Gradient Flow Research Articles

The SU(3)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${\ extrm{SU}}(3)$$\\end{document} twisted gradient flow strong coupling without topological freezing

We investigate the role of topology on the lattice determination of the SU(3)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${\ extrm{SU}}(3)$$\\end{document} strong coupling renormalized via gradient flow. To deal with the topological freezing of standard local algorithms, the definition of the coupling is usually projected onto the zero topological sector. However, it is not obvious that this definition is not biased by the loss of ergodicity. We instead avoid the topological freezing using a novel algorithm, the Parallel Tempering on Boundary Conditions. The comparison with a standard algorithm shows that, even in the case where the latter is severely frozen, one obtains the same projected coupling. Moreover, we show that the two definitions of the coupling, projected and non-projected, lead to the same flow of the renormalization scale. Our results imply that projecting the coupling does not affect the determination of the dynamically-generated scale of the theory Λ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\varLambda $$\\end{document}, as obtained through the step-scaling method.

Gradient flows of generalized relative entropy and functional inequalities on graphs

We derive the discrete forms of the porous medium equation and fast diffusion equation with drift terms on a finite graph as gradient flows of the m-relative entropy, with the global existence of solutions. We show the Łojasiewicz inequality to prove the convergence of solutions and some important functional inequalities. More specifically, the Łojasiewicz inequality holds near the stationary solution with exponent 12, which leads to the exactly exponential convergence rate with a finite trajectory length. It can also be applied to show the Talagrand-type inequality and the log-Sobolev-type inequality directly.

Difference in Cardiac Response after Transcatheter Aortic Valve Implantation according to Flow and Gradient Pattern.

In patients undergoing transcatheter aortic valve implantation (TAVI) for severe aortic stenosis (AS), data on the differences in subsequent cardiac structure and function among stratified groups with flow gradient patterns through the aortic valve are insufficient. In this large multicenter study, 4,523 patients undergoing TAVI for severe AS between 2013 and 2019 were divided into 3 groups according to the following criteria: (1) high-gradient AS (HG-AS) (mean pressure gradient [MPG] ≥40 mmHg), (2) classical low-flow low-gradient AS (cLFLG-AS) (MPG <40 mmHg, left ventricular [LV] ejection fraction [LVEF] <50%), and (3) paradoxical low-flow low-gradient AS (pLFLG-AS) (MPG <40 mmHg, LVEF ≥50% but stroke volume index [SVi] <35 mL/m2). Echocardiography was performed at baseline, post-procedure, and 1 year post-TAVI. 3,697, 507, and 319 patients had HG-AS, cLFLG-AS, and pLFLG-AS, respectively. After adjusting for clinical factors, cLFLG-AS and pLFLG-AS had an approximately 1.5-fold higher 2-year all-cause mortality compared with HG-AS. During 1 year following TAVI, compared with HG-AS, cLFLG-AS showed greater reduction of LV systolic diameter (LVDs) and LV diastolic diameter (LVDd) and greater increase of LVEF (p<0.001 for all), and changes in LV mass index (LVMi) and SVi were comparable (p=0.915 and p=0.821, respectively). However, pLFLG-AS demonstrated less reduction of LVDs and LVDd (p=0.039 and p=0.001, respectively), less improvement of LVEF and LVMi (p=0.045 and p<0.001, respectively), and comparable change in SVi (p=0.364). During 1 year post-TAVI, compared with HG-AS, cLFLG-AS achieves smaller LV diameters, greater increase in LVEF, and comparable regression of LVMi, whereas pLFLG-AS does not.

An updated terrestrial heat flow data set for the Junggar basin, northwest China: implications for geothermal resources

SUMMARY Terrestrial heat flow plays a vital role in determining the present thermal regimes of sedimentary basins, offering a robust foundation for understanding hydrocarbon maturation processes and the geothermal resource potential. The Junggar basin is one of the largest and most petroliferous superimposed petroleum basins in China. However, research on heat flow is scarce. In this study, 94 new high-quality heat flow values are derived from through borehole temperature analysis and thermal conductivity measurements of rocks. The results indicate that (1) the geothermal gradient in the basin varies from 11.4 to 28.3 °C km−1, with a mean value of 20.9 ± 3.4 °C km−1, and the heat flow varies from 23.4 to 64.5 mW m−2, with a mean value of 45.1 ± 8.4 mW m−2. The overall low geothermal gradient and heat flow are attributed to the continuous cooling during the Meso-Cenozoic. (2) At basin scale, the high heat flow values are primarily concentrated in areas characterized by basement uplift, whereas the low heat flow values are mainly located in the depressions. This suggests that thermal refraction is the primary factor influencing the heat flow variations. (3) Although large-scale development and utilization of geothermal resources face challenges, certain local areas in the basin show promise for geothermal resource utilization.

