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Keywords: molecular dynamics
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Journal Articles
Article Type: Research Papers
J. Eng. Mater. Technol. October 2021, 143(4): 041010.
Paper No: MATS-21-1106
Published Online: June 17, 2021
... electroplating process is an effective way to prevent hydrogen embrittlement. Additionally, the effects of hydrogen on the tensile response of α-Fe-based microstructure with a similar chemical composition of alloying elements are simulated through molecular dynamics (MD) method. References [1...
Journal Articles
Article Type: Research Papers
J. Eng. Mater. Technol. January 2022, 144(1): 011006.
Paper No: MATS-21-1078
Published Online: June 15, 2021
... experimental nanoindentation results with excellent prediction of fracture points. Simulation of uniaxial tensile deformation by molecular dynamics shows the complete non-linear stress-strain response up to failure. Mechanical behavior, including failure properties, exhibits directional anisotropy due...
Includes: Supplementary data
Journal Articles
Article Type: Research-Article
J. Eng. Mater. Technol. October 2012, 134(4): 041003.
Published Online: August 9, 2012
..., are complex and are affected by multiple factors, such as the distribution and location/size of the reinforcing particles, grain size in the metal–matrix, the structural characteristics of the interface between the particles and matrix grains, and loading conditions [ 3–5 ]. molecular dynamics...
Journal Articles
Article Type: Research Papers
J. Eng. Mater. Technol. April 2012, 134(2): 021013.
Published Online: March 27, 2012
..., in this work molecular dynamics (MD) simulations are used to study the diffusion of O 2 and N 2 penetrants in metal particle polymer nanocomposites composed of an uncross-linked polydimethylsiloxane (PDMS) matrix with Cu nanoparticle inclusions. PDMS is modeled using a hybrid interatomic potential...
Journal Articles
Article Type: Bridging Microstructure, Properties, And Processing Of Polymer-Based Advanced Materials
J. Eng. Mater. Technol. January 2012, 134(1): 010904.
Published Online: December 12, 2011
... of the amorphous silica nanoparticles are investigated by means of molecular dynamics (MD) simulations. At this stage, the MD modeling of three-axial tensile loading of amorphous silica is carried out to estimate the elastic properties. Second, the conventional twp phase homogenization techniques such as finite...
Journal Articles
Article Type: Research Papers
J. Eng. Mater. Technol. January 2006, 128(1): 3–10.
Published Online: December 27, 2005
.... Phys. Solids , 49 ( 6 ), pp. 1265 – 1279 . Ni , B. , Sinnott , S. B. , Mikulski , P. T. , and Harrison , J. A. , 2002 , “ Compression of Carbon Nanotubes Filled With C-60, CH4, or Ne: Predictions From Molecular Dynamics Simulations ,” Phys. Rev. Lett. , 88 ( 20 ), 205505...
Journal Articles
Article Type: Technical Papers
J. Eng. Mater. Technol. July 2004, 126(3): 258–264.
Published Online: June 29, 2004
... (SWCNTs). Detailed molecular dynamics simulations for aligned SWCNTs predict modulated variation between the kinetic friction force and the applied pressure. The interacting SWCNTs float with respect to each other at about the equilibrium separation of van der Waals interaction, and the wavy contact...