• 1124 Citations
  • 17 h-Index
20022019
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Research Output 2002 2019

  • 1124 Citations
  • 17 h-Index
  • 63 Article
  • 9 Conference contribution
  • 2 Chapter
2019
2 Citations (Scopus)
Multiscale Analysis
Grain Size
fracture strength
Polysilicon
Silicon carbide
2018
8 Citations (Scopus)

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
1 Citation (Scopus)

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 (Scopus)
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 Citation (Scopus)

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
3 Citations (Scopus)

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
4 Citations (Scopus)
Martensitic Transformation
Phase Transformation
Shape Memory
shape memory alloys
austenite
11 Citations (Scopus)

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
15 Citations (Scopus)

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
17 Citations (Scopus)

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

Consistent embedding frameworks for predictive multi-theory multiscale simulations

Muralidharan, K., Runge, K. A. & 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. A., 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
11 Citations (Scopus)

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
2 Citations (Scopus)

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
6 Citations (Scopus)

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
11 Citations (Scopus)

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
2 Citations (Scopus)

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 (Scopus)

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

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

Huang, W. J., Bringuier, S., Paul, J., 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
7 Citations (Scopus)

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
10 Citations (Scopus)

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
10 Citations (Scopus)
phyllosilicate
olivine
condensation
thermodynamics
density functional theory
5 Citations (Scopus)

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
9 Citations (Scopus)

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
18 Citations (Scopus)

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
4 Citations (Scopus)
Solar system
solar system
Minerals
delivery
minerals
3 Citations (Scopus)

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
12 Citations (Scopus)

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 (Scopus)

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
14 Citations (Scopus)

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
10 Citations (Scopus)

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
17 Citations (Scopus)

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
8 Citations (Scopus)

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
17 Citations (Scopus)

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
55 Citations (Scopus)

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
12 Citations (Scopus)

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
1 Citation (Scopus)

New plasmonic materials in visible spectrum through electrical charging

Cao, J., Balachandran, R., Keswani, M. K., Muralidharan, K., Laref, S., Ziolkowski, R. W., Runge, K. A., Deymier, P. A., 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
15 Citations (Scopus)
Phonon scattering
Superlattices
superlattices
life (durability)
Crystals
34 Citations (Scopus)

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 (Scopus)
rectification
boron nitrides
thermal diffusivity
autocorrelation
energy

Consistent embedding: A multi-scale approach to brittle fracture

Runge, K. A., Muralidharan, K. & Deymier, P. A., 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
21 Citations (Scopus)

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
21 Citations (Scopus)

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
16 Citations (Scopus)

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
41 Citations (Scopus)

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 (Scopus)

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

Villela, D., Kasinathan, V. V., De Valle, S., Alvarez, M., Frantziskonis, G. N., Deymier, P. A. & 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