Related papers: A simulation modeling framework for fluid motion a…
Scalar transport (e.g. heat or chemical species) in laminar flows is key to many industrial activities and fluid stirring by flow reorientation is a common way to enhance this process. However, "How best to stir?" remains a major challenge.…
We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and…
A nonlinear dynamical system model that approximates a microscopic Gibbs field model for the yielding of a viscoplastic material subjected to varying external stress recently reported in [1] is presented. The predictions of the model are in…
In this study, the impact of turbulent diffusion on mixing of biochemical reaction models is explored by implementing and validating different models. An original codebase called CHAD (Coupled Hydrodynamics and Anaerobic Digestion) is…
The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions,…
Use of commercial growth chambers for study of biological processes involved in biomass growth and production pose certain limitations on the nature of studies that can be performed in them. Optimization of biomass rearing and production…
This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…
In the emerging field of 3D bioprinting, cell damage due to large deformations is considered a main cause for cell death and loss of functionality inside the printed construct. Those deformations, in turn, strongly depend on the…
Kinetic modeling of microbial growth is essential for the design, optimization, and scale-up of industrial bioprocesses. Classical empirical models often lack biologically interpretable parameters or fail to capture complex multiphasic…
In this paper, we obtain analytical results for shear stress distributions inside an elastic body placed in a low Reynolds number transport. The problem definition is inspired by a recent experimental study (Valiei et al., Lab Chip, 2012,…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…
The influence of short-range interactions between a multi-phase, multi-component mixture and a solid wall in confined geometries is crucial in life sciences and engineering. In this work, we extend the Cahn-Hilliard model with dynamic…
For high-throughput cell culture and associated analytics, droplet-based cultivation systems open up the opportunities for parallelization and rapid data generation. In contrast to microfluidics with continuous flow, sessile droplet…
We introduce a novel enhanced sampling approach named OPES flooding for calculating the kinetics of rare events from atomistic molecular dynamics simulation. This method is derived from the On-the-fly-Probability-Enhanced-Sampling (OPES)…
Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…
The development of new manufacturing techniques such as 3D printing have enabled the creation of previously infeasible chemical reactor designs. Systematically optimizing the highly parameterized geometries involved in these new classes of…
The edge plasma turbulence and transport dynamics, as well as the divertor power loads during the thermal quench phase of tokamak disruptions are numerically investigated with BOUT++'s flux-driven, six-field electromagnetic turbulence…
Non-equilibrium molecular dynamics simulations are performed to investigate the dynamic behavior of three-dimensional binary glasses prepared via an instantaneous quench across the glass transition. We found that with increasing strain…
The emergence and understanding of new design paradigms that exploit flow induced mechanical instabilities for propulsion or energy harvesting demands robust and accurate flow structure interaction numerical models. In this context, we…
A colloidal particle embedded in a fluid can be used as a microscopic heat engine by means of a sequence of cyclic transformations imposed by an optical trap. We investigate a model for the operation of such kind of Brownian engines when…