Interaction and coalescence of nanovoids and dynamic fracture in silica glass: multimillion-to-billion atom molecular dynamics simulations

نویسندگان

  • Ken-ichi Nomura
  • Yi-Chun Chen
  • Rajiv K Kalia
  • Lin H Yang
چکیده

In this review, we present our recent results for atomistic mechanisms of damage nucleation and growth and dynamic fracture in silica glass. These results have been obtained with multimillion-to-billion atom, parallel, molecular dynamics simulations of (1) the interaction and coalescence of nanovoids in amorphous silica subjected to dilatational strain and (2) the nucleation, growth and healing of wing cracks and damage nanocavities in silica glass under impact loading. We also give an overview of our current efforts to perform dynamic fracture simulations over microsecond time scales and multiscale simulations of stress corrosion cracking in silica glass.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Interaction of voids and nanoductility in silica glass.

Multimillion-to-billion-atom molecular dynamics simulations are performed to investigate the interaction of voids in silica glass under hydrostatic tension. Nanometer size cavities nucleate in intervoid ligaments as a result of the expansion of Si-O rings due to a bond-switching mechanism, which involves bond breaking between Si-O and bond formation between that Si and a nonbridging O. With fur...

متن کامل

Dynamics of wing cracks and nanoscale damage in glass.

We investigate initiation, growth, and healing of wing cracks in confined silica glass by molecular dynamics simulations. Under dynamic compression, frictional sliding of precrack surfaces nucleates nanovoids which evolve into nanocrack columns at the precrack tip. Nanocrack columns merge to form a wing crack, which grows via coalescence with nanovoids in the direction of maximum compression. L...

متن کامل

Molecular Dynamics Simulation of Al Energetic Nano Cluster Impact (ECI) onto the Surface

On the atomic scale, Molecular Dynamic (MD) Simulation of Nano Al cluster impact on Al (100) substrate surface has been carried out for energies of 1-20 eV/atom to understand quantitatively the interaction mechanisms between the cluster atoms and the substrate atoms. The many body Embedded Atom Method (EAM) was used in this simulation. We investigated the maximum substrate temperature Tmax  and...

متن کامل

Multimillion Atom Reactive Simulations of Nanostructured Energetic Materials

For large-scale atomistic simulations involving chemical reactions to study nanostructured energeticmaterials, we have designed linear-scaling molecular dynamics algorithms: 1) first-principles-based fast reactive force field molecular dynamics, and 2) embedded divide-and-conquer density functional theory on adaptive multigrids for quantum-mechanical molecular dynamics. These algorithms have ac...

متن کامل

Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics.

We have developed a first-principles-based hierarchical simulation framework, which seamlessly integrates (1) a quantum mechanical description based on the density functional theory (DFT), (2) multilevel molecular dynamics (MD) simulations based on a reactive force field (ReaxFF) that describes chemical reactions and polarization, a nonreactive force field that employs dynamic atomic charges, a...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2009