbulent boundary layer heat transfer. For example, for optically thick conditions, a simple diffusion model might be formulated in terms of an absorption-coefficient-dependent turbulent Prandtl number.

Sircar, Arpan↗

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗

Thermodynamic and Diffusion Model Estimates on Metamorphic Temperatures and Timescales for Basaltic Eucrite GRA 98098

Introduction: HED meteorites are thought to rep-resent igneous rocks from Vesta’s basaltic crust and preserve evidence of early crustal metamorphism. Determining the temperatures and timescales of thermal metamorphism is important for reconstructing crustal evolution in the early solar system. Here, we study basaltic eucrite Graves Nunataks (GRA) 98098, which has been identified as a highly metamorphosed eucrite [1]. We present new estimates on metamorphic temperatures determined via thermodynamic modeling as well as the initial results from diffusion models constraining timescales of thermal metamorphism. Sample Description: GRA 98098 is an unbrecciated eucrite with a granoblastic plagioclase and pyroxene mineralogy. Millimeter to cm-long lathes of tridymite cross-cut and poikilitically enclose plagioclase and pyroxene [1,this work]. Pyroxene grains have exsolved into Ca-rich (~Wo38En29Fs33) and Ca-poor (~Wo4.5En36Fs59.5) lamellae. Both unzoned and zoned plagioclase grains are observed. Unzoned plagioclase grains are found solely with tridymite laths. These grains have ~An92 compositions. The cores of the zoned plagioclase grains have the same composition and thin, relatively sodic rims (~An67), (Fig. 1). The bulk sample is unusually enriched in highly in-compatible elements and has one of the most fractionated REE patterns reported [1]. Maximum metamorphic temperatures of 985±78°C have been estimated using two-pyroxene thermometry [2]. Methods: Thermodynamic modeling. Thermodynamic models were constructed using the software Perple_X, which employs a Gibbs free energy minimization in order to determine the most stable phase assemblage for a given bulk rock composition [3]. Bulk composition was calculated using mineral com-positions acquired via EMPA (this study) and the observed abundancies present in the thin section. Two bulk compositions were estimated; 1) includes all phases present in the thin section, (assumes that all phases are present during metamorphism), 2) excludes tridymite from the bulk calculation (assumes that tridymite was not present during metamorphism). In order to determine whether metamorphic equilibria was achieved and estimate temperatures of metamorphism, we compared measured pyroxene compositions with thermodynamically predicted compositions [4, Fig. 2]. Diffusion Modeling. Several time-temperature de-pendent diffusion profiles were calculated in order to determine the best match for XAn chemical profiles observed at the edges of the zoned plagioclase (Fig. 3). We assumed that the start condition was a stepwise gradient at the plagioclase/pyroxene interface. We also assumed an average diffusion coefficient (D) and a constant temperature using the equation in [5]. D was determined for two temperatures (T = 1060ºC; near eucrite solidus [6] and T = 985ºC; metamorphism reported in [4]) and then XAn was calculated as a function of distance from plagioclase core to rim using an error function solution to Fick’s second law. Results: Thermodynamic model results are summarized in Fig. 2. For a bulk composition that includes all phases in the thin section, pyroxene endmember compositions plot in the following temperature ranges: Fs ~660-860ºC, En~1000ºC & 1150ºC, and Wo~760-900ºC (Fig. 2a). For a bulk composition that excludes tridymite from the peak metamorphic assemblage (i.e., the bulk composition minus the contribution from tridymite), a temperature range could not be determined for the Fs component of pyroxene. For Wo, T~760-900ºC and En, T~1000ºC & 1150ºC (Fig. 2b). Fig. 3 summarizes the diffusion model results. For T = 1060°C & 985°C, the most appropriate time interval was estimated based on which diffusion curve most matched (solid lines, Fig. 3) the EMPA data. For T = 1060°C, the best looking match was t = 500 ka. For T = 985°C, the best match was t = 7 Ma. Discussion and future work: Temperature estimates from thermodynamic models are not conclusive because the temperature ranges determined for pyroxene endmember stability do not overlap (colored fields in Fig. 2), thus implying that there is disequilibrium between pyroxene crystals and the bulk composition considered [4]. Thus, additional exploration is needed to define a metamorphically equilibrated do-main that accurately records peak temperature. The utility of defining metamorphically equilibrated do-mains to improve the accuracy and level of detail elucidated regarding the petrogenetic history of metamorphose samples has been demonstrated previously [4,7]. We suggest that in the case of Fig. 2a, the thin section composition is not representative of the length scales over which metamorphic equilibrium was achieve and in the case of Fig. 2b, the assumption that tridymite was not present during metamorphism was incorrect. However, results from thermodynamic models can provide insight into the relative timing of mineral and compositional textures. For example from texture alone, it is unclear whether tridymite was igneous in origin and represents the last bits of melt in a crystallizing magma chamber, or if it formed during (and possibly initiated) open system thermal metamorphism. The latter could be consistent with a partial melt hypothesis [8,9] while the former implies that simple fractional crystallization can yield the textures present in GRA 98098. The lack of coincidence be-tween pyroxene endmember compositions in Fig. 2b suggest that the bulk composition minus tridymite was not the assemblage in equilibrium with the pyroxene, suggesting that tridymite was present during metamorphism and formed during igneous crystallization. We conclude that the development of the Na-rich plagioclase rims likely occurred during or immediately after peak thermal metamorphism, because eucrites of similar metamorphic grade and texture have unzoned plagioclase (~An92) [2,4,8], and Na zoning is only observed in the plagioclase not included in the tridymite. This suggests that the zoning formed after tridymite formation, and therefore after igneous crystallization. Thus, the timescales calculated via diffusion modeling possibly represent the time interval over which thermal metamorphism occurred. Cooling rates approximated for the Vestan crust predict that the crust cooled below 300°C around 35-40 Ma after formation[10]. This is consistent with our modeling results that predict formation of the Na rich plagioclase rims occurring at higher temperatures over a period of 0.5 to 7 Ma years. Future work. Additional thermodynamic modeling work will focus on selecting an equilibrated bulk rock domain in which to elucidate metamorphic conditions. Diffusion models currently provide a minimum time-scale, since diffusion slows down as the system cools. Future work with will focus on integrating cooling into the diffusion models and constraining the depth at which thermal metamorphism occurs because it could be used to determine whether the range of time-scales calculated for thermal metamorphism are consistent with the geologic environment.

