Year |
Citation |
Score |
2023 |
Deymier AC, Deymier PA, Latypov M, Muralidharan K. Effect of stress on the dissolution/crystallization of apatite in aqueous solution: a thermochemical equilibrium study. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 381: 20220242. PMID 37211040 DOI: 10.1098/rsta.2022.0242 |
0.701 |
|
2021 |
Sadat MR, Muralidharan K, Frantziskonis GN, Zhang L. From atomic-scale to mesoscale: A characterization of geopolymer composites using molecular dynamics and peridynamics simulations Computational Materials Science. 186: 110038. DOI: 10.1016/J.Commatsci.2020.110038 |
0.785 |
|
2020 |
Asaduzzaman A, Runge K, Deymier P, Muralidharan K. Effect of Ligand Adsorption on the Electronic Properties of the PbS(100) Surface. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33112623 DOI: 10.1021/acs.langmuir.0c02425 |
0.762 |
|
2020 |
Rao P, Muralidharan K, Momayez M, Runge KA, Loy D. Direct foaming driven synthesis and thermophysical characterization of silica-alumina foams: Applications for thermal insulation Ceramics International. 46: 10431-10441. DOI: 10.1016/J.Ceramint.2020.01.042 |
0.611 |
|
2020 |
Rao PR, Momayez M, Runge KA, Muralidharan K. Recent Developments in Thermally Insulating Materials Based on Geopolymers—a Review Article Mining, Metallurgy & Exploration. 37: 995-1014. DOI: 10.1007/s42461-020-00201-0 |
0.532 |
|
2019 |
Gur S, Sadat MR, Frantziskonis GN, Bringuier S, Zhang L, Muralidharan K. The effect of grain-size on fracture of polycrystalline silicon carbide: A multiscale analysis using a molecular dynamics-peridynamics framework Computational Materials Science. 159: 341-348. DOI: 10.1016/J.Commatsci.2018.12.038 |
0.774 |
|
2018 |
Pham D, Dycus JH, LeBeau JM, Manga VR, Muralidharan K, Corral EL. Thermochemical model on the carbothermal reduction of oxides during spark plasma sintering of zirconium diboride Journal of the American Ceramic Society. 102: 757-767. DOI: 10.1111/Jace.15911 |
0.722 |
|
2018 |
Gur S, Frantziskonis GN, Muralidharan K. Atomistic simulation of shape memory effect (SME) and superelasticity (SE) in nano-porous NiTi shape memory alloy (SMA) Computational Materials Science. 152: 28-37. DOI: 10.1016/J.Commatsci.2018.05.031 |
0.637 |
|
2018 |
Sadat MR, Muralidharan K, Zhang L. Reactive molecular dynamics simulation of the mechanical behavior of sodium aluminosilicate geopolymer and calcium silicate hydrate composites Computational Materials Science. 150: 500-509. DOI: 10.1016/J.Commatsci.2018.04.041 |
0.781 |
|
2018 |
Sadat MR, Bringuier S, Muralidharan K, Frantziskonis G, Zhang L. Atomic-scale dynamics and mechanical response of geopolymer binder under nanoindentation Computational Materials Science. 142: 227-236. DOI: 10.1016/J.Commatsci.2017.10.026 |
0.764 |
|
2018 |
Alsayoud AQ, Manga VR, Muralidharan K, Vita J, Bringuier S, Runge K, Deymier P. Atomistic insights into the effect of polymerization on the thermophysical properties of 2-D C60 molecular solids Carbon. 133: 267-274. DOI: 10.1016/J.Carbon.2018.01.044 |
0.769 |
|
2017 |
Lucas P, Coleman GJ, Venkateswara Rao M, Edwards AN, Devaadithya C, Wei S, Alsayoud AQ, Potter BG, Muralidharan K, Deymier PA. Structure of ZnCl2 Melt Part II: Fragile-to-Strong Transition in a Tetrahedral Liquid. The Journal of Physical Chemistry. B. PMID 29166015 DOI: 10.1021/Acs.Jpcb.7B10857 |
0.729 |
|
2017 |
Huang W, Bringuier S, Paul J, Simmons-Potter K, Muralidharan K, Potter BG. An atomistic assessment of the impact of flaw orientation on the elastic and failure behavior of single-crystal Si nanometre-thick slabs Philosophical Magazine. 97: 2425-2436. DOI: 10.1080/14786435.2017.1340686 |
