Related papers: A review on multiscale computational studies for e…
Surface stresses, in nano-sized anode particles undergoing chemomechanical interactions, have a relaxing effect on the diffusion-induced stresses thus improving the mechanical endurance of the particles, whereas, the compressive effect of…
As we approach the physical limits of CMOS technology, advances in materials science and nanotechnology are making available a variety of unconventional computing substrates that can potentially replace top-down-designed silicon-based…
In finite systems, such as nanoparticles and gas-phase molecules, calculations of minimum energy paths (MEPs) connecting initial and final states of transitions as well as searches for saddle points are complicated by the presence of…
Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…
This paper considers the backward Euler based linear time filtering method for the EMAC formulation of the incompressible Navier-Stokes equations. The time filtering is added as a modular step to the standard backward Euler code leading to…
Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of…
CO2 capture and storage is an important technology for mitigating climate change. Design of efficient strategies for safe, long-term storage requires the capability to efficiently simulate processes taking place on very different temporal…
Jet substructure observables serve as essential tools for probing the quark-gluon plasma produced in relativistic heavy-ion collisions. Their interpretation, however, is often complicated by edge effects, which arise when correlated…
Neuromorphic computing is at the basis of the recent progress in artificial intelligence. But the progress is accompanied with increasing demands in computational resources and power supply. Reservoir neuromorphic computing uses a…
With the growing computational power available for high-resolution ensemble simulations in scientific fields such as cosmology and oceanology, storage and computational demands present significant challenges. Current surrogate models fall…
The optical trapping and manipulation of small particles is an important tool for probing fluid properties at the microscale. In particular, microrheology exploits the manipulation and rotation of micron-scale particles to probe local…
In this study, an Artificial Neural Network (ANN) approach is utilized to perform a parametric study on the process of extraction of lubricants from heavy petroleum cuts. To train the model, we used field data collected from an industrial…
We develop a 3D aerothermodynamic simulator for the Orion reentry capsule at hypersonic speeds, a timely case study given its role in upcoming lunar missions. The large computational meshes required for these scenarios make traditional…
Microstructural evolution of NMC secondary particles during the battery operation drives the electrochemical performance and impacts the Li-ion battery lifetime. In this work, we develop an in situ methodology using the FIB/SEM instrument…
In component shape optimization, the component properties are often evaluated by computationally expensive simulations. Such optimization becomes unfeasible when it is focused on a global search requiring thousands of simulations to be…
Nanofluids are known to have significantly different thermal properties relative to the corresponding conventional fluids. Heat transfer at the solid-fluid interface affects the thermal properties of nanofluids. The current work helps in…
We have obtained an electromagnetic PIC (EM-PIC) algorithm based on time-space-extended particle in cell model. In this model particles are shaped objects extended over time and space around Lagrangian markers. Sources carried by these…
With the continuing progress in large eddy simulations (LES), and ever increasing computational resources, it is currently possible to numerically solve the time-dependent and anisotropic large scales of turbulence in a large variety of…
This study addresses the issue of oil removal from water using hydrophilic porous membranes. The effective separation of oil-in-water dispersions involves high flux of water through the membrane and, at the same time, high rejection rate of…
Gyrocenter dynamics of charged particles plays a fundamental role in plasma physics. In particular, accuracy and conservation of energy are important features for correctly performing long-time simulations. For this purpose, we here propose…