Related papers: Massively Parallel Phase-Field Simulations for Ter…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
Modern large language model workloads put increasing demands on parallel compute capability and on-chip memory capacity, while also stressing fine-grained data movement and synchronization. These trends motivate exploring and designing…
We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first…
This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…
In this work, we report a massively parallel and time domain implementation of the 3D phase field model that can reach beyond micron scale and consider for arbitrary electrical and mechanical boundary conditions. The first part of the paper…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
Predicting the microstructure during selective laser sintering (SLS) is of great interests, which can compliment the current time and cost expensive trial-and-error principle with an efficient computational design tool. However, it still…
This paper presents two conceptually simple methods for parallelizing a Parallel Tempering Monte Carlo simulation in a distributed volunteer computing context, where computers belonging to the general public are used. The first method uses…
The computer-assisted modeling of re-entrant production lines, and, in particular, simulation scalability, is attracting a lot of attention due to the importance of such lines in semiconductor manufacturing. Re-entrant flows lead to…
The article describes parallel multiphysics simulations of charged particles in microfluidic flows with the waLBerla framework. To this end, three physical effects are coupled: rigid body dynamics, fluid flow modelled by a lattice Boltzmann…
Phase-field models of microstructural pattern formation during alloy solidification are commonly solved numerically using the finite-difference method, which is ideally suited to carry out computationally efficient simulations on massively…
Molecular dynamics simulations of the interface structure in binary AgCu eutectic were performed by using the realistic EAM potential. In simulations, we examined such quantities as the time dependence of the total energy in the process of…
Numerical simulation of atmospheric turbulence is one of the biggest bottlenecks in developing computational techniques for solving the inverse problem in long-range imaging. The classical split-step method is based upon numerical wave…
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…
The solidification behavior of a eutectic AlCu specimen is investigated via in situ scanning transmission electron microscope (STEM) experiments. Solidification conditions are varied by imposing various cooling conditions via a…
For manufacturing of aerospace composites, several parts may be processed simultaneously using convective heating in an autoclave. Due to uncertainties including tool placement, convective Boundary Conditions (BCs) vary in each run. As a…
The computational homogenization of hyperelastic solids in the geometrically nonlinear context has yet to be treated with sufficient efficiency in order to allow for real-world applications in true multiscale settings. This problem is…
We demonstrate neural-network runtime prediction for complex, many-parameter, massively parallel, heterogeneous-physics simulations running on cloud-based MPI clusters. Because individual simulations are so expensive, it is crucial to train…
Grain growth competition during solidification determines microstructural features, such as dendritic arm spacings, segregation pattern, and grain texture, which have a key impact on the final mechanical properties. During metal additive…