Related papers: When atomic-scale resolution is not enough: Spatia…
The dynamics of entrainment of finite-size heavy particles in a turbulent open channel flow over a smooth surface are analyzed. Three types of simulations, namely with freely moving, rotation-constrained, and spanwise-motion-constrained…
Large scale modelling of fluid flow coupled with solid failure in geothermal reservoirs or hydrocarbon extraction from reservoir rocks usually involves behaviours at two scales: lower scale of the inelastic localization zone, and larger…
In this study, we develop computational models and methodology for accurate multi-component-flow simulation in under-resolved multi-scale porous structures. It is generally impractical to fully resolve the flow in porous structures with…
Realistic two-phase flow problems of interest often involve high $Re$ flows with high density ratios. Accurate and robust simulation of such problems requires special treatments. In this work, we present a consistent, energy-conserving…
The rate of melting of a solid and the rate of deformation of the resulting melt due to capillary forces are comparable in additive manufacturing applications. This dynamic structural change of a melting solid is extremely challenging to…
We numerically study confined channel foam flow around an obstacle using a two-dimensional bubble model, inspired by experiments performed in the same geometry. We systematically vary the polydispersity, the external driving force, and the…
In$_2$O$_3$-based catalysts have shown high activity and selectivity for CO$_2$ hydrogenation to methanol, however the origin of the high performance of In$_2$O$_3$ is still unclear. To elucidate the initial steps of CO$_2$ hydrogenation…
Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and water-like liquid-state anomalies are performed to obtain an understanding of the relationship between…
The long time dynamics of large particles trapped in two inhomogeneous turbulent shear flows is studied experimentally. Both flows present a common feature, a shear region that separates two colliding circulations, but with different…
We investigate a class of stationary, planar-symmetric solutions of relativistic hydrodynamics, in which a dissipative fluid is confined between two parallel plates that move relative to each other and/or are maintained at different…
Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle…
Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical…
Extensive studies on thin films indicated a generic cubic current-voltage $I-V$ dependence as a salient feature of charge transport by tunneling. A quick glance at $I-V$ data for molecular junctions suggests a qualitatively similar…
We present a Monte Carlo simulation for the scattering of light in the case of an isotropic light source. The scattering phase functions are studied particularly in detail to understand how they can affect the multiple light scattering in…
We compute numerical simulations of spherical collapse triggered by a slow increase in external pressure. We compare isothermal models to models including cooling with a simple but self-consistent treatment of the coupling between gas,…
Bubbles introduced to the arterial circulation during invasive medical procedures can have devastating consequences for brain function but their effects are currently difficult to quantify. Here we present a Monte-Carlo simulation…
Stochastic systems often exhibit multiple viable metastable states that are long-lived. Over very long timescales, fluctuations may push the system to transition between them, drastically changing its macroscopic configuration. In realistic…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
By using a non-local model, fluid simulations can capture kinetic effects in the parallel electron heat-flux better than is possible using flux limiters in the usual diffusive models. Non-local and diffusive models are compared using a test…
The mixed convection flow in a plane channel with adiabatic boundaries is examined. The boundaries have an externally prescribed relative velocity defining a Couette-like setup for the flow. A stationary flow regime is maintained with a…