Flows of geometric structures

Abstract We develop an abstract theory of flows of geometric 𝐻-structures, i.e., flows of tensor fields defining 𝐻-reductions of the frame bundle, for a closed and connected subgroup H ⊂ SO ⁢ ( n ) H\subset\mathrm{SO}(n) , on any connected and oriented 𝑛-manifold with sufficient topology to admit such structures. The first part of the article sets up a unifying theoretical framework for deformations of 𝐻-structures, by way of the natural infinitesimal action of GL ⁢ ( n , R ) \mathrm{GL}(n,\mathbb{R}) on tensors combined with various bundle decompositions induced by 𝐻-structures. We compute evolution equations for the intrinsic torsion under general flows of 𝐻-structures and, as applications, we obtain general Bianchi-type identities for 𝐻-structures, and, for closed manifolds, a general first variation formula for the L 2 L^{2} -Dirichlet energy functional ℰ on the space of 𝐻-structures. We then specialise the theory to the negative gradient flow of ℰ over isometric 𝐻-structures, i.e., their harmonic flow. The core result is an almost-monotonocity formula along the flow for a scale-invariant localised energy, similar to the classical formulas by Chen–Struwe [M. Struwe, On the evolution of harmonic maps in higher dimensions, J. Differential Geom. 28 (1988), 3, 485–502; Y. M. Chen and M. Struwe, Existence and partial regularity results for the heat flow for harmonic maps, Math. Z. 201 (1989), 1, 83–103] for the harmonic map heat flow. This yields an 𝜀-regularity theorem and an energy gap result for harmonic structures, as well as long-time existence for the flow under small initial energy, relative to the L ∞ L^{\infty} -norm of initial torsion, in the spirit of Chen–Ding [Y. M. Chen and W. Y. Ding, Blow-up and global existence for heat flows of harmonic maps, Invent. Math. 99 (1990), 3, 567–578]. Moreover, below a certain energy level, the absence of a torsion-free isometric 𝐻-structure in the initial homotopy class imposes the formation of finite-time singularities. These seemingly contrasting statements are illustrated by examples on flat 𝑛-tori, so long as the set [ S n , SO ⁢ ( n ) / H ] [\mathbb{S}^{n},\mathrm{SO}(n)/H] of homotopy classes of maps S n → SO ⁢ ( n ) / H \mathbb{S}^{n}\to\mathrm{SO}(n)/H contains more than one element and the universal cover of SO ⁢ ( n ) / H \mathrm{SO}(n)/H is a sphere, e.g. when n = 7 n=7 and H = G 2 H=\mathrm{G}_{2} , or n = 8 n=8 and H = Spin ⁢ ( 7 ) H=\mathrm{Spin}(7) .

Stability of the logarithmic Sobolev inequality and uncertainty principle for the Tsallis entropy

We consider the stability of the functional inequalities concerning the entropy functional. For the Boltzmann–Shannon entropy, the logarithmic Sobolev inequality holds as a lower bound of the entropy by the Fisher information, and the Heisenberg uncertainty principle follows from combining it with the Shannon inequality. The optimizer for these inequalities is the Gauss function, which is a fundamental solution to the heat equation. In the fields of statistical mechanics and information theory, the Tsallis entropy is known as a one-parameter extension of the Boltzmann–Shannon entropy, and the Wasserstein gradient flow of it corresponds to the quasilinear diffusion equation. We consider the improvement and stability of the optimizer for the logarithmic Sobolev inequality related to the Tsallis entropy. Furthermore, we show the stability results of the uncertainty principle concerning the Tsallis entropy.