J S Gorce↗

Exciton quenching at PEDOT:PSS anode in polymer blue-light-emitting diodes

The quenching of excitons at the poly(3,4-ethylenedioxythiophene):poly(styrenesulfonic acid) (PEDOT:PSS) anode in blue polyalkoxyspirobifluorene-arylamine polymer light-emitting diodes is investigated. Due to the combination of a higher electron mobility and the presence of electron traps, the recombination zone shifts from the cathode to the anode with increasing voltage. The exciton quenching at the anode at higher voltages leads to an efficiency roll-off. The voltage dependence of the luminous efficiency is reproduced by a drift-diffusion model under the condition that quenching of excitons at the PEDOT:PSS anode and metallic cathode is of equal strength. Experimentally, the efficiency roll-off at high voltages due to anode quenching is eliminated by the use of an electron-blocking layer between the anode and the light-emitting polymer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A comparison of molecular dynamics and diffuse interface model predictions of Lennard-Jones fluid evaporation

The unsteady evaporation of a thin planar liquid film is studied by molecular dynamics simulations of Lennard-Jones fluid. The obtained results are compared with the predictions of a diffuse interface model in which capillary Korteweg contributions are added to hydrodynamic equations, in order to obtain a unified description of the liquid bulk, liquid-vapor interface and vapor region. Particular care has been taken in constructing a diffuse interface model matching the thermodynamic and transport properties of the Lennard-Jones fluid. The comparison of diffuse interface model and molecular dynamics results shows that, although good agreement is obtained in equilibrium conditions, remarkable deviations of diffuse interface model predictions from the reference molecular dynamics results are observed in the simulation of liquid film evaporation. It is also observed that molecular dynamics results are in good agreement with preliminary results obtained from a composite model which describes the liquid film by a standard hydrodynamic model and the vapor by the Boltzmann equation. The two mathematical model models are connected by kinetic boundary conditions assuming unit evaporation coefficient.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Asymptotically Compatible Reproducing Kernel Collocation and Meshfree Integration for Nonlocal Diffusion