0.748 |
|
2017 |
Gur S, Manga VR, Bringuier S, Muralidharan K, Frantziskonis GN. Evolution of internal strain in austenite phase during thermally induced martensitic phase transformation in NiTi shape memory alloys Computational Materials Science. 133: 52-59. DOI: 10.1016/J.Commatsci.2017.03.012 |
0.761 |
|
2016 |
Sadat MR, Bringuier S, Asaduzzaman A, Muralidharan K, Zhang L. A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders. The Journal of Chemical Physics. 145: 134706. PMID 27782442 DOI: 10.1063/1.4964301 |
0.783 |
|
2016 |
Alsayoud AQ, Venkateswara Rao M, Edwards AN, Deymier PA, Muralidharan K, Potter BG, Runge K, Lucas P. Structure of ZnCl2 Melt Part I: Raman Spectroscopy Analysis Driven by Ab Initio Methods. The Journal of Physical Chemistry. B. PMID 27070739 DOI: 10.1021/Acs.Jpcb.6B02452 |
0.783 |
|
2016 |
Manga VR, Swinteck N, Bringuier S, Lucas P, Deymier P, Muralidharan K. Interplay between structure and transport properties of molten salt mixtures of ZnCl2-NaCl-KCl: A molecular dynamics study. The Journal of Chemical Physics. 144: 094501. PMID 26957165 DOI: 10.1063/1.4942588 |
0.76 |
|
2016 |
Asaduzzaman A, Runge K, Deymier PA, Muralidharan K. The role of aluminum substitution on the stability of substituted polyhedral oligomeric silsesquioxanes Zeitschrift Fur Physikalische Chemie. 230: 1005-1014. DOI: 10.1515/Zpch-2015-0706 |
0.77 |
|
2016 |
Dubus B, Swinteck N, Muralidharan K, Vasseur JO, Deymier PA. Nonlinear Phonon Modes in Second-Order Anharmonic Coupled Monoatomic Chains Journal of Vibration and Acoustics. 138. DOI: 10.1115/1.4033457 |
0.728 |
|
2016 |
Pham D, Dycus JH, LeBeau JM, Manga VR, Muralidharan K, Corral EL, Fahrenhotlz W. Processing Low-Oxide ZrB2 Ceramics with High Strength Using Boron Carbide and Spark Plasma Sintering Journal of the American Ceramic Society. 99: 2585-2592. DOI: 10.1111/Jace.14253 |
0.746 |
|
2016 |
Sadat MR, Bringuier S, Muralidharan K, Runge K, Asaduzzaman A, Zhang L. An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders Journal of Non-Crystalline Solids. 434: 53-61. DOI: 10.1016/J.Jnoncrysol.2015.11.022 |
0.779 |
|
2016 |
Muralidharan K, Runge K, Deymier PA. Consistent embedding frameworks for predictive multi-theory multiscale simulations Springer Series in Materials Science. 226: 249-297. DOI: 10.1007/978-3-319-24529-4_6 |
0.775 |
|
2016 |
Valone SM, Muralidharan K, Runge K. Interatomic potentials including chemistry Springer Series in Materials Science. 226: 107-194. DOI: 10.1007/978-3-319-24529-4_3 |
0.578 |
|
2015 |
Gnanaprakasa TJ, Sridhar D, Beck WJ, Runge K, Potter BG, Zega TJ, Deymier PA, Raghavan S, Muralidharan K. Graphene mediated self-assembly of fullerene nanorods. Chemical Communications (Cambridge, England). 51: 1858-61. PMID 25525648 DOI: 10.1039/C4Cc09362C |
0.76 |
|
2015 |
Asaduzzaman A, Runge K, Muralidharan K, Deymier PA, Zhang L. Energetics of substituted polyhedral oligomeric silsesquioxanes: A DFT study Mrs Communications. 5: 519-524. DOI: 10.1557/Mrc.2015.58 |
0.783 |
|
2015 |
Asaduzzaman A, Muralidharan K, Ganguly J. Incorporation of water into olivine during nebular condensation: Insights from density functional theory and thermodynamics, and implications for phyllosilicate formation and terrestrial water inventory Meteoritics and Planetary Science. 50: 578-589. DOI: 10.1111/Maps.12409 |
0.707 |
|
2015 |
Bringuier S, Manga VR, Runge K, Deymier P, Muralidharan K. An atomic scale characterization of coupled grain boundary motion in silicon bicrystals Philosophical Magazine. 95: 4118-4129. DOI: 10.1080/14786435.2015.1115904 |
0.757 |
|
2015 |