Step-by-step solving virtual element schemes based on scalar auxiliary variable with relaxation for Allen–Cahn-type gradient flows

In this paper, we consider integrating the scalar auxiliary variable time discretization with the virtual element method spatial discretization to obtain energy-stable schemes for Allen–Cahn-type gradient flow problems. In order to optimize CPU time during calculations, we propose two step-by-step solving SAV algorithms by introducing a novel auxiliary variable to replace the original one. Then, linear, decoupled, and unconditionally energy-stable numerical schemes are constructed. However, due to truncation errors, the auxiliary variable is not equivalent to the continuous case in the original definition. Therefore, we propose a novel relaxation technique to preserve the original energy dissipation rule. It not only retains all the advantages of the above algorithms but also improves accuracy and consistency. Finally, a series of numerical experiments are conducted to demonstrate the effectiveness of our method.

Parametric analysis of reverse electrodialysis process for improved power generation: Influence of spacer thickness, feed solution flow rate, membrane, and concentration

Reverse electrodialysis (RED) technology produces electrical energy from a salinity gradient by transporting ions through ion-exchange membranes (IEM). Although research into this technology has recently seen considerable growth, there is still interest in improving its efficiency. As a result, a mathematical model to study the RED process was developed using Aspen Custom Modeler software, focusing on three membranes (Fumasep (FAD/FKD), Fujifilm Type 10, and Selemion (AMV/CMV)). A parametric analysis was conducted, considering spacer thickness, salinity gradient, and feed-solution flow rates. Evaluation of internal resistance, gross power density, and net power density was also performed. Results showed that using a thicker spacer (270 μm) in the high compartment and a thinner spacer (150 μm) with a high Reynolds number in the low compartment led to higher net power densities of 2.17 W·mcp−2 and 6.74 W·mcp−2 for Fumasep (FAD/FKD) membrane with (brackish/seawater) and (brackish/brine), respectively. Among the membranes tested, Fumasep (FAD/FKD) and Fujifilm Type 10 had similar results, with the former slightly exceeding the latter. However, the Selemion membrane (AMV/CMV) performed poorly in all tests.

Gradient conducting polymer surfaces with netrin-1-conjugation promote axon guidance and neuron transmission of human iPSC-derived retinal ganglion cells

Major advances have been made in utilizing human-induced pluripotent stem cells (hiPSCs) for regenerative medicine. Nevertheless, the delivery and integration of hiPSCs into target tissues remain significant challenges, particularly in the context of retinal ganglion cell (RGC) restoration. In this study, we introduce a promising avenue for providing directional guidance to regenerated cells in the retina. First, we developed a technique for construction of gradient interfaces based on functionalized conductive polymers, which could be applied with various functionalized ehthylenedioxythiophene (EDOT) monomers. Using a tree-shaped channel encapsulated with a thin PDMS and a specially designed electrochemical chamber, gradient flow generation could be converted into a functionalized-PEDOT gradient film by cyclic voltammetry. The characteristics of the successfully fabricated gradient flow and surface were analyzed using fluorescent labels, time of flight secondary ion mass spectrometry (TOF-SIMS), and X-ray photoelectron spectroscopy (XPS). Remarkably, hiPSC-RGCs seeded on PEDOT exhibited improvements in neurite outgrowth, axon guidance and neuronal electrophysiology measurements. These results suggest that our novel gradient PEDOT may be used with hiPSC-based technologies as a potential biomedical engineering scaffold for functional restoration of RGCs in retinal degenerative diseases and optic neuropathies.

Action, entropy and pair creation rate of charged black holes in de Sitter space

We compute and clarify the interpretation of the on-shell Euclidean action for Reissner-Nordström black holes in de Sitter space. We show the on-shell action is minus the sum of the black hole and cosmological horizon entropy for arbitrary mass and charge in any number of dimensions. This unifying expression helps to clear up a confusion about the Euclidean actions of extremal and ultracold black holes in de Sitter, as they can be understood as special cases of the general expression. We then use this result to estimate the probability for the pair creation of black holes with arbitrary mass and charge in an empty de Sitter background, by employing the formalism of constrained instantons. Finally, we suggest that the decay of charged de Sitter black holes is governed by the gradient flow of the entropy function and that, as a consequence, the regime of light, superradiant, rapid charge emission should describe the potential decay of extreme charged Nariai black holes to singular geometries.