Reproducing kernel (RK) approximations are meshfree methods that construct shape functions from sets of scattered data. We present an asymptotically compatible (AC) RK collocation method for nonlocal diffusion models with Dirichlet boundary condition. The numerical scheme is shown to be convergent to both nonlocal diffusion and its corresponding local limit as nonlocal interaction vanishes. The analysis is carried out on a special family of rectilinear Cartesian grids for a linear RK method with designed kernel support. The key idea for the stability of the RK collocation scheme is to compare the collocation scheme with the standard Galerkin scheme, which is stable. In addition, assembling the stiffness matrix of the nonlocal problem requires costly computational resources because high-order Gaussian quadrature is necessary to evaluate the integral. We thus provide a remedy to the problem by introducing a quasi-discrete nonlocal diffusion operator for which no numerical quadrature is further needed after applying the RK collocation scheme. The quasi-discrete nonlocal diffusion operator combined with RK collocation is shown to be convergent to the correct local diffusion problem by taking the limits of nonlocal interaction and spatial resolution simultaneously. The theoretical results are then validated with numerical experiments. We additionally illustrate a connection between the proposed technique and an existing optimization based approach based on generalized moving least squares.

97 MATHEMATICS AND COMPUTING↗

A finite elements method to solve the Bloch–Torrey equation applied to diffusion magnetic resonance imaging

The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch–Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution at the cell interfaces by using double nodes. Using a transformation of the Bloch–Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge–Kutta–Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ensemble flow reconstruction in the atmospheric boundary layer from spatially limited measurements through latent diffusion models

Due to costs and practical constraints, field campaigns in the atmospheric boundary layer typically only measure a fraction of the atmospheric volume of interest. Machine learning techniques have previously successfully reconstructed unobserved regions of flow in canonical fluid mechanics problems and two-dimensional geophysical flows, but these techniques have not yet been demonstrated in the three-dimensional atmospheric boundary layer. Here, we conduct a numerical analogue of a field campaign with spatially limited measurements using large-eddy simulation. We pose flow reconstruction as an inpainting problem, and reconstruct realistic samples of turbulent, three-dimensional flow with the use of a latent diffusion model. The diffusion model generates physically plausible turbulent structures on larger spatial scales, even when input observations cover less than 1% of the volume. Through a combination of qualitative visualization and quantitative assessment, we demonstrate that the diffusion model generates meaningfully diverse samples when conditioned on just one observation. These samples successfully serve as initial conditions for a large-eddy simulation code. We find that diffusion models show promise and potential for other applications for other turbulent flow reconstruction problems.

17 WIND ENERGY↗

Kinetic modeling of evolution of 3 + 1:Resonance enhanced multiphoton ionization plasma in argon at low pressures

We present numerical kinetic modeling of generation and evolution of the plasma produced as a result of resonance enhanced multiphoton ionization (REMPI) in Argon gas. The particle-in-cell/Monte Carlo collision (PIC/MCC) simulations capture non-equilibrium effects in REMPI plasma expansion by considering the major collisional processes at the microscopic level: elastic scattering, electron impact ionization, ion charge exchange, and recombination and quenching for metastable excited atoms. The conditions in one-dimensional (1D) and two-dimensional (2D) formulations correspond to known experiments in Argon at a pressure of 5 Torr. The 1D PIC/MCC calculations are compared with the published results of local drift-diffusion model, obtained for the same conditions. It is shown that the PIC/MCC and diffusion-drift models are in qualitative and in reasonable quantitative agreement during the ambipolar expansion stage, whereas significant non-equilibrium exists during the first few 10 s of nanoseconds. 2D effects are important in the REMPI plasma expansion. The 2D PIC/MCC calculations produce significantly lower peak electron densities as compared to 1D and show a better agreement with experimentally measured microwave radiation scattering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