Atomistic structure of (Ba,Sr)TiO3: Comparing molecular-dynamics simulations with structural measurements

Dynamics Simulations ◽

From atomistic structure to thermodynamics and mechanical properties of epoxy/clay nanocomposites: Investigation by molecular dynamics simulations

Computational Materials Science ◽

10.1016/j.commatsci.2017.07.024 ◽

2017 ◽

Vol 139 ◽

pp. 191-201 ◽

Cited By ~ 9

Author(s):

Van Son Vo ◽

Vu-Hieu Nguyen ◽

Samia Mahouche-Chergui ◽

Benjamin Carbonnier ◽

Devis Di Tommaso ◽

...

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Clay Nanocomposites ◽

Dynamics Simulations ◽

Atomistic structure of a PAN-based carbon fibre constructed by molecular dynamics simulations and lifetime measurement of positron annihilation

International Journal of Sustainable Aviation ◽

10.1504/ijsa.2015.070382 ◽

2015 ◽

Vol 1 (3) ◽

pp. 269 ◽

Cited By ~ 1

Author(s):

Akihiko Ito ◽

Shingo Okamoto

Keyword(s):

Molecular Dynamics ◽

Carbon Fibre ◽

Positron Annihilation ◽

Lifetime Measurement ◽

Dynamics Simulations ◽

Molecular dynamics simulations of the atomistic structure of the intergranular film between silicon nitride grains: Effect of composition, thickness, and surface vacancies

Materials Science and Engineering A ◽

10.1016/j.msea.2006.01.009 ◽

2006 ◽

Vol 422 (1-2) ◽

pp. 115-122 ◽

Cited By ~ 9

Author(s):

Stephen H. Garofalini

Keyword(s):

Molecular Dynamics ◽

Silicon Nitride ◽

Dynamics Simulations ◽

Atomistic Structure of Calcium Silicate Intergranular Films in Alumina Studied by Molecular Dynamics Simulations

Journal of the American Ceramic Society ◽

10.1111/j.1151-2916.1997.tb03083.x ◽

2005 ◽

Vol 80 (8) ◽

pp. 1997-2004 ◽

Cited By ~ 61

Author(s):

Slawomir Blonski ◽

Stephen H. Garofalini

Keyword(s):

Molecular Dynamics ◽

Calcium Silicate ◽

Intergranular Films ◽

Dynamics Simulations ◽

Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.83.165209 ◽

2011 ◽

Vol 83 (16) ◽

Cited By ~ 22

Author(s):

Mariella Ippolito ◽

Simone Meloni

Keyword(s):

Molecular Dynamics ◽

Silicon Nitride ◽

Amorphous Silicon ◽

Amorphous Silicon Nitride ◽

Classical Molecular Dynamics ◽

Dynamics Simulations ◽

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulations ◽

Liquid Alkanes