• 1176 Citations
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20022020

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Article
2003
17 Scopus citations

Using the modified embedded-atom method to calculate the properties of Pu-Ga alloys

Baskes, M. I., Muralidharan, K., Stan, M., Valone, S. M. & Cherne, F. J., Sep 2003, In : JOM. 55, 9, p. 41-50 10 p.

Research output: Contribution to journalArticle

54 Scopus citations
2005

Molecular dynamics studies of brittle fracture in vitreous silica: Review and recent progress

Muralidharan, K., Simmons, J. H., Deymier, P. A. & Runge, K., Jun 15 2005, In : Journal of Non-Crystalline Solids. 351, 18, p. 1532-1542 11 p.

Research output: Contribution to journalArticle

82 Scopus citations
2006

Implementation of consistent embedding for a larger system-Amorphous silica

Muralidharan, K., Mallik, A., Runge, K. & Deymier, P. A., Oct 1 2006, In : Journal of Computer-Aided Materials Design. 13, 1-3, p. 61-73 13 p.

Research output: Contribution to journalArticle

1 Scopus citations
2 Scopus citations
2007

Energetics and mechanical properties of silica nanotubes

Muralidharan, K., Torras, J. & Trickey, S. B., Sep 26 2007, In : Journal of Physics Condensed Matter. 19, 38, 386238.

Research output: Contribution to journalArticle

2 Scopus citations

Environment dependent dynamic charge potential for silica: Application to nanoscale silica structures

Muralidharan, K., Cao, C., Wan, Y. X., Runge, K. & Cheng, H. P., Mar 22 2007, In : Chemical Physics Letters. 437, 1-3, p. 92-98 7 p.

Research output: Contribution to journalArticle

7 Scopus citations

Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica

Muralidharan, K., Oh, K. D., Deymier, P. A., Runge, K. & Simmons, J. H., Jun 1 2007, In : Journal of Materials Science. 42, 12, p. 4159-4169 11 p.

Research output: Contribution to journalArticle

19 Scopus citations

PUPIL: A systematic approach to software integration in multi-scale simulations

Torras, J., He, Y., Cao, C., Muralidharan, K., Deumens, E., Cheng, H. P. & Trickey, S. B., Aug 1 2007, In : Computer Physics Communications. 177, 3, p. 265-279 15 p.

Research output: Contribution to journalArticle

17 Scopus citations
2008

Dynamic compound wavelet matrix method for multiphysics and multiscale problems

Muralidharan, K., Mishra, S. K., Frantziskonis, G., Deymier, P. A., Nukala, P., Simunovic, S. & Pannala, S., Feb 29 2008, In : Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 77, 2, 026714.

Research output: Contribution to journalArticle

15 Scopus citations

Origin of water in the inner Solar System: A kinetic Monte Carlo study of water adsorption on forsterite

Muralidharan, K., Deymier, P., Stimpfl, M., de Leeuw, N. H. & Drake, M. J., Dec 1 2008, In : Icarus. 198, 2, p. 400-407 8 p.

Research output: Contribution to journalArticle

51 Scopus citations

Wavelet-based spatial scaling of coupled reaction-diffusion fields

Mishra, S. K., Muralidharan, K., Deymier, P. A., Frantziskonis, G., Pannala, S. & Simunovic, S., Dec 1 2008, In : International Journal for Multiscale Computational Engineering. 6, 4, p. 281-297 17 p.

Research output: Contribution to journalArticle

8 Scopus citations
2009

Experimental and theoretical evidence for subwavelength imaging in phononic crystals

Sukhovich, A., Merheb, B., Muralidharan, K., Vasseur, J. O., Pennec, Y., Deymier, P. A. & Page, J. H., Apr 17 2009, In : Physical review letters. 102, 15, 154301.

Research output: Contribution to journalArticle

204 Scopus citations

Positive, negative, zero refraction, and beam splitting in a solid/air phononic crystal: Theoretical and experimental study

Bucay, J., Roussel, E., Vasseur, J. O., Deymier, P. A., Hladky-Hennion, A. C., Pennec, Y., Muralidharan, K., Djafari-Rouhani, B. & Dubus, B., Jun 25 2009, In : Physical Review B - Condensed Matter and Materials Physics. 79, 21, 214305.

