Research Output 2002 2018

  • 744 Citations
  • 14 h-Index
  • 57 Article
  • 9 Conference contribution
  • 2 Chapter
2018

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: Research - peer-reviewArticle

Geopolymers
Nanoindentation
Binders
nanoindentation
loading rate
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: Research - peer-reviewArticle

slabs
single crystals
defects
embedded atom method
crack propagation

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: Research - peer-reviewArticle

fullerenes
coating
self assembly
rods
copper

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: Research - peer-reviewArticle

Graphite
Oxide films
Fabrication
Copper
Anodes
Martensitic Transformation
Phase Transformation
Shape Memory
Internal
shape memory alloys
2016
1 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: Research - peer-reviewArticle

Geopolymers
Binders
Molecular dynamics
Mechanics
Water
5 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: Research - peer-reviewArticle

mechanical properties
aluminum
Geopolymers
Binders
Mechanical properties

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: ResearchChapter

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: ResearchChapter

Hamiltonians
Parameterization
Electronic structure
Carrier concentration
Display devices
3 Citations
Solar power plants
Transport properties
Molecular dynamics
Molten materials
Thermal conductivity
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: Research - peer-reviewArticle

Band structure
interactions
Phonons
Energy transfer
Molecular dynamics
1 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: Research - peer-reviewArticle

boron
ceramics
oxide
plasma
sintering
2 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: Research - peer-reviewArticle

Raman spectroscopy
Molecular dynamics
Liquids
molecular dynamics
liquids

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: Research - peer-reviewArticle

substitutes
aluminum
atoms
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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

Alkalies
Discrete Fourier transforms
Molecules
Chemical analysis
Geopolymers

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: ResearchConference contribution

Microcracks
Crack
microcracks
cracks
Cracks
3 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: Research - peer-reviewArticle

Bicrystals
Shear deformation
Grain boundaries
bicrystals
grain boundaries
6 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: Research - peer-reviewArticle

Fullerenes
Nanorods
Self assembly
Graphene
Graphite
3 Citations
phyllosilicate
condensation
olivine
thermodynamics
water
1 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: Research - peer-reviewArticle

Fullerenes
Activated carbon
Electrodes
Supercapacitor
Energy storage
3 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: Research - peer-reviewArticle

pretreatment
graphene
vapor deposition
copper
Graphite
8 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: Research - peer-reviewArticle

Fermions
Elastic waves
Wave functions
Topology
Phonons
2014
2 Citations
solar system
adsorption
mineral
delivery
minerals
1 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: Research - peer-reviewArticle

fullerenes
Fullerenes
fuses
closures
elimination
7 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: Research - peer-reviewArticle

Ternary systems
Molecular dynamics
Thermodynamics
Computer simulation
Liquids
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: Research - peer-reviewArticle

Mechanical waves
Phonon scattering
Superlattices
Collagen
Tissue
6 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: Research - peer-reviewArticle

fermions
crystals
inclusions
matrices
elastomers
2013
6 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: Research - peer-reviewArticle

accretion disks
water
Earth (planet)
Water
Accretion Disks
10 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: Research - peer-reviewArticle

forsterite
adsorption
water
First-principles
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: Research - peer-reviewArticle

permittivity
density functional theory
transmittance
gold
anisotropy
5 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: Research - peer-reviewArticle

fullerenes
graphene
density functional theory
interactions
Fullerenes
37 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: Research - peer-reviewArticle

Pressure vessels
Compressed air energy storage
Costs
Energy storage
4 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: Research - peer-reviewArticle

fullerenes
graphene
fusion
curvature
defects
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: ResearchConference contribution

visible spectrum
engineers
charging
permittivity
gold
9 Citations
superlattices
life (durability)
scattering
crystals
Phonon scattering
22 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: Research - peer-reviewArticle

permittivity
gold
density functional theory
anisotropy
thin films
2011
6 Citations
rectification
boron nitrides
energy
thermal diffusivity
autocorrelation

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: ResearchConference 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: Research - peer-reviewArticle

crystals
finite difference time domain method
group velocity
refraction
plane waves
15 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: Research - peer-reviewArticle

Acoustics
Logic
Waves
Crystal
logic
13 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: Research - peer-reviewArticle

life (durability)
crystals
graphene
phonons
thermal conductivity
32 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: Research - peer-reviewArticle

lenses
crystals
Lenses
Crystals
evanescent waves
2010
6 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: ResearchConference contribution

Pistons
Energy storage
Compaction
Fluids
Costs
14 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: Research - peer-reviewArticle

reaction kinetics
hydrodynamics
cavities
Reaction kinetics
Hydrodynamics
16 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: Research - peer-reviewArticle

Earth (planet)
Water
Fractals
Particles (particulate matter)
Dust
2009
140 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: Research - peer-reviewArticle

lenses
crystals
evanescent waves
slabs
crystal lattices
53 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: Research - peer-reviewArticle

refraction
air
crystals
Refraction
Crystals
12 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: Research - peer-reviewArticle

Predator prey systems
Reaction kinetics
Chemical reactions
matrix methods
reaction kinetics
12 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: Research - peer-reviewArticle

Band Gap
Acoustics
Polymers
Composite
Fluid