MSFE-UIENet: A Multi-Scale Feature Extraction Network for Marine Underwater Image Enhancement

Underwater optical images have outstanding advantages for short-range underwater target detection tasks. However, owing to the limitations of special underwater imaging environments, underwater images often have several problems, such as noise interference, blur texture, low contrast, and color distortion. Marine underwater image enhancement addresses degraded underwater image quality caused by light absorption and scattering. This study introduces MSFE-UIENet, a high-performance network designed to improve image feature extraction, resulting in deep-learning-based underwater image enhancement, addressing the limitations of single convolution and upsampling/downsampling techniques. This network is designed to enhance the image quality in underwater settings by employing an encoder–decoder architecture. In response to the underwhelming enhancement performance caused by the conventional networks’ sole downsampling method, this study introduces a pyramid downsampling module that captures more intricate image features through multi-scale downsampling. Additionally, to augment the feature extraction capabilities of the network, an advanced feature extraction module was proposed to capture detailed information from underwater images. Furthermore, to optimize the network’s gradient flow, forward and backward branches were introduced to accelerate its convergence rate and improve stability. Experimental validation using underwater image datasets indicated that the proposed network effectively enhances underwater image quality, effectively preserving image details and noise suppression across various underwater environments.

Study on the variation law of smoke layer thickness with ceiling structure height in long-narrow space with one end opening

The ceiling structure in a long-narrow space has a significant impact on the thickness of the fire smoke layer. This paper mainly studies the influence of the height of the ceiling structure on the thickness of the smoke layer before the ceiling structure. Firstly, a theoretical analysis is conducted on the relationship between the critical thickness that affects the smoke flow state and the smoke layer thickness directly below the ceiling structure, and a formula for calculating the smoke layer thickness under gradient flow conditions is derived. Then a small-scale experimental platform was built to study the deviation of actual fire smoke relative to theoretical calculations. Experimental results show that due to the smoke cannot maintain gradient flow when crossing the ceiling structure, there is difference with theoretical calculations in the smoke layer thickness directly below the ceiling structure and some distance before the ceiling structure (which may be of greater concern for personnel evacuation). The gradient flow coefficient and thickness coefficient are defined to represent the above differences. After analysis, it was found that the gradient flow coefficient and thickness coefficient showed different linear variation patterns when the height of the ceiling structure was longer than 35 cm or shorter than 30 cm. Through numerical analysis, this study suggests that the main reason for the change in this linear pattern is whether the potential energy conversed from kinetic energy of the thin layer close to the ceiling structure can directly make the smoke to cross the ceiling structure. The research conclusions of this paper can assist in the engineering design of building smoke control and personnel evacuation.

Detection Method of Stator Coating Quality of Flat Wire Motor Based on Improved YOLOv8s.

The stator of a flat wire motor is the core component of new energy vehicles. However, detecting quality defects in the coating process in real-time is a challenge. Moreover, the number of defects is large, and the pixels of a single defect are very few, which make it difficult to distinguish the defect features and make accurate detection more difficult. To solve this problem, this article proposes the YOLOv8s-DFJA network. The network is based on YOLOv8s, which uses DSFI-HEAD to replace the original detection head, realizing task alignment. It enhances joint features between the classification task and localization task and improves the ability of network detection. The LEFG module replaces the C2f module in the backbone of the YOLOv8s network that reduces the redundant parameters brought by the traditional BottleNeck structure. It also enhances the feature extraction and gradient flow ability to achieve the lightweight of the network. For this research, we produced our own dataset of stator coating quality regarding flat wire motors. Data augmentation technology (Gaussian noise, adjusting brightness, etc.) enriches the dataset, to a certain extent, which improves the robustness and generalization ability of YOLOv8s-DFJA. The experimental results show that in the performance of YOLOv8s-DFJA compared with YOLOv8s, the mAP@.5 index increased by 6.4%, the precision index increased by 1.1%, the recall index increased by 8.1%, the FPS index increased by 9.8FPS/s, and the parameters decreased by 3 Mb. Therefore, YOLOv8s-DFJA can be better realize the fast and accurate detection of the stator coating quality of flat wire motors.

