Kalia RK - Search Results

1

Inelastic Neutron Scattering Study of Phonon Density of States of Iodine Oxides and First-Principles Calculations.

Kolesnikov AI, Krishnamoorthy A, Nomura KI, Wu Z, Abernathy DL, Huq A, Granroth GE, Christe KO, Haiges R, Kalia RK, Nakano A, Vashishta P. Kolesnikov AI, et al. Among authors: kalia rk. J Phys Chem Lett. 2023 Nov 9;14(44):10080-10087. doi: 10.1021/acs.jpclett.3c02357. Epub 2023 Nov 2. J Phys Chem Lett. 2023. PMID: 37917420 Free PMC article.

2

Coupling length scales for multiscale atomistics-continuum simulations: atomistically induced stress distributions in Si/Si3N4 nanopixels.

Lidorikis E, Bachlechner ME, Kalia RK, Nakano A, Vashishta P, Voyiadjis GZ. Lidorikis E, et al. Among authors: kalia rk. Phys Rev Lett. 2001 Aug 20;87(8):086104. doi: 10.1103/PhysRevLett.87.086104. Epub 2001 Aug 6. Phys Rev Lett. 2001. PMID: 11497965

3

Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers.

Vemparala S, Karki BB, Kalia RK, Nakano A, Vashishta P. Vemparala S, et al. Among authors: kalia rk. J Chem Phys. 2004 Sep 1;121(9):4323-30. doi: 10.1063/1.1775779. J Chem Phys. 2004. PMID: 15332982

4

Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulation.

Vemparala S, Kalia RK, Nakano A, Vashishta P. Vemparala S, et al. Among authors: kalia rk. J Chem Phys. 2004 Sep 15;121(11):5427-33. doi: 10.1063/1.1781120. J Chem Phys. 2004. PMID: 15352837

5

Multiple grains in nanocrystals: effect of initial shape and size on transformed structures under pressure.

Kodiyalam S, Kalia RK, Nakano A, Vashishta P. Kodiyalam S, et al. Among authors: kalia rk. Phys Rev Lett. 2004 Nov 12;93(20):203401. doi: 10.1103/PhysRevLett.93.203401. Epub 2004 Nov 11. Phys Rev Lett. 2004. PMID: 15600922

6

Dynamics of wing cracks and nanoscale damage in glass.

Lu Z, Nomura K, Sharma A, Wang W, Zhang C, Nakano A, Kalia R, Vashishta P, Bouchaud E, Rountree C. Lu Z, et al. Phys Rev Lett. 2005 Sep 23;95(13):135501. doi: 10.1103/PhysRevLett.95.135501. Epub 2005 Sep 20. Phys Rev Lett. 2005. PMID: 16197145

7

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

Vashishta P, Kalia RK, Nakano A. Vashishta P, et al. Among authors: kalia rk. J Phys Chem B. 2006 Mar 2;110(8):3727-33. doi: 10.1021/jp0556153. J Phys Chem B. 2006. PMID: 16494430

8

Shock-induced structural phase transition, plasticity, and brittle cracks in aluminum nitride ceramic.

Branicio PS, Kalia RK, Nakano A, Vashishta P. Branicio PS, et al. Among authors: kalia rk. Phys Rev Lett. 2006 Feb 17;96(6):065502. doi: 10.1103/PhysRevLett.96.065502. Epub 2006 Feb 15. Phys Rev Lett. 2006. PMID: 16606007

9

1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study.

Umezawa N, Kalia RK, Nakano A, Vashista P, Shimojo F. Umezawa N, et al. Among authors: kalia rk. J Chem Phys. 2007 Jun 21;126(23):234702. doi: 10.1063/1.2200352. J Chem Phys. 2007. PMID: 17600430

10

Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation.

Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin AC, Goddard WA 3rd. Nomura K, et al. Among authors: kalia rk. Phys Rev Lett. 2007 Oct 5;99(14):148303. doi: 10.1103/PhysRevLett.99.148303. Epub 2007 Oct 5. Phys Rev Lett. 2007. PMID: 17930730

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