Molecular dynamics study of sintering of Al nanoparticles with/without organic coatings

Combustion of Al nanoparticles coated with ethanol/ether molecules by non-equilibrium molecular dynamics simulations

(2019) Junpeng Liu et al.   Materials Today Communications

Molecular dynamics simulations of aluminum nanoparticles adsorbed by ethanol molecules using the ReaxFF reactive force field

(2018) Junpeng Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular dynamical simulations of melting Al nanoparticles using a reaxff reactive force field

(2018) Junpeng Liu et al.   Materials Research Express

A molecular dynamics study of coalescence of tungsten nanoparticles

(2017) Min Li et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Molecular dynamics simulations of aggregation of copper nanoparticles with different heating rates

(2017) Qibin Li et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Metal-based nanoenergetic materials: Synthesis, properties, and applications

(2017) Dilip Sundaram et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Dominant mechanisms of the sintering of copper nano-powders depending on the crystal misalignment

(2016) Yujin Seong et al.   COMPUTATIONAL MATERIALS SCIENCE

Atomistic-Scale Analysis of Carbon Coating and Its Effect on the Oxidation of Aluminum Nanoparticles by ReaxFF-Molecular Dynamics Simulations

(2016) Sungwook Hong et al.   Journal of Physical Chemistry C

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Morphology and Crystallinity of Coalescing Nanosilver by Molecular Dynamics

(2015) B. Buesser et al.   Journal of Physical Chemistry C

Do nanoenergetic particles remain nano-sized during combustion?

(2014) Purnendu Chakraborty et al.   COMBUSTION AND FLAME

In situimaging of ultra-fast loss of nanostructure in nanoparticle aggregates

(2014) Garth C. Egan et al.   JOURNAL OF APPLIED PHYSICS

Aluminum agglomeration reduction in a composite propellant using tailored Al/PTFE particles

(2013) Travis R. Sippel et al.   COMBUSTION AND FLAME

Computational Analysis Methods in Atomistic Modeling of Crystals

(2013) Alexander Stukowski   JOM

Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

(2011) H.M. Aktulga et al.   PARALLEL COMPUTING

Influencing Solvent Miscibility and Aqueous Stability of Aluminum Nanoparticles through Surface Functionalization with Acrylic Monomers

(2010) Christopher A. Crouse et al.   ACS Applied Materials & Interfaces

The effect of surface modification of aluminum powder on its flowability, combustion and reactivity

(2010) Laila J. Jallo et al.   POWDER TECHNOLOGY

Molecular dynamics simulation of the sintering of metallic nanoparticles

(2009) Pengxiang Song et al.   JOURNAL OF NANOPARTICLE RESEARCH

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

A molecular dynamics study of sintering between nanoparticles

(2008) Lifeng Ding et al.   COMPUTATIONAL MATERIALS SCIENCE

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A