Molecular dynamics simulations of nanoindentation – the importance of force field choice on the predicted elastic modulus of FCC aluminum

Discrepancies in the mechanical properties of gold nanowires: The importance of potential type and equilibration method

(2019) Liam S. Morrissey et al.   COMPUTATIONAL MATERIALS SCIENCE

Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten

(2018) Saurav Goel et al.   COMPUTATIONAL MATERIALS SCIENCE

New interatomic potential for Mg–Al–Zn alloys with specific application to dilute Mg-based alloys

(2018) Doyl E Dickel et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Atomistic uniaxial tension tests: investigating various many-body potentials for their ability to produce accurate stress strain curves using molecular dynamics simulations

(2018) Liam S. Morrissey et al.   MOLECULAR SIMULATION

Atomistic Studies of Nanoindentation—A Review of Recent Advances

(2017) Carlos Ruestes et al.   Crystals

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

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

Atomic interaction of the MEAM type for the study of intermetallics in the Al–U alloy

(2015) M.I. Pascuet et al.   JOURNAL OF NUCLEAR MATERIALS

Study of nanoindentation behavior of amorphous alloy using molecular dynamics

(2014) Chen Qiu et al.   APPLIED SURFACE SCIENCE

Effect of boundary conditions on the MD simulation of nanoindentation

(2014) Mohammadreza Yaghoobi et al.   COMPUTATIONAL MATERIALS SCIENCE

On the mechanism of material removal in nanometric cutting of metallic glass

(2013) Pengzhe Zhu et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

(2013) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

Considerations for choosing and using force fields and interatomic potentials in materials science and engineering

(2013) Chandler A. Becker et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Atomistic simulations of nanoindentation on the basal plane of crystalline molybdenum disulfide (MoS2)

(2013) J A Stewart et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Molecular dynamics simulations of nanoindentation of monocrystalline germanium

(2012) P. Z. Zhu et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Dynamics of Confined Reactive Water in Smectite Clay–Zeolite Composites

(2012) Michael C. Pitman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular dynamic simulation of aluminum–water reactions using the ReaxFF reactive force field

(2011) Michael F. Russo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A reactive force field for lithium–aluminum silicates with applications to eucryptite phases

(2011) Badri Narayanan et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Diffusive molecular dynamics and its application to nanoindentation and sintering

(2011) Ju Li et al.   PHYSICAL REVIEW B

Atomistic simulations of nanoindentation in the presence of vacancies

(2010) E.K. Njeim et al.   SCRIPTA MATERIALIA

Nanoindentation of thin films: Simulations and experiments

(2009) Arun K. Nair et al.   JOURNAL OF MATERIALS 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

Molecular dynamics simulations on nanoindentation mechanisms of multilayered films

(2008) Te-Hua Fang et al.   COMPUTATIONAL MATERIALS SCIENCE