Related papers: Molecular dynamic simulation of water vapor intera…
Particle methods are less computationally efficient than grid based numerical solution of the Navier Stokes equation. However, they have important advantages including rigorous mass conservation, momentum conservation and isotropy. In…
In the quest to understand large-scale collective behavior in active matter, the complexity of hydrodynamic and phoretic interactions remains a fundamental challenge. To date, most works either focus on minimal models that do not (fully)…
The work is devoted to the investigation of properties of water vapor. The main attention is focused on the physical nature of its effective polarizability and heat capacity at constant volume. We show that the specific temperature…
Parallel multiphysics simulations often suffer from load imbalances originating from the applied coupling of algorithms with spatially and temporally varying workloads. It is thus desirable to minimize these imbalances to reduce the time to…
Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need…
Molecular dynamics (MD) simulations are powerful tools for elucidating the macroscopic physical properties of materials from microscopic atomic behaviors. However, the massive, high-dimensional datasets generated by MD simulations pose a…
Molecular Dynamics (MD) simulations are a powerful tool for studying matter at the atomic scale. However, to simulate solids, an initial atomic structure is crucial for the successful execution of MD simulations, but can be difficult to…
To facilitate the transition of quantum effects from the controlled laboratory environment to practical real-world applications, there is a pressing need for scalable platforms. One promising strategy involves integrating thermal vapors…
We provide a mathematically proven parallelization scheme for particle methods on distributed-memory computer systems. Particle methods are a versatile and widely used class of algorithms for computer simulations and numerical predictions…
Understanding the on-chip motion of magnetic particles in a microfluidic environment is key to realizing magnetic particle-based Lab-on-a-chip systems for medical diagnostics. In this work, a simulation model is established to quantify the…
We present a hydrodynamic simulation system using the GPU compute shaders of DirectX for simulating virtual agent behaviors and navigation inside a smoothed particle hydrodynamical (SPH) fluid environment with real-time water mesh surface…
There are many astrophysical and laboratory scenarios where kinetic effects play an important role. These range from astrophysical shocks and plasma shell collisions, to high intensity laser-plasma interactions, with applications to fast…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
Simulating the flow of different fluids can be a highly computational intensive process, which requires large amounts of resources. Recently there has been a lot of research effort directed towards GPU processing, which can greatly increase…
Models that involve coupled dynamics in a mixed-dimensional geometry are of increasing interest in several applications. Here, we describe the development of a simulation model for flow in fractured porous media, where the fractures and…
In this article, two novel numerical methods have been developed for simulating fluid/porous particle interactions in three-dimensional (3D) Stokes flow. The Brinkman-Debye-Bueche model is adopted for the fluid flow inside the porous…
Molecular dynamics (MD) simulations are used in biochemistry, physics, and other fields to study the motions, thermodynamic properties, and the interactions between molecules. Computational limitations and the complexity of these problems,…
This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…
Hard particle erosion and cavitation damage are two main wear problems that can affect the internal components of hydraulic machinery such as hydraulic turbines or pumps. If both problems synergistically act together, the damage can be more…
A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…