A physiochemical model for the combustion of aluminum nano-agglomerates in high-speed flows
A theoretical model of aluminum nanoparticle (ANP) and agglomerates has been developed
to highlight the effect of flow-particle interactions and heat conduction within particles. To …
to highlight the effect of flow-particle interactions and heat conduction within particles. To …
High shock resistance and self-healing ability of graphene/nanotwinned Cu nanolayered composites
Graphene/metal matrix composites have attracted intense interest because of superior
mechanical properties, while introducing graphene into the nanotwinned metal matrix has …
mechanical properties, while introducing graphene into the nanotwinned metal matrix has …
Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential
Molecular simulations of high energetic materials (HEMs) are limited by efficiency and
accuracy. Recently, neural network potential (NNP) models have achieved molecular …
accuracy. Recently, neural network potential (NNP) models have achieved molecular …
[HTML][HTML] Investigation of the effect of iron nanoparticles on n-dodecane combustion under external electrostatic fields
EM Kritikos, A Giusti - Proceedings of the Combustion Institute, 2023 - Elsevier
Reactive molecular dynamics simulations are performed to investigate the combined effects
of iron nanoparticles and external electrostatic fields on the combustion of n-dodecane …
of iron nanoparticles and external electrostatic fields on the combustion of n-dodecane …
mdapy: A flexible and efficient analysis software for molecular dynamics simulations
YC Wu, JL Shao - Computer Physics Communications, 2023 - Elsevier
The mdapy is a library for pre-and postprocessing molecular dynamics simulation data.
Benefitting from the just-in-time compile technology of TaiChi mdapy can be written in pure …
Benefitting from the just-in-time compile technology of TaiChi mdapy can be written in pure …
Revealing pressure effects in the anisotropic combustion of aluminum nanoparticles
The anisotropic combustion of aluminum nanoparticles (ANPs) under the flow impact is
examined in a wide pressure range from 5 to 100 atm using reactive molecular dynamics …
examined in a wide pressure range from 5 to 100 atm using reactive molecular dynamics …
Minimizing Redundancy and Data Requirements of Machine Learning Potential: A Case Study in Interface Combustion
The machine learning potential has emerged as a promising approach for addressing the
accuracy-versus-efficiency dilemma in molecular modeling. Efficiently exploring chemical …
accuracy-versus-efficiency dilemma in molecular modeling. Efficiently exploring chemical …
Fully resolved simulations of micro-unit composite fuel in hydroxyl-terminated polybutadiene (HTPB): Al@ AP
Micro-unit composite fuel (Al@ AP) is a promising strategy for achieving stable and efficient
combustion, due to its reduced pressure dependency and ability to prevent agglomeration …
combustion, due to its reduced pressure dependency and ability to prevent agglomeration …
A Reactive Molecular Dynamics Investigation of Nanoparticle Interactions in Hydrocarbon Combustion
M Sayed Ahmad, EM Kritikos… - Combustion Science and …, 2023 - Taylor & Francis
The use of energetic nanoparticles to tailor the properties of a base liquid fuel has attracted
attention due to the possibility of decreasing fuel consumption and increasing control over …
attention due to the possibility of decreasing fuel consumption and increasing control over …
Investigation of Iron Nanoparticle Oxidation under External Electrostatic Fields Using Reactive Molecular Dynamics
EM Kritikos, A Giusti - The Journal of Physical Chemistry C, 2024 - ACS Publications
A reactive molecular dynamics (MD) study of iron nanoparticle oxidation under externally
applied electrostatic fields is performed, with a focus on the role of charge transfers and …
applied electrostatic fields is performed, with a focus on the role of charge transfers and …