arXiv subjects

Ian C. Bourg

Publications and source records attributed to Ian C. Bourg.

7 recordsLinked to original sources

arXiv2026

Diffusion and Solvation Dynamics of Ions in Water: Beyond the Brownian Approximation

The coupled dynamics of ions and water molecules in their first hydration shell impact a variety of processes including ion diffusion, selective ion transport in water-filled nanopores, and the kinetics of ion-pairing, ion adsorption, and metal-ligand binding reactions. In this work, we study these coupled dynamics for alkali metals (Li, Na, K, Rb, Cs), alkaline Earth metals (Mg, Ca, Sr, Ba), and chloride through the lens of their dependence on ion isotopic mass. Results are validated against previous measurements of the isotopic mass-dependence of ion diffusion coefficients in water and previous ab initio calculations of ion high-frequency dynamics in water. We find that the vibrational power spectra of ions in water consistently exhibit either two or three peaks, i.e., ions have several rattling frequencies within their solvations shells as previously reported for a subset of the species examined here. These frequencies have different sensititivies to isotopic mass that may serve as signatures of ion solvation processes (such as the tendency of ions to orient their first-shell water molecules) and that also may relate to Hofmeister-like effects including the relative affinity of different metals for ribonucleic acid (RNA).

physics.chem-ph↗

arXiv2026

A micro-continuum physics-based model for cohesive sediment gravity flows across mudslide, mudflow, and turbidity current regimes

Gravity driven sediment flows are responsible for a major portion of sediment redistribution within oceans, reservoirs, and lakes, with important implications in coastal erosion, siltation, carbon burial, and contaminant migration in aquatic systems. Despite the ubiquity of this phenomenon, current mechanistic understanding of sediment gravity flows (SGFs) remains limited. This knowledge gap is particularly acute in the case of cohesive, fine-grained sediments (i.e., muds) due to the complex properties of the clay matrix, including low permeability, viscoplastic rheology, and flocculation. In this work, we develop a computational fluid dynamics model that accurately predicts key features of cohesive, clay-rich SGFs based on independent measurements of the relation between sediment solid fraction and rheological yield stress. In particular, the model captures the four primary flow regimes (low density turbidity currents, high density turbidity currents, mudflows, and mudslides) observed in lock-exchange experiments with slurries containing smectite or kaolinite clay. The model is validated through comparison with previous experimental observations of sediment flow morphology, speed, and runout distance. Overall, we demonstrate the ability to predict the influence of intrinsic (particle size, grain density, and rheology) and extrinsic sediment properties (sediment topography and solid fraction) in the development of self-sustaining cohesive SGFs.

physics.geo-ph↗

arXiv2026

Resolving coupled transport in space and time from molecular fluctuations in confined fluids

Transport in fluids is generally reduced to continuum laws parametrized by bulk coefficients and effective interfacial parameters, such as viscosities, diffusivities, slip lengths, and interfacial resistances. This description becomes incomplete at the nanoscale, where spatial heterogeneity, molecular structure, and finite relaxation times are inseparable from the transport process. Here we formulate coupled transport in nanoconfined fluids as a space--time-resolved Onsager response matrix and extract it from equilibrium molecular dynamics simulations. Applied to a confined charged fluid, the framework resolves the nonlocal and transient pathways coupling particle, solute, heat, and charge transport. Momentum transport appears as a long-lived, nonlocal hydrodynamic mode, whereas charge transport relaxes rapidly through localized ionic friction. Off-diagonal responses reveal distinct projected dynamics, providing a microscopic basis for nonlocal, history-dependent transport laws.

cond-mat.stat-mech↗

arXiv2023

Soft matter physics of the ground beneath our feet

Inspired by presentations by the authors during a workshop organized at the Princeton Center for Theoretical Science (PCTS) in January 2022, we present a perspective on some of the outstanding questions related to the "physics of the ground beneath our feet." These identified challenges are intrinsically shared with the field of Soft Matter but also have unique aspects when the natural environment is studied.

cond-mat.soft↗

arXiv2021

The Impact of Sub-Resolution Porosity on Numerical Simulations of Multiphase Flow

Sub-resolution porosity (SRP) is an ubiquitous, yet often ignored, feature in Digital Rock Physics. It embodies the trade-off between image resolution and field-of-view, and it is a direct result of choosing an imaging resolution that is larger than the smallest pores in a heterogeneous rock sample. In this study, we investigate the impacts of SRP on multiphase flow in porous rocks. To do so, we use our newly developed Multiphase Micro-Continuum model to perform first-of-a-kind direct numerical simulations of two-phase flow in porous samples containing SRP. We show that SRP properties (porosity, permeability, wettability) can impact predicted absolute permeabilities, fluid breakthrough times, residual saturations, and relative permeabilities by factors of up to 2, 1.5, 3, and 20, respectively. In particular, our results reveal that SRP can function as a persistent connector preventing the formation of isolated wetting fluid domains during drainage, thus dramatically increasing relative permeabilities to both fluids at low saturations. Overall, our study confirms previous evidence that the influence of SRP cannot be disregarded without incurring significant errors in numerical predictions or experimental analyses of multiphase flow in heterogeneous porous media.

physics.flu-dyn↗

arXiv2021

Capillary and Viscous Fracturing During Drainage in Porous Media

Detailed understanding of the couplings between fluid flow and solid deformation in porous media is crucial for the development of novel technologies relating to a wide range of geological and biological processes. A particularly challenging phenomenon that emerges from these couplings is the transition from fluid invasion to fracturing during multiphase flow. Previous studies have shown that this transition is highly sensitive to fluid flow rate, capillarity, and the structural properties of the porous medium. However, a comprehensive characterization of the relevant fluid flow and material failure regimes does not exist. Here, we used our newly developed Multiphase Darcy-Brinkman-Biot framework to examine the transition from drainage to material failure during viscously-stable multiphase flow in soft porous media in a broad range of flow, wettability, and solid rheology conditions. We demonstrate the existence of three distinct material failure regimes controlled by non-dimensional numbers that quantify the balance of viscous, capillary, and structural forces in the porous medium.

cond-mat.soft↗

arXiv2020

Multiphase Flow Modelling in Multiscale Porous Media: An Open-Sourced Micro-Continuum Approach

An open-sourced multiphase Darcy-Brinkman approach is proposed to simulate two-phase flow in hybrid systems containing both solid-free regions and porous matrices. This micro-continuum model is rooted in elementary physics and volume averaging principles, where a unique set of partial differential equations is used to represent flow in both regions and scales. The crux of the proposed model is that it tends asymptotically towards the Navier-Stokes volume-of-fluid approach in solid-free regions and towards the multiphase Darcy equations in porous regions. Unlike existing multiscale multiphase solvers, it can match analytical predictions of capillary, relative permeability, and gravitational effects at both the pore and Darcy scales. Through its open-source implementation, hybridPorousInterFoam, the proposed approach marks the extension of computational fluid dynamics (CFD) simulation packages into porous multiscale, multiphase systems. The versatility of the solver is illustrated using applications to two-phase flow in a fractured porous matrix and wave interaction with a porous coastal barrier.

physics.comp-ph↗