LAMMPS
Large-scale Atomic / Molecular Massively Parallel Simulator (https://lammps.sandia.gov/).
Large-scale Atomic / Molecular Massively Parallel Simulator (https://lammps.sandia.gov/).
Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
The project seeks to create a comprehensive model linking nanoscale phenomena to larger-scale behaviors to better ...
Laser powder bed fusion (LPBF) is an additive manufacturing technology involving a gradual build-on of layers to form a ...
Layered transition metal oxides, derived from the model system LiCoO2, are used as cathode materials in Li-ion batteries ...
The application of metallic glasses (MGs) is limited by their brittle behavior at room temperature [1]. In order to ...
To understand and study complex materials at the atomic level, it is essential to be able to calculate forces and ...
The low-density polyethylene polymerization process takes place at high pressure and temperatures. Knowledge of the ...
The simulation of materials on the atomistic scale requires a description of interatomic interactions. Quantum ...
The project was majorly dedicated to build cell mechanistic models and study cell mechanics and cell migration. Both ...
The project aims to develop a bridging model that connects the nanoscale to the upscaled levels for understanding the ...
Active matter consisting of motile agents such as bacteria, algae, or synthetic microswimmers on the microscale and ...
Coarse-grained molecular dynamics (MD) simulation provides a faster alternative to all-atom MD simulation, essential for ...
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
With increasing system performance and complexity, it is becoming increasingly crucial to examine the scaling behavior ...
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
Overall objective of this project is to develop an elementary physical/chemical bridging model for the chemical reaction ...
Coarse-Grained molecular dynamics simulation is a promising alternative to all-atom molecular dynamics simulation for ...
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
Refractory metal silicide systems like Mo-Si-Ti are expected to be ideal substrates in composite materials for high ...
The MD method is suitable for studying the behavior of liquid molecular systems. According to past investigations in the ...
The fabrication of metallic glasses by laser powder melt fusion provides a new way for the synthesis of metallic glasses ...
We investigate the CrMnFeCoNi (Cantor alloy)[1] high-entropy bulk metallic glass (HE-BMG). HE-BMGs are a new amorphous ...
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
Holding unique characteristics, such as a high strength and large elastic limit, metallic glasses are advanced materials ...
For the understanding of materials it is often necessary to analyse them on the atomic scale. Molecular dynamics is a ...
Entanglements between polymer chains are demonstrated as one of the key factors to modulate the macroscopic physical ...
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
The current limits of metallic glasses are tied to their brittle behavior at room temperature [1]. To overcome brittle ...