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Research Output 1999 2020

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10 Citations (Scopus)

Ab initio modeling of volume-temperature curves for glassforming systems

Mauro, J., Loucks, R. J., Balakrishnan, J. & Varshneya, A. K., May 15 2007, In : Journal of Non-Crystalline Solids. 353, 13-15 SPEC. ISS., p. 1274-1278 5 p.

Research output: Contribution to journalArticle

curves
Enthalpy
enthalpy
Temperature
temperature
70 Citations (Scopus)

Accelerating the Design of Functional Glasses through Modeling

Mauro, J. C., Tandia, A., Vargheese, K. D., Mauro, Y. Z. & Smedskjaer, M. M., Jun 28 2016, In : Chemistry of Materials. 28, 12, p. 4267-4277 11 p.

Research output: Contribution to journalArticle

Glass
Chemical analysis
Compressive stress
Refractory materials
Physics
7 Citations (Scopus)

Accessing Forbidden Glass Regimes through High-Pressure Sub-Tg Annealing

Svenson, M. N., Mauro, J. C., Rzoska, S. J., Bockowski, M. & Smedskjaer, M. M., Apr 18 2017, In : Scientific reports. 7, 46631.

Research output: Contribution to journalArticle

Hardness
Glass
Pressure
Hot Temperature
Transition Temperature
5 Citations (Scopus)

Achieving long time scale simulations of glass-forming systems

Mauro, J. C. & Du, J., May 1 2012, In : Computational and Theoretical Chemistry. 987, p. 122-133 12 p.

Research output: Contribution to journalArticle

Glass
glass
Kinetics
simulation
Monte Carlo Method
8 Citations (Scopus)

Adhesion of organic molecules on silica surfaces: A density functional theory study

McKenzie, M. E., Goyal, S., Lee, S. H., Park, H. H., Savoy, E., Rammohan, A. R