Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used suboptimally. In a typical scenario, accuracy requirements are imposed, and attained through suboptimal performance. In this paper, we present a methodology for th...

Abstract A three-dimensional model based on molecular dynamics has been developed to describe the formation of a single cathode spot in vacuum arcs. The is assumed be controlled by plasma ions, effect which simulated LAMMPS through process ion bombardment. represented structured copper atoms, while ions are continuously injected into domain with certain velocity towards surface. Ion bombardment...

In the nanochannel flow behavior with respect to expand their applications in modern systems is of utmost importance. According to the results obtained in this study, the condition of nonslip on the wall of the nanochannel is not acceptable because in the nano dimensions, slip depends on different parameters including surface roughness. In this study, keeping the side area roughness, deformatio...

Bubble nucleation in liquid confined nanochannel is studied using molecular dynamics simulations and compared against the over smooth surfaces (i.e. without confinement). Nucleation argon achieved by heating part of a platinum surface to high temperatures surface-to-liquid algorithm implemented LAMMPS. The hydrophilicity nanochannels increased understand its effect on behaviour. Liquid structur...

We present Korali, an open-source framework for large-scale Bayesian uncertainty quantification and stochastic optimization. The relies on non-intrusive sampling of complex multiphysics models enables their exploitation optimization decision-making. In addition, its distributed engine makes efficient use massively-parallel architectures while introducing novel fault tolerance load balancing mec...