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

  • 927 Citations
  • 15 h-Index
  • 62 Article
  • 9 Conference contribution
  • 2 Chapter
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Article
2018
1 Citations

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

Sadat, M. R., Bringuier, S., Muralidharan, K., Frantziskonis, G. N. & 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. A. & Deymier, P. A., 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
Memory Effect
Shape Memory
shape memory alloys
Porosity
2 Citations
Silicic Acid
Geopolymers
calcium silicates
Calcium silicate
Aluminosilicates

Thermochemical model on the carbothermal reduction of oxides during spark plasma sintering of zirconium diboride

Pham, D., Dycus, J. H., LeBeau, J. M., Manga, V. R., Muralidharan, K. & Corral, E. L., Jan 1 2018, (Accepted/In press) In : Journal of the American Ceramic Society.

Research output: Contribution to journalArticle

Carbothermal reduction
Spark plasma sintering
Zirconium
Powders
Oxides
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., 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
Graphene
Oxide films
Fabrication
Copper
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

tetrahedrons
Liquids
liquids
viscosity
temperature dependence
2016
10 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
11 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

Geopolymers
Binders
mechanical properties
aluminum
tetrahedrons
6 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

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
5 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
Oxides
Phase diagrams
Processing
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. A. & 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. A., 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. A., Deymier, P. A. & 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. 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

Alkalies
Discrete Fourier transforms
Geopolymers
Molecules
Aluminosilicates
4 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

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. A., Potter, B. G., Zega, T., 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
8 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. A., 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
Graphite
fuses
Electric fuses
Charge density
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. A. & 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. A., 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. A., 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. A., 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. A., 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. N., 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

Graphite
Fullerenes
Graphene
fullerenes
graphene
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. A., Deymier, P. A., 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
18 Citations

Phase-controlling phononic crystal

Swinteck, N., Robillard, J. F., Bringuier, S., Bucay, J., Muralidharan, K., Vasseur, J. O., Runge, K. A. & 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. A., 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
19 Citations

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

Mishra, S. K., Deymier, P. A., Muralidharan, K., Frantziskonis, G. N., 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. A., 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
2009
174 Citations

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

lenses
evanescent waves
crystals
slabs
crystal lattices
65 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

Refraction
refraction
Crystals
Finite difference time domain method
air
15 Citations

Time-parallel multiscale/multiphysics framework

Frantziskonis, G. N., Muralidharan, K., Deymier, P. A., 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

Predator prey systems
Reaction kinetics
Chemical reactions
matrix methods
reaction kinetics
16 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., 2009, In : Modelling and Simulation in Materials Science and Engineering. 17, 7, 075013.

Research output: Contribution to journalArticle

Band Gap
Polymers
Acoustics
Rubber
Energy gap
2008
15 Citations

Dynamic compound wavelet matrix method for multiphysics and multiscale problems

Muralidharan, K., Mishra, S. K., Frantziskonis, G. N., 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

Multiscale Problems
Multiphysics
Matrix Method
matrix methods
Wavelets