Gnanaprakasa TJ, Sridhar D, Beck WJ, Runge K, Potter BG, Zega TJ, Deymier PA, Raghavan S, Muralidharan K. Graphene mediated self-assembly of fullerene nanorods Chemical Communications. 51: 1858-1861. DOI: 10.1039/c4cc09362c |
0.75 |
|
2015 |
Bringuier S, Manga VR, Runge K, Deymier P, Muralidharan K. Grain boundary dynamics of SiC bicrystals under shear deformation Materials Science and Engineering A. 634: 161-166. DOI: 10.1016/J.Msea.2015.03.022 |
0.757 |
|
2015 |
Deymier PA, Runge K, Swinteck N, Muralidharan K. Torsional topology and fermion-like behavior of elastic waves in phononic structures Comptes Rendus - Mecanique. 343: 700-711. DOI: 10.1016/J.Crme.2015.07.003 |
0.776 |
|
2014 |
Guerder PY, Deymier-Black AC, Swinteck NZ, Vasseur JO, Bou-Matar O, Muralidharan K, Deymier PA. Multi-phonon scattering processes in one-dimensional anharmonic biological superlattices: understanding the dissipation of mechanical waves in mineralized tissues. Journal of the Mechanical Behavior of Biomedical Materials. 37: 24-32. PMID 24878965 DOI: 10.1016/J.Jmbbm.2014.05.001 |
0.736 |
|
2014 |
Deymier PA, Runge K, Swinteck N, Muralidharan K. Rotational modes in a phononic crystal with fermion-like behavior Journal of Applied Physics. 115. DOI: 10.1063/1.4872142 |
0.782 |
|
2014 |
Asaduzzaman AM, Zega TJ, Laref S, Runge K, Deymier PA, Muralidharan K. A computational investigation of adsorption of organics on mineral surfaces: Implications for organics delivery in the early solar system Earth and Planetary Science Letters. 408: 355-361. DOI: 10.1016/J.Epsl.2014.10.029 |
0.758 |
|
2014 |
Trzaskowski B, Adamowicz L, Beck W, Muralidharan K, Deymier PA. Exploring structures and properties of new geodesic polyarenes Chemical Physics Letters. 595: 6-12. DOI: 10.1016/J.Cplett.2014.01.039 |
0.739 |
|
2014 |
Manga VR, Bringuier S, Paul J, Jayaraman S, Lucas P, Deymier P, Muralidharan K. Molecular dynamics simulations and thermodynamic modeling of NaCl-KCl-ZnCl2 ternary system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 46: 176-183. DOI: 10.1016/J.Calphad.2014.04.004 |
0.772 |
|
2013 |
Laref S, Cao J, Asaduzzaman A, Runge K, Deymier P, Ziolkowski RW, Miyawaki M, Muralidharan K. Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: a density functional theory study. Optics Express. 21: 11827-38. PMID 23736404 DOI: 10.1364/Oe.21.011827 |
0.76 |
|
2013 |
Vattuone L, Smerieri M, Savio L, Asaduzzaman AM, Muralidharan K, Drake MJ, Rocca M. Accretion disc origin of the Earth's water. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 371: 20110585. PMID 23734050 DOI: 10.1098/Rsta.2011.0585 |
0.691 |
|
2013 |
Asaduzzaman AM, Laref S, Deymier PA, Runge K, Cheng HP, Muralidharan K, Drake MJ. A first-principles characterization of water adsorption on forsterite grains. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 371: 20110582. PMID 23734049 DOI: 10.1098/Rsta.2011.0582 |
0.765 |
|
2013 |
Cao J, Balachandran R, Keswani M, Muralidharan K, Laref S, Ziolkowski R, Runge K, Deymier P, Raghavan S, Miyawaki M. New plasmonic materials in visible spectrum through electrical charging Proceedings of Spie - the International Society For Optical Engineering. 8632. DOI: 10.1117/12.2002883 |
0.774 |
|
2013 |
Swinteck NZ, Muralidharan K, Deymier PA. Phonon scattering in one-dimensional anharmonic crystals and superlattices: Analytical and numerical study Journal of Vibration and Acoustics, Transactions of the Asme. 135. DOI: 10.1115/1.4023824 |
0.734 |
|
2013 |
Campbell SD, Ziolkowski RW, Cao J, Laref S, Muralidharan K, Deymier P. Anisotropic permittivity of ultra-thin crystalline Au films: Impacts on the plasmonic response of metasurfaces Applied Physics Letters. 103. DOI: 10.1063/1.4819770 |
