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A path to lowering the economic barrier associated with the high cost of metal additively manufactured components is to reduce the waste via powder reuse (powder cycled back into the process) and recycling (powder chemically, physically, or…
Diffusion models deliver high-fidelity synthesis but remain slow due to iterative sampling. We empirically observe there exists feature invariance in deterministic sampling, and present InvarDiff, a training-free acceleration method that…
We study the bulk properties of isotropic bidisperse granular mixtures using discrete element simulations. The focus is on the influence of the size (radius) ratio of the two constituents and volume fraction on the mixture properties. We…
Conjugated organic molecules play a central role in a wide range of optoelectronic devices, including organic light-emitting diodes, organic field-effect transistors, and organic solar cells. A major bottleneck in the computational design…
We apply the Charge Simulation Method (CSM) in order to compute the logarithmic capacity of compact sets consisting of (infinitely) many "small" components. This application allows to use just a single charge point for each component. The…
This paper deals with simulation of flow and transport in porous media such as transport of groundwater contaminants. We first discuss how macro scale equations are derived and which terms have to be closed by models. The transport of…
Entropy scaling is a powerful technique that has been used for predicting transport properties of pure components over a wide range of states. However, modeling mixture diffusion coefficients by entropy scaling is an unresolved task. We…
Commercially available low-cost particulate matter (PM) sensors provide output as total or size-specific particle counts and mass concentrations. These quantities are not measured directly but are estimated by the original equipment…
The dip coating of suspensions made of monodisperse non-Brownian spherical particles dispersed in a Newtonian fluid leads to different coating regimes depending on the ratio of the particle diameter to the thickness of the film entrained on…
Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems…
Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…
Chemical multisensor devices need calibration algorithms to estimate gas concentrations. Their possible adoption as indicative air quality measurements devices poses new challenges due to the need to operate in continuous monitoring modes…
The simulation of stochastic reaction-diffusion systems using fine-grained representations can become computationally prohibitive when particle numbers become large. If particle numbers are sufficiently high then it may be possible to…
We study the filling process of a two-dimensional silo with inelastic particles by simulation of a granular media lattice gas (GMLG) model. We calculate the surface shape and flow profiles for a monodisperse system and we introduce a novel…
We propose a novel modeling framework to study the effect of covariates of various types on the conditional distribution of the response. The methodology accommodates flexible model structure, allows for joint estimation of the quantiles at…
The autonomous systems need to decide how to react to the changes at runtime efficiently. The ability to rigorously analyze the environment and the system together is theoretically possible by the model-driven approaches; however, the model…
Starting from a generic model of a pore/bulk mixture equilibrium, we propose a novel method for modulating the composition of the confined fluid without having to modify the bulk state. To achieve this, two basic mechanisms - sensitivity of…
Charge transfer complexes are materials with a wide range of interesting optical and electronic properties. They have seen a great deal of research over the past decade, both in device development as well as research to elucidate the…
The flow of motor proteins on a filamental track is modelled within the the framework of lattice driven diffusive systems. Motors, considered as hopping particles, perform a highly biased asymmetric exclusion process when bound to the…
Using numerical simulations and analytical approximations we study a modified version of the two-dimensional lattice model [R. Piasecki,phys. stat. sol. (b) 209, 403 (1998)] for random pH:(1-p)L systems consisting of grains of high (low)…