• 918 Citations
  • 15 h-Index
20022018
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Research Output 2002 2018

  • 918 Citations
  • 15 h-Index
  • 61 Article
  • 9 Conference contribution
  • 2 Chapter
2018
1 Citations

Atomic-scale dynamics and mechanical response of geopolymer binder under nanoindentation

Sadat, M. R., Bringuier, S., Muralidharan, K., Frantziskonis, G. & Zhang, L., Feb 1 2018, In : Computational Materials Science. 142, p. 227-236 10 p.

Research output: Contribution to journalArticle

Geopolymers
Nanoindentation
nanoindentation
loading rate
Binders

Atomistic insights into the effect of polymerization on the thermophysical properties of 2-D C60 molecular solids

Alsayoud, A. Q., Manga, V. R., Muralidharan, K., Vita, J., Bringuier, S., Runge, K. & Deymier, P., Jul 1 2018, In : Carbon. 133, p. 267-274 8 p.

Research output: Contribution to journalArticle

Polymorphism
Thermal conductivity
Thermodynamic properties
Polymerization
Molecular crystals
Atomistic Simulation
Xerogels
Memory Effect
Shape Memory
shape memory alloys
1 Citations
Geopolymers
calcium silicates
Calcium silicate
Aluminosilicates
Mechanical Behavior
2017

An atomistic assessment of the impact of flaw orientation on the elastic and failure behavior of single-crystal Si nanometre-thick slabs

Huang, W. J., Bringuier, S., Paul, J., Simmons-Potter, K., Muralidharan, K. & Potter, B. G., Sep 22 2017, In : Philosophical Magazine. 97, 27, p. 2425-2436 12 p.

Research output: Contribution to journalArticle

slabs
single crystals
defects
embedded atom method
crack propagation
1 Citations

Effect of surface preparation of copper on spin-coating driven self- assembly of fullerene molecules

Ma, D., Sandoval, S., Muralidharan, K. & Raghavan, S., Feb 25 2017, In : Microelectronic Engineering. 170, p. 8-15 8 p.

Research output: Contribution to journalArticle

Fullerenes
Spin coating
Self assembly
fullerenes
coating
2 Citations

Electrocoagulation driven fabrication of graphene oxide films

Weisbart, C., Raghavan, S., Muralidharan, K. & Potter, B. G., May 1 2017, In : Carbon. 116, p. 318-324 7 p.

Research output: Contribution to journalArticle

Graphite
Oxide films
Fabrication
Copper
Anodes
3 Citations
Martensitic Transformation
Phase Transformation
Shape Memory
shape memory alloys
austenite
2 Citations

Structure of ZnCl2 Melt. Part II: Fragile-to-Strong Transition in a Tetrahedral Liquid

Lucas, P., Coleman, G. J., Venkateswara Rao, M., Edwards, A. N., Devaadithya, C., Wei, S., Alsayoud, A. Q., Potter, B. G., Muralidharan, K. & Deymier, P. A., Dec 14 2017, In : Journal of Physical Chemistry B. 121, 49, p. 11210-11218 9 p.

Research output: Contribution to journalArticle

Germanium compounds
Selenium compounds
germanium compounds
selenium compounds
Zinc compounds
2016
9 Citations

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

Geopolymers
moisture content
Binders
Molecular dynamics
alkalies
10 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., Asaduzzaman, A. & Zhang, L., Feb 15 2016, In : Journal of Non-Crystalline Solids. 434, p. 53-61 9 p.

Research output: Contribution to journalArticle

Geopolymers
Binders
mechanical properties
aluminum
tetrahedrons

Consistent embedding frameworks for predictive multi-theory multiscale simulations

Muralidharan, K., Runge, K. & Deymier, P. A. 2016 Springer Series in Materials Science. Springer Verlag, Vol. 226, p. 249-297 49 p. (Springer Series in Materials Science; vol. 226)

Research output: Chapter in Book/Report/Conference proceedingChapter

Chemical reactivity
Microstructural evolution

Interatomic potentials including chemistry

Valone, S. M., Muralidharan, K. & Runge, K., 2016, Springer Series in Materials Science. Springer Verlag, Vol. 226, p. 107-194 88 p. (Springer Series in Materials Science; vol. 226)

Research output: Chapter in Book/Report/Conference proceedingChapter

Hamiltonians
Parameterization
Electronic structure
Carrier concentration
Display devices
5 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. & Muralidharan, K., 2016, In : The Journal of Chemical Physics. 144, 9, 094501

Research output: Contribution to journalArticle

Solar power plants
molten salts
Transport properties
Molecular dynamics
Molten materials
1 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

Band structure
Phonons
Energy transfer
Molecular dynamics
Numerical methods
4 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

Boron carbide
Spark plasma sintering
boron
ceramics
Oxides
4 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. & Lucas, P., May 5 2016, In : Journal of Physical Chemistry B. 120, 17, p. 4174-4181 8 p.

Research output: Contribution to journalArticle

Raman spectroscopy
Molecular dynamics
Neutron diffraction
molecular dynamics
neutron diffraction

The role of aluminum substitution on the stability of substituted polyhedral oligomeric silsesquioxanes

Asaduzzaman, A., Runge, K., Deymier, P. A. & Muralidharan, K., May 28 2016, In : Zeitschrift fur Physikalische Chemie. 230, 5-7, p. 1005-1014 10 p.