Design and characterisation of an open-jet pressure gradient test rig for an aeroacoustic wind tunnel

This paper summarises an approach to generating controllable pressure gradients within an open-jet configuration for aeroacoustics research. A novel open-jet pressure gradient test rig has been designed for the UNSW Anechoic Wind Tunnel with the help of RANS simulations. A range of pressure gradients is created by adjusting the inclination angle of the top plate to change the cross-sectional area along the streamwise direction gradually. The test model mounting point is located on the bottom plate adjacent to partially opened side walls to allow far-field noise measurements. A comprehensive characterisation of flow quality, pressure gradient parameters and acoustic data quality has been carried out using Particle Imaging Velocimetry (PIV), surface pressure taps, and a microphone array. The test rig produces near-uniform pressure gradient flows at the model mounting point, with momentum Reynolds numbers (Reθ) ranging from 3014 to 11853 and Clauser's pressure gradient parameters (β) from -0.24 to 1.66. The pressure gradients generated by this facility are approximately linear, approaching the model mounting point, and the boundary layer profiles compare favourably with those from conventional hard-walled enclosed pressure gradient wind tunnel facilities. Measurements of airfoil trailing-edge noise from this test rig compare well with classical semi-empirical model predictions. Simultaneous acoustic and flow measurements on a square finite wall-mounted cylinder showcase the capability of this facility for coupled acoustic-flow diagnosis.

Nuʻupia Ponds’ Water Circulation Characteristics: Exploring Water Exchange and Residence Time for Marine Ecosystem Management

Nuʻupia Ponds, a traditional Hawaiian fishpond system, are located at Marine Corps Base Hawaiʻi (MCBH) and part of the Nuʻupia Ponds Wildlife Management Area, a wetland refuge for native, endangered, and protected birds and Hawaiian green sea turtles, as well as many native fish species. Currently, there is uncertainty regarding the ecological status and condition of the fishponds following prior modification of wetland habitats in and around the ponds. This study examines circulation dynamics and characterizes water exchange, pond volume, and residence time across the full tidal spectrum at the Nuʻupia fishponds. Our results indicate a general west to east gradient in current flow; with higher flushing rates and lower residence times of fishponds in the western ponds of the Nuʻupia system compared to the eastern ponds. We further found low flushing rates at several sites causing limited water exchange with Kāneʻohe Bay, as well as within the Nuʻupia Pond system. Sufficient water circulation plays a fundamental role in maintaining a healthy balance of fishpond flora and fauna and preserving ecosystem health. The results from this study provide a baseline for current physical water circulation dynamics and implications for ecosystem health, as well as informing science-based conservation and management strategies moving forward.

Evaluation of Key Development Factors of a Buried Hill Reservoir in the Eastern South China Sea: Nonlinear Component Seepage Model Coupled with EDFM

The HZ 26-B buried hill reservoir is located in the eastern part of the South China Sea. This reservoir is characterized by the development of natural fractures, a high density, and a complex geological structure, featuring an upper condensate gas layer and a lower volatile oil layer. These characteristics present significant challenges for oilfield exploration. To address these challenges, this study employed advanced embedded discrete fracture methods to conduct comprehensive numerical simulations of the fractured buried hill reservoirs. By meticulously characterizing the flow mechanisms within these reservoirs, the study not only reveals their unique characteristics but also establishes an embedded discrete fracture numerical model at the oilfield scale. Furthermore, a combination of single-factor sensitivity analysis and the Pearson correlation coefficient method was used to identify the primary controlling factors affecting the development of complex condensate reservoirs in ancient buried hills. The results indicate that the main factors influencing the production capacity are the matrix permeability, geomechanical effects, and natural fracture length. In contrast, the impact of the threshold pressure gradient and bottomhole flow pressure is relatively weak. This study’s findings provide a scientific basis for the efficient development of the HZ 26-B oilfield and offer valuable references and insights for the exploration and development of similar fractured buried hill reservoirs.

Fast implicit update schemes for Cahn–Hilliard-type gradient flow in the context of Fourier-spectral methods

This work discusses a way of allowing fast implicit update schemes for the temporal discretization of phase-field models for gradient flow problems that employ Fourier-spectral methods for their spatial discretization. Through the repeated application of the Sherman–Morrison formula we provide a rule for approximations of the inverted tangent matrix of the corresponding Newton–Raphson method with a selectable order. Since the representation of this inversion is exact for a sufficiently high approximation order, the proposed scheme is shown to provide a fixed-point-type iterative solver for gradient flow problems that require the solution of linear systems in the context of an implicit time-integration. While the proposed scheme is applicable to general gradient flow phase-field models, we discuss the scheme in the context of the Cahn–Hilliard equation, the Swift–Hohenberg equation, and the phase-field crystal equation for which we demonstrate the performance of the proposed method in comparison with classical solvers.