Research output: Contribution to journalArticle

77 Scopus citations

Time-parallel multiscale/multiphysics framework

Frantziskonis, G., Muralidharan, K., Deymier, P., Simunovic, S., Nukala, P. & Pannala, S., Nov 20 2009, In : Journal of Computational Physics. 228, 21, p. 8085-8092 8 p.

Research output: Contribution to journalArticle

17 Scopus citations

Viscoelastic effect on acoustic band gaps in polymer-fluid composites

Merheb, B., Deymier, P. A., Muralidharan, K., Bucay, J., Jain, M., Aloshyna-Lesuffleur, M., Greger, R. W., Mohanty, S. & Berker, A., Nov 9 2009, In : Modelling and Simulation in Materials Science and Engineering. 17, 7, 075013.

Research output: Contribution to journalArticle

18 Scopus citations
2010

Modeling the coupling of reaction kinetics and hydrodynamics in a collapsing cavity

Mishra, S. K., Deymier, P. A., Muralidharan, K., Frantziskonis, G., Pannala, S. & Simunovic, S., Jan 2010, In : Ultrasonics Sonochemistry. 17, 1, p. 258-265 8 p.

Research output: Contribution to journalArticle

23 Scopus citations

Where on Earth has our water come from?

Leeuw, N. H. D., Catlow, C. R. A., King, H. E., Putnis, A., Muralidharan, K., Deymier, P., Stimpfl, M. & Drake, M. J., Dec 21 2010, In : Chemical Communications. 46, 47, p. 8923-8925 3 p.

Research output: Contribution to journalArticle

23 Scopus citations
2011

Asymmetric energy transport in defected boron nitride nanoribbons: Implications for thermal rectification

Muralidharan, K., Erdmann, R. G., Runge, K. & Deymier, P. A., Dec 1 2011, In : AIP Advances. 1, 4, 041703.

Research output: Contribution to journalArticle

7 Scopus citations

Phase-controlling phononic crystal

Swinteck, N., Robillard, J. F., Bringuier, S., Bucay, J., Muralidharan, K., Vasseur, J. O., Runge, K. & Deymier, P. A., Mar 7 2011, In : Applied Physics Letters. 98, 10, 103508.

Research output: Contribution to journalArticle

21 Scopus citations

Phase-controlling phononic crystals: Realization of acoustic Boolean logic gates

Bringuier, S., Swinteck, N., Vasseur, J. O., Robillard, J. F., Runge, K., Muralidharan, K. & Deymier, P. A., Oct 1 2011, In : Journal of the Acoustical Society of America. 130, 4, p. 1919-1925 7 p.

Research output: Contribution to journalArticle

22 Scopus citations

Phononic metamaterials for thermal management: An atomistic computational study

Robillard, J. F., Muralidharan, K., Bucay, J., Deymier, P. A., Beck, W. & Barker, D., Feb 1 2011, In : Chinese Journal of Physics. 49, 1, p. 448-461 14 p.

Research output: Contribution to journalArticle

16 Scopus citations

Resolution limit of a phononic crystal superlens

Robillard, J. F., Bucay, J., Deymier, P. A., Shelke, A., Muralidharan, K., Merheb, B., Vasseur, J. O., Sukhovich, A. & Page, J. H., Jun 9 2011, In : Physical Review B - Condensed Matter and Materials Physics. 83, 22, 224301.

Research output: Contribution to journalArticle

43 Scopus citations
2013

Accretion disc origin of the Earth's water

Vattuone, L., Smerieri, M., Savio, L., Asaduzzaman, A. M., Muralidharan, K., Drake, M. J. & Rocca, M., Jul 13 2013, In : Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 371, 1994, 20110585.

Research output: Contribution to journalArticle

11 Scopus citations

A first-principles characterization of water adsorption on forsterite grains

Asaduzzaman, A. M., Laref, S., Deymier, P. A., Runge, K., Cheng, H. P., Muralidharan, K. & Drake, M. J., Jul 13 2013, In : Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 371, 1994, 20110582.

