Search Results - "Kalia, R K"

Structure and dynamics of shock-induced nanobubble collapse in water by Vedadi, M, Choubey, A, Nomura, K, Kalia, R K, Nakano, A, Vashishta, P, van Duin, A C T

“…Shock-induced collapse of nanobubbles in water is investigated with molecular dynamics simulations based on a reactive force field. We observe a focused jet at…”
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Genetic structure and diversity of India hybrid tea by Raina, S. N, Ahuja, P. S, Sharma, R. K, Das, S. C, Bhardwaj, P, Negi, R, Sharma, V, Singh, S. S, Sud, R. K, Kalia, R. K, Pandey, V, Banik, J, Razdan, V, Sehgal, D, Dar, T. H, Kumar, A, Bali, S, Bhat, V, Sharma, S, Prasanna, B. M, Goel, S, Negi, M. S, Vijayan, P, Tripathi, S. B, Bera, B, Hazarika, M, Mandal, A. K. A, Kumar, R. R, Vijayan, D, Ramkumar, S, Chowdhury, B. R, Mandi, S. S

“…The most important evolutionary event in the success of commercial tea cultivation outside China in ~30 countries came about by the origin of India hybrid tea…”
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Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals by Hasnaoui, A., Politano, O., Salazar, J.M., Aral, G., Kalia, R.K., Nakano, A., Vashishta, P.

“…The oxidation of aluminum single crystals is studied using molecular dynamics (MD) simulations with dynamic charge transfer between atoms. The simulations are…”
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Induction of somatic embryogenesis in Pinus roxburghii sarg by ARYA, S, KALIA, R. K, ARYA, I. D

“…Embryogenic calli were initiated from embryonic explants of Pinus roxburghii using female gametophytes containing immature pre-cotyledonary embryos. Zygotic…”
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Mechanochemistry of shock-induced nanobubble collapse near silica in water by Nomura, K., Kalia, R. K., Nakano, A., Vashishta, P., van Duin, A. C. T.

“…We have performed million-atom reactive molecular dynamics simulations to study shock-induced bubble collapse near an amorphous silica surface. We observe the…”
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Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory by Shimojo, F., Ohmura, S., Nakano, A., Kalia, R. K., Vashishta, P.

“…A linear-scaling algorithm based on a divide-and-conquer (DC) scheme is designed to perform large-scale molecular-dynamics simulations, in which interatomic…”
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Dynamics of Consolidation and Crack Growth in Nanocluster-Assembled Amorphous Silicon Nitride by Tsuruta, Kenji, Nakano, Aiichiro, Kalia, Rajiv K., Vashishta, Priya

“…Consolidation and fracture dynamics in nanophase amorphous Si3N4 are investigated using 106‐atom molecular‐dynamics simulations. At a pressure of 15 GPa and…”
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ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations by Rountree, Cindy L, Kalia, Rajiv K, Lidorikis, Elefterios, Nakano, Aiichiro, Van Brutzel, Laurent, Vashishta, Priya

“…Atomistic aspects of dynamic fracture in a variety of brittle crystalline, amorphous, nanophase, and nanocomposite materials are reviewed. Molecular dynamics…”
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Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory by Shimojo, F., Ohmura, S., Nakano, A., Kalia, R. K., Vashishta, P.

“…A linear-scaling algorithm based on a divide-and-conquer (DC) scheme is designed to perform large-scale molecular-dynamics simulations, in which interatomic…”
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Structural correlations at Si/Si3N4 interface and atomic stresses in Si/Si3N4 nanopixel-10 million-atom molecular dynamics simulation on parallel computers by BACHLECHNER, M. E, KALIA, R. K, NAKANO, A, OMELTCHENKO, A, VASISHTA, P, EBBSJÖ, I, MADHUKAR, A, ZHAO, G.-L

“…Calculations of charge transfer at the Si/Si3N4 interface were combined with interaction potential models for bulk Si and Si3N4 to produce a model for the…”
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Parallel Molecular Dynamics Simulations of High Temperature Ceramics by Chatterjee, Alok, Campbell, Timothy, Kalia, Rajiv K, Nakano, Aiichiro, Omeltchenko, Andrey, Tsuruta, Kenji, Vashishta, Priya, Ogata, Shuji

“…‘Grand Challenge’ atomistic simulations of high-temperature structural materials are performed on multiple, parallel platforms. The simulations focus on…”
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High-energy oxygen phonon modes and superconductivity in Ba1-xKxBiO3: an inelastic-neutron-scattering experiment and molecular-dynamics simulation by LOONG, C.-K, VASHISHTA, P, ZHENG, Y, KALIA, R. K, DEGANI, M. H, PRICE, D. L, JORGENSEN, J. D, HINKS, D. G, DABROWSKI, B, MITCHELL, A. W, RICHARDS, D. R

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Ground state of excitonic molecules by the Green's function Monte Carlo method by LEE, M. A, VASHISHTA, P, KALIA, R. K

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Coupling length scales for multiscale atomistics-continuum simulations: atomistically induced stress distributions in Si/Si3N4 nanopixels by Lidorikis, E, Bachlechner, M E, Kalia, R K, Nakano, A, Vashishta, P, Voyiadjis, G Z

“…A hybrid molecular-dynamics (MD) and finite-element simulation approach is used to study stress distributions in silicon/silicon-nitride nanopixels. The hybrid…”
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Scalable and portable implementation of the fast multipole method on parallel computers by Ogata, Shuji, Campbell, Timothy J, Kalia, Rajiv K, Nakano, Aiichiro, Vashishta, Priya, Vemparala, Satyavani

“…A scalable and portable Fortran code is developed to calculate Coulomb interaction potentials of charged particles on parallel computers, based on the fast…”
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Silica under very large positive and negative pressures : Molecular dynamics simulations on parallel computers by VASHISHTA, P, KALIA, R. K, NAKANO, A, JIN, W

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Oxygen isotope effect in superconducting Ba1-xKxBiO3 from phonon density of states by LOONG, C.-K, HINKS, D. G, RICHARDS, D. R, ZHENG, Y, VASHISHTA, P, JIN, W, KALIA, R. K, DEGANI, M. H, PRICE, D. L, JORGENSEN, J. D, DABROWSKI, B, MITCHELL, A. W

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Multiscale simulation of nanosystems by Nakano, A., Bachlechner, M.E., Kalia, R.K., Lidorikis, E., Vashishta, P., Voyiadjis, G.Z., Campbell, T.J., Ogata, S., Shimojo, F.

“…The authors describe simulation approaches that seamlessly combine continuum mechanics with atomistic simulations and quantum mechanics. They also discuss…”
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Dynamics and morphology of brittle cracks: A molecular-dynamics study of silicon nitride by Nakano, A, Kalia, RK, Vashishta, P

“…Crack propagation in amorphous Si sub 3 N sub 4 films is investigated with large-scale molecular-dynamics simulations on parallel machines. We observe a…”
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Scalable and portable visualization of large atomistic datasets by Sharma, Ashish, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya

“…A scalable and portable code named Atomsviewer has been developed to interactively visualize a large atomistic dataset consisting of up to a billion atoms. The…”
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