Research output: Contribution to journalArticle

Aluminum
Substitution reactions
substitutes
aluminum
Atoms
2015
1 Citations

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

bicrystals
grain boundaries
silicon
shear
tetrahedrons
2 Citations

Energetics of substituted polyhedral oligomeric silsesquioxanes: A DFT study

Asaduzzaman, A., Runge, K., 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

Alkalies
Discrete Fourier transforms
Geopolymers
Molecules
Aluminosilicates

Experimental and computational investigation of microcrack behavior under combined environments in monocrystalline Si

Huang, W. J., Bringuier, S., Paul, J., Simmons-Potter, K., Muralidharan, K. & Potter, B. G., 2015, Proceedings of SPIE - The International Society for Optical Engineering. SPIE, Vol. 9563, 956308

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Microcracks
microcracks
Crack
cracks
Cracks
4 Citations

Grain boundary dynamics of SiC bicrystals under shear deformation

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

Research output: Contribution to journalArticle

Bicrystals
bicrystals
Stick-slip
Shear deformation
Grain boundaries
8 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

Fullerenes
Graphite
Nanorods
Self assembly
Graphene
6 Citations
phyllosilicate
olivine
condensation
thermodynamics
density functional theory
2 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

Fullerenes
Activated carbon
Electrodes
Energy storage
Carbon
6 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

Graphite
pretreatment
Graphene
Copper
Chemical vapor deposition
12 Citations

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

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

Research output: Contribution to journalArticle

Fermions
Elastic waves
Wave functions
Topology
Phonons
2014
3 Citations
Solar system
solar system
Minerals
delivery
minerals
2 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

Fullerenes
fullerenes
Graphite
fuses
Electric fuses
8 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., 2014, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 46, p. 176-183 8 p.

Research output: Contribution to journalArticle

Ternary systems
Molecular dynamics
Thermodynamics
Computer simulation
Cations
3 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. O., Bou-Matar, O., Muralidharan, K. & Deymier, P. A., 2014, In : Journal of the Mechanical Behavior of Biomedical Materials. 37, p. 24-32 9 p.

Research output: Contribution to journalArticle

Phonons
Mechanical waves
Phonon scattering
Superlattices
Collagen
9 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

fermions
crystals
inclusions
elastomers
matrices
2013
9 Citations

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

Accretion Disks
accretion disks
Earth (planet)
Water
water
14 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

forsterite
First-principles
Adsorption
Water
adsorption
7 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

permittivity
density functional theory
transmittance
gold
anisotropy
12 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., 2013, In : Chemical Physics Letters. 582, p. 115-118 4 p.

Research output: Contribution to journalArticle

Fullerenes
Graphite
fullerenes
Density functional theory
graphene
45 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 2013, In : Energy Conversion and Management. 65, p. 597-605 9 p.

Research output: Contribution to journalArticle

Pressure vessels
Energy storage
Costs
Compressed air energy storage
7 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

Fullerenes
Graphite
Graphene
fullerenes
graphene
1 Citations

New plasmonic materials in visible spectrum through electrical charging

Cao, J., Balachandran, R., Keswani, M., Muralidharan, K., Laref, S., Ziolkowski, R., Runge, K., Deymier, P., Raghavan, S. & Miyawaki, M., 2013, Proceedings of SPIE - The International Society for Optical Engineering. Vol. 8632, 86321I

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Plasmonics
visible spectrum
engineers
charging
permittivity
12 Citations
Phonon scattering
Superlattices
superlattices
life (durability)
Crystals
26 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

Anisotropy
Gold
permittivity
gold
density functional theory
2011
7 Citations
rectification
boron nitrides
thermal diffusivity
autocorrelation
energy

Consistent embedding: A multi-scale approach to brittle fracture

Runge, K., Muralidharan, K. & Deymier, P. 2011 Materials Science and Technology Conference and Exhibition 2011, MS and T'11. Vol. 1, p. 268-275 8 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Brittle fracture
Silicon Dioxide
Silica
Nanorods
Molecular dynamics
18 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

crystals
finite difference time domain method
group velocity
refraction
plane waves
16 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 2011, In : Journal of the Acoustical Society of America. 130, 4, p. 1919-1925 7 p.

Research output: Contribution to journalArticle

logic
acoustics
crystals
Boolean functions
interference
14 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 2011, In : Chinese Journal of Physics. 49, 1, p. 448-461 14 p.

Research output: Contribution to journalArticle

life (durability)
crystals
graphene
phonons
thermal conductivity
38 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

Lenses
lenses
Crystals
crystals
evanescent waves
2010
7 Citations

Compressed-air energy storage systems for stand-alone off-grid photovoltaic modules

Villela, D., Kasinathan, V. V., De Valle, S., Alvarez, M., Frantziskonis, G., Deymier, P. & Muralidharan, K. 2010 Conference Record of the IEEE Photovoltaic Specialists Conference. p. 962-967 6 p. 5614596

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Pistons
Energy storage
Compaction
Fluids
Costs
18 Citations

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

Hydrodynamics
Reaction kinetics
reaction kinetics
hydrodynamics
Chemical Models
20 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

Earth (planet)
Water
Fractals
Particles (particulate matter)
Dust