0.731 |
|
2013 |
Trzaskowski B, Adamowicz L, Beck W, Muralidharan K, Deymier PA. Impact of local curvature and structural defects on graphene-C60 fullerene fusion reaction barriers Journal of Physical Chemistry C. 117: 19664-19671. DOI: 10.1021/Jp405301E |
0.717 |
|
2013 |
Proczka JJ, Muralidharan K, Villela D, Simmons JH, Frantziskonis G. Guidelines for the pressure and efficient sizing of pressure vessels for compressed air energy storage Energy Conversion and Management. 65: 597-605. DOI: 10.1016/J.Enconman.2012.09.013 |
0.577 |
|
2013 |
Laref S, Asaduzzaman AM, Beck W, Deymier PA, Runge K, Adamowicz L, Muralidharan K. Characterization of graphene-fullerene interactions: Insights from density functional theory Chemical Physics Letters. 582: 115-118. DOI: 10.1016/J.Cplett.2013.07.033 |
0.767 |
|
2012 |
Bringuier S, Swinteck N, Vasseur JO, Robillard JF, Runge K, Muralidharan K, Deymier PA. Phase-controlling phononic crystals: realization of acoustic Boolean logic gates. The Journal of the Acoustical Society of America. 130: 1919-25. PMID 21973346 DOI: 10.1121/1.3631627 |
0.769 |
|
2011 |
Robillard JF, Bucay J, Deymier PA, Shelke A, Muralidharan K, Merheb B, Vasseur JO, Sukhovich A, Page JH. Resolution limit of a phononic crystal superlens Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.224301 |
0.724 |
|
2011 |
Muralidharan K, Erdmann RG, Runge K, Deymier PA. Asymmetric energy transport in defected boron nitride nanoribbons: Implications for thermal rectification Aip Advances. 1. DOI: 10.1063/1.3675924 |
0.779 |
|
2011 |
Swinteck N, Robillard JF, Bringuier S, Bucay J, Muralidharan K, Vasseur JO, Runge K, Deymier PA. Phase-controlling phononic crystal Applied Physics Letters. 98. DOI: 10.1063/1.3559599 |
0.771 |
|
2010 |
de Leeuw NH, Catlow CR, King HE, Putnis A, Muralidharan K, Deymier P, Stimpfl M, Drake MJ. Where on Earth has our water come from? Chemical Communications (Cambridge, England). 46: 8923-5. PMID 20967372 DOI: 10.1039/C0Cc02312D |
0.709 |
|
2010 |
Mishra SK, Deymier PA, Muralidharan K, Frantziskonis G, Pannala S, Simunovic S. Modeling the coupling of reaction kinetics and hydrodynamics in a collapsing cavity. Ultrasonics Sonochemistry. 17: 258-65. PMID 19520598 DOI: 10.1016/J.Ultsonch.2009.05.014 |
0.708 |
|
2009 |
Sukhovich A, Merheb B, Muralidharan K, Vasseur JO, Pennec Y, Deymier PA, Page JH. Experimental and theoretical evidence for subwavelength imaging in phononic crystals. Physical Review Letters. 102: 154301. PMID 19518637 DOI: 10.1103/Physrevlett.102.154301 |
0.725 |
|
2009 |
Bucay J, Roussel E, Vasseur JO, Deymier PA, Hladky-Hennion AC, Pennec Y, Muralidharan K, Djafari-Rouhani B, Dubus B. Positive, negative, zero refraction, and beam splitting in a solid/air phononic crystal: Theoretical and experimental study Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.214305 |
0.726 |
|
2009 |
Merheb B, Deymier PA, Muralidharan K, Bucay J, Jain M, Aloshyna-Lesuffleur M, Greger RW, Mohanty S, Berker A. Viscoelastic effect on acoustic band gaps in polymer-fluid composites Modelling and Simulation in Materials Science and Engineering. 17. DOI: 10.1088/0965-0393/17/7/075013 |
0.732 |
|
2009 |
Frantziskonis G, Muralidharan K, Deymier P, Simunovic S, Nukala P, Pannala S. Time-parallel multiscale/multiphysics framework Journal of Computational Physics. 228: 8085-8092. DOI: 10.1016/J.Jcp.2009.07.035 |
0.712 |
|
2008 |
Muralidharan K, Mishra SK, Frantziskonis G, Deymier PA, Nukala P, Simunovic S, Pannala S. Dynamic compound wavelet matrix method for multiphysics and multiscale problems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 026714. PMID 18352155 DOI: 10.1103/Physreve.77.026714 |