Mean Pressure Gradient and Fractional Flow Reserve at A Superficial Femoral Artery Dissection after Drug-Coated Balloon Angioplasty.

Residual dissection is a concern in endovascular treatment with a DCB, and there is limited knowledge of hemodynamics at a dissection lesion. Therefore, the objective of this study is to evaluate the mean pressure gradient (MPG) and fractional flow reserve (FFR) at a residual dissection after DCB angioplasty for the superficial femoral artery (SFA). A total of 59 cases with residual SFA dissection treated with DCB angioplasty at a single center were analyzed retrospectively. The dissection was classified into 6 types (A-F). The primary endpoints were MPG and FFR at a residual dissection lesion after DCB angioplasty, using evaluation with a pressure wire. The median lesion length was 70 (40-130) mm with 24% popliteal involvement, and 11 cases (18%) had chronic total occlusion. A completion angiogram revealed dissection of types A (n = 33, 56%), B (n = 18, 31%), C (n = 7, 12%), and D (n = 1, 2%). The median MPGs in type A, B, and C cases were 0 (0-2), 0 (0-4), and 3 (0-6) mmHg, with a significant lower in type C cases than in type A cases (A vs C, P = .021). The median FFRs in type A, B, and C cases of 1.0 (.98-1.00), 1.0 (.96-1.00), and .98 (.95-1.00) did not differ significantly among dissection types (A vs B, P = .86; A vs C, P = .055; B vs C, P = .15). This is the first report of hemodynamics at a SFA dissection. The results suggest that low-grade dissection (types A or B) does not affect MPG and FFR at a SFA lesion. This indicates that a bailout stent may be unnecessary for patients with dissection of types A or B. A further investigation is needed to determine whether a scaffold is required for a SFA lesion with type C dissection.

GAD-PVI: A General Accelerated Dynamic-Weight Particle-Based Variational Inference Framework.

Particle-based Variational Inference (ParVI) methods have been widely adopted in deep Bayesian inference tasks such as Bayesian neural networks or Gaussian Processes, owing to their efficiency in generating high-quality samples given the score of the target distribution. Typically, ParVI methods evolve a weighted-particle system by approximating the first-order Wasserstein gradient flow to reduce the dissimilarity between the particle system's empirical distribution and the target distribution. Recent advancements in ParVI have explored sophisticated gradient flows to obtain refined particle systems with either accelerated position updates or dynamic weight adjustments. In this paper, we introduce the semi-Hamiltonian gradient flow on a novel Information-Fisher-Rao space, known as the SHIFR flow, and propose the first ParVI framework that possesses both accelerated position update and dynamical weight adjustment simultaneously, named the General Accelerated Dynamic-Weight Particle-based Variational Inference (GAD-PVI) framework. GAD-PVI is compatible with different dissimilarities between the empirical distribution and the target distribution, as well as different approximation approaches to gradient flow. Moreover, when the appropriate dissimilarity is selected, GAD-PVI is also suitable for obtaining high-quality samples even when analytical scores cannot be obtained. Experiments conducted under both the score-based tasks and sample-based tasks demonstrate the faster convergence and reduced approximation error of GAD-PVI methods over the state-of-the-art.

(Invited) Advances in Modeling Ion Transport in Micropores and Charging Behavior of Porous Electrodes: Merging Molecular Insights with Machine Learning for Energy Storage

Electric double layer (EDL) charging is a complex process coupling electro-osmotic flow, surface reactions, and ion concentration gradients. The charging dynamics depends on the properties of electrolyte and electrode structure, as well as initial and boundary conditions. While molecular dynamics (MD) simulations and first-principles calculations can encompass all factors, their computational demands are substantial even for simple electrochemical systems such as electrolytes near a planar surface. This presentation explores recent advancements in modeling ion transport in micropores and the charging behavior of porous electrodes with different theoretical and simulation methods. Illustrative examples will be discussed on the integration of molecular modeling and machine-learning techniques to enhance our understanding of complex electrochemical processes and improve the design of energy storage devices.