...Sungmin Yoon; Yasuhiro Kimura; Motoki Uchida; Yang Ju; Yuhki Toku Molecular dynamics studies were performed to assess tensile and compressive behaviors at high temperatures up to 1200 °C for nanostructured polycrystalline AlCoCrFeNi high entropy alloy (HEA). As the temperature increased...

... 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. There are no conflicts...

... 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...

... 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 strength asymmetry metal–ceramic composites interatomic potentials Metal...

..., 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...

... 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...

... From Molecular Dynamics Simulations ,” Phys. Rev. Lett. , 88 ( 20 ), 205505 205505 . Hod , O. , and Rabani , E. , 2003 , “ Carbon Nanotube Closed-Ring Structures ,” Phys. Rev. B , 67 , 195408 195408 . Hertel , T. , and Walkup , R. E. , 1998 , “ Avouris, P...

... (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...