0.729 |
|
2008 |
Mishra SK, Muralidharan K, Pannala S, Simunovic S, Daw CS, Nukala P, Fox R, Deymier PA, Frantziskonis GN. Spatiotemporal Compound Wavelet Matrix Framework for Multiscale/Multiphysics Reactor Simulation: Case Study of a Heterogeneous Reaction/Diffusion System International Journal of Chemical Reactor Engineering. 6. DOI: 10.2202/1542-6580.1715 |
0.718 |
|
2008 |
Mishra SK, Muralidharan K, Deymier PA, Frantziskonis G, Pannala S, Simunovic S. Wavelet-Based Spatial Scaling of Coupled Reaction-Diffusion Fields International Journal For Multiscale Computational Engineering. 6: 281-297. DOI: 10.1615/Intjmultcompeng.V6.I4.10 |
0.712 |
|
2008 |
Muralidharan K, Deymier P, Stimpfl M, de Leeuw NH, Drake MJ. Origin of water in the inner Solar System: A kinetic Monte Carlo study of water adsorption on forsterite Icarus. 198: 400-407. DOI: 10.1016/J.Icarus.2008.07.017 |
0.728 |
|
2007 |
Muralidharan K, Keswani M, Shende H, Deymier P, Raghavan S, Eschbach F, Sengupta A. Experimental and simulation investigations of acoustic cavitation in megasonic cleaning Proceedings of Spie. 6517. DOI: 10.1117/12.712464 |
0.739 |
|
2007 |
Muralidharan K, Torras J, Trickey SB. Energetics and mechanical properties of silica nanotubes Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/38/386238 |
0.324 |
|
2007 |
Muralidharan K, Cao C, Wan YX, Runge K, Cheng HP. Environment dependent dynamic charge potential for silica: Application to nanoscale silica structures Chemical Physics Letters. 437: 92-98. DOI: 10.1016/J.Cplett.2007.01.081 |
0.616 |
|
2007 |
Muralidharan K, Oh KD, Deymier PA, Runge K, Simmons JH. Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica Journal of Materials Science. 42: 4159-4169. DOI: 10.1007/S10853-007-1638-2 |
0.781 |
|
2006 |
Muralidharan K, Mallik A, Runge K, Deymier PA. Implementation of consistent embedding for a larger system-Amorphous silica Journal of Computer-Aided Materials Design. 13: 61-73. DOI: 10.1007/S10820-006-9015-Z |
0.744 |
|
2006 |
Deymier PA, Oh K, Muralidharan K, Frantzikonis G, Runge K. Selection of domains for coarse and fine levels of description in mixed-potential simulations Journal of Computer-Aided Materials Design. 13: 17-44. DOI: 10.1007/S10820-006-9013-1 |
0.782 |
|
2006 |
Cheng H, Wang L, Du M, Cao C, Wan Y, He Y, Muralidharan K, Greenlee G, Kolchin A. Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems Journal of Computer-Aided Materials Design. 13: 161-183. DOI: 10.1007/S10820-006-9009-X |
0.325 |
|
2005 |
Muralidharan K, Simmons JH, Deymier PA, Runge K. Molecular dynamics studies of brittle fracture in vitreous silica: Review and recent progress Journal of Non-Crystalline Solids. 351: 1532-1542. DOI: 10.1016/J.Jnoncrysol.2005.03.026 |
0.782 |
|
2005 |
Muralidharan K, Deymier P, Simmons JH. Dynamics of brittle fracture in amorphous silica: A molecular dynamics study Transactions of the American Nuclear Society. 92: 711-712. |
0.585 |
|
2003 |
Muralidharan K, Deymier PA, Simmons JH. A concurrent multiscale finite difference time domain/molecular dynamics method for bridging an elastic continuum to an atomic system Modelling and Simulation in Materials Science and Engineering. 11: 487-501. DOI: 10.1088/0965-0393/11/4/306 |
0.786 |
|
2002 |
Muralidharan K, Deymier PA, Simmons JH. Multiscale modeling of wave propagation: FDTD/MD hybrid method Materials Research Society Symposium - Proceedings. 731: 15-20. DOI: 10.1557/Proc-731-W4.7 |
0.792 |
|
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