The triboelectrification of conducting materials can be explained by electron transfer
between different Fermi levels. However, triboelectrification in dielectrics is poorly …

A manufacturing-driven ICME framework is proposed to model short fiber reinforced ceramic
matrix composites (CMCs) via direct ink writing. Currently, there lacks efforts to investigate …

This paper presents a novel technique for the simulation of a nano/micro-material system
known as stiffness-based coarse-grained molecular dynamics (SB-CG-MD), which aims to …

In the dynamic digital age, the widespread use of computers has transformed engineering
and science. A realistic and successful solution of an engineering problem usually begins …

Metal halide perovskites have rapidly evolved into an efficient, low-cost alternative to
conventional photovoltaic materials. Devices with power conversion efficiencies over 20 …

Nuclear power has played a crucial role in the past century, ensuring energy security due to
its reliability and supporting the response to the ongoing climate crisis. However, certain …

Halide perovskites have gained tremendous research attention since the first solid-state
perovskite solar cell in 2012 due to their optoelectronic properties and low processing …

This study explores fracture physics for Barium Titanate using multiscale modeling and
connects the fracture physics to failure criterion, ie G‐Criterion. The specimen is devided into …

Basically, there exist two fundamental physical models that provide foundations for almost
all material behavioral simulations: microscopic discrete atomistic models and macroscopic …

Molecular dynamics (MD) simulation is computer simulation method that allows one to
predict the dynamical evolution of a material system that consists of interacting particles …