Research output: Contribution to journalArticle

18 Scopus citations

Anisotropic permittivity of ultra-thin crystalline Au films: Impacts on the plasmonic response of metasurfaces

Campbell, S. D., Ziolkowski, R. W., Cao, J., Laref, S., Muralidharan, K. & Deymier, P., Aug 26 2013, In : Applied Physics Letters. 103, 9, 091106.

Research output: Contribution to journalArticle

9 Scopus citations

Characterization of graphene-fullerene interactions: Insights from density functional theory

Laref, S., Asaduzzaman, A. M., Beck, W., Deymier, P. A., Runge, K., Adamowicz, L. & Muralidharan, K., Aug 12 2013, In : Chemical Physics Letters. 582, p. 115-118 4 p.

Research output: Contribution to journalArticle

17 Scopus citations

Guidelines for the pressure and efficient sizing of pressure vessels for compressed air energy storage

Proczka, J. J., Muralidharan, K., Villela, D., Simmons, J. H. & Frantziskonis, G., Jan 1 2013, In : Energy Conversion and Management. 65, p. 597-605 9 p.

Research output: Contribution to journalArticle

56 Scopus citations

Impact of local curvature and structural defects on graphene-C60 fullerene fusion reaction barriers

Trzaskowski, B., Adamowicz, L., Beck, W., Muralidharan, K. & Deymier, P. A., Sep 26 2013, In : Journal of Physical Chemistry C. 117, 38, p. 19664-19671 8 p.

Research output: Contribution to journalArticle

12 Scopus citations
15 Scopus citations

Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: A density functional theory study

Laref, S., Cao, J., Asaduzzaman, A., Runge, K., Deymier, P., Ziolkowski, R. W., Miyawaki, M. & Muralidharan, K., May 20 2013, In : Optics Express. 21, 10, p. 11827-11838 12 p.

Research output: Contribution to journalArticle

38 Scopus citations
2014
5 Scopus citations

Exploring structures and properties of new geodesic polyarenes

Trzaskowski, B., Adamowicz, L., Beck, W., Muralidharan, K. & Deymier, P. A., Mar 18 2014, In : Chemical Physics Letters. 595-596, p. 6-12 7 p.

Research output: Contribution to journalArticle

3 Scopus citations

Molecular dynamics simulations and thermodynamic modeling of NaCl-KCl-ZnCl2 ternary system

Manga, V. R., Bringuier, S., Paul, J., Jayaraman, S., Lucas, P., Deymier, P. & Muralidharan, K., Sep 2014, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 46, p. 176-183 8 p.

Research output: Contribution to journalArticle

14 Scopus citations

Multi-phonon scattering processes in one-dimensional anharmonic biological superlattices: Understanding the dissipation of mechanical waves in mineralized tissues

Guerder, P. Y., Deymier-Black, A. C., Swinteck, N. Z., Vasseur, J. Ô. O., Bou-Matar, O., Muralidharan, K. & Deymier, P. A., Sep 2014, In : Journal of the Mechanical Behavior of Biomedical Materials. 37, p. 24-32 9 p.

Research output: Contribution to journalArticle

3 Scopus citations

Rotational modes in a phononic crystal with fermion-like behavior

Deymier, P. A., Runge, K., Swinteck, N. & Muralidharan, K., Apr 28 2014, In : Journal of Applied Physics. 115, 16, 163510.

Research output: Contribution to journalArticle

15 Scopus citations
2015

An atomic scale characterization of coupled grain boundary motion in silicon bicrystals

Bringuier, S., Manga, V. R., Runge, K., Deymier, P. & Muralidharan, K., Dec 22 2015, In : Philosophical Magazine. 95, 36, p. 4118-4129 12 p.

Research output: Contribution to journalArticle

3 Scopus citations

Energetics of substituted polyhedral oligomeric silsesquioxanes: A DFT study

Asaduzzaman, A., Runge, K. A., Muralidharan, K., Deymier, P. A. & Zhang, L., Jul 13 2015, In : MRS Communications. 5, 3, p. 519-524 6 p.

Research output: Contribution to journalArticle

2 Scopus citations

Grain boundary dynamics of SiC bicrystals under shear deformation

Bringuier, S., Manga, V. R., Runge, K. A., Deymier, P. A. & Muralidharan, K., May 4 2015, In : Materials Science and Engineering A. 634, p. 161-166 6 p.

Research output: Contribution to journalArticle

7 Scopus citations

Graphene mediated self-assembly of fullerene nanorods

Gnanaprakasa, T. J., Sridhar, D., Beck, W. J., Runge, K., Potter, B. G., Zega, T. J., Deymier, P. A., Raghavan, S. & Muralidharan, K., Feb 4 2015, In : Chemical Communications. 51, 10, p. 1858-1861 4 p.

Research output: Contribution to journalArticle

10 Scopus citations
12 Scopus citations

Self-assembled fullerene additives for boosting the capacity of activated carbon electrodes in supercapacitors

Sridhar, D., Balakrishnan, K., Gnanaprakasa, T. J., Raghavan, S. & Muralidharan, K., 2015, In : RSC Advances. 5, 78, p. 63834-63838 5 p.

Research output: Contribution to journalArticle

5 Scopus citations

The role of copper pretreatment on the morphology of graphene grown by chemical vapor deposition

Gnanaprakasa, T. J., Gu, Y., Eddy, S. K., Han, Z., Beck, W. J., Muralidharan, K. & Raghavan, S., Jan 5 2015, In : Microelectronic Engineering. 131, p. 1-7 7 p.

Research output: Contribution to journalArticle

13 Scopus citations

Torsional topology and fermion-like behavior of elastic waves in phononic structures

Deymier, P. A., Runge, K. A., Swinteck, N. & Muralidharan, K., Jan 15 2015, (Accepted/In press) In : Comptes Rendus - Mecanique.

Research output: Contribution to journalArticle

19 Scopus citations
2016

A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders

Sadat, M. R., Bringuier, S., Asaduzzaman, A., Muralidharan, K. & Zhang, L., Oct 7 2016, In : Journal of Chemical Physics. 145, 13, 134706.

Research output: Contribution to journalArticle

19 Scopus citations

An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders

Sadat, M. R., Bringuier, S., Muralidharan, K., Runge, K. A., Asaduzzaman, A. & Zhang, L., Feb 15 2016, In : Journal of Non-Crystalline Solids. 434, p. 53-61 9 p.

Research output: Contribution to journalArticle

18 Scopus citations

Interplay between structure and transport properties of molten salt mixtures of ZnCl2-NaCl-KCl: A molecular dynamics study

Manga, V. R., Swinteck, N., Bringuier, S., Lucas, P., Deymier, P. A. & Muralidharan, K., 2016, In : The Journal of Chemical Physics. 144, 9, 094501.

Research output: Contribution to journalArticle

13 Scopus citations

Nonlinear Phonon Modes in Second-Order Anharmonic Coupled Monoatomic Chains

Dubus, B., Swinteck, N., Muralidharan, K., Vasseur, J. O. & Deymier, P. A., Aug 1 2016, In : Journal of Vibration and Acoustics, Transactions of the ASME. 138, 4, 041016.

Research output: Contribution to journalArticle

2 Scopus citations

Processing Low-Oxide ZrB2 Ceramics with High Strength Using Boron Carbide and Spark Plasma Sintering

Pham, D., Dycus, J. H., LeBeau, J. M., Manga, V. R., Muralidharan, K., Corral, E. L. & Fahrenhotlz, W., Aug 1 2016, In : Journal of the American Ceramic Society. 99, 8, p. 2585-2592 8 p.

Research output: Contribution to journalArticle

6 Scopus citations

Structure of ZnCl2 melt. Part I: Raman spectroscopy analysis driven by Ab initio methods

Alsayoud, A. Q., Venkateswara Rao, M., Edwards, A. N., Deymier, P. A., Muralidharan, K., Potter, B. G., Runge, K. A. & Lucas, P., May 5 2016, In : Journal of Physical Chemistry B. 120, 17, p. 4174-4181 8 p.

Research output: Contribution to journalArticle

12 Scopus citations