Supercomputers at NIU BSU helped in the creation of high ductility titanium

Company "T-Platforms' reported the use of numerical simulations on supercomputers «T-Edge 32" and "Nezhegol" at NIU "BSU" in the creation of new biocompatible nano-crystalline titanium.

"Getting the nanostructured titanium will promote the development of the domestic medical industry and increase its competitiveness in the world market, — says Ivan Nelasov, a researcher at the Research and Education and Innovation Centre" Nanostructured Materials and Nanotechnology "NIU" BSU. " — Today we have been successfully operating company "Metal-deform", supplying blanks for the manufacture of implants of this material on the Kazan Medical Instruments Plant and other enterprises. The company is currently "Konmet" (Moscow) has opened its branch in Belgorod and builds plant for the production of medical implants at the site of the Belgorod University. I would like to note that our success in this area accompanied by the use of supercomputers "T-Platforms", the first of which, «T-Edge 32", has been put in NIU "BSU" back in 2007. " 

The newest high-performance computing center "Nezhegol" developed by "T-Platforms," was put into operation in the Belgorod State National Research University (NRU "BSU") in April 2012. With it are scientific and practical research of nanomaterials for creating dental and orthopedic implants with improved biocompatibility, and projected new industrial materials with desired properties. An important result of the work of scientists has become a significant budget savings to conduct expensive field experiments when a new biocompatible nano-crystalline titanium by replacing them by numerical simulations on supercomputers.

For the manufacture of orthopedic and dental implants have traditionally been used overseas alloy Ti-6Al-4V alloy and domestic similar chemical composition. Although contents are harmful to the living organism of the chemical elements (aluminum vanadium) used to achieve the high state, and these alloys are now widely used in medicine.

Due to the interaction of experimental scientists (led by Professor J. R. Kolobov and PhD Ivanova, MB) and the Laboratory of theoretical studies and computer simulations (Laboratory, Professor Lipnitsky AG), including those specializing in application of supercomputing technology, was able to explain and justify the processes that contribute to the achievement of higher strength, ductility, and reliability of the developed and patented by the Center of nanostructured materials and nanotechnology research institutions "BSU" biocompatible (harmless to a living organism) of unalloyed titanium (titanium VT1-0) with a modified nanocrystalline structure.

The material exceeds the above-doped titanium alloy for strength properties, and its ductility in torsion competitive higher more than two times. In practice, the screw implant, made of alloyed alloy destroyed by bending at an angle of 100 degrees, while the sample of modified titanium stable when rotated about its axis until the angle of 250 degrees, and thus retains the strength characteristics.

Currently, experiments are conducted on computer modeling of the behavior of titanium materials by working in a living organism. Importantly, the unique ability to predict the behavior of materials, especially nano in vivo for decades now available only during computer simulation.

Supercomputer Center at NIU "BSU" was designed and equipped by "T-Platforms", "turnkey". The new cluster, occupying 36th place in the Russian supercomputer ranking top 50, based on the blade system, V-Class, specifically designed for high-performance computing company. In their work, scientists are using the university application software packages ABINIT and VASP for quantum-chemical calculations, and a package Wien2k to calculate the spectra of electron energy-loss during the passage of the electron beam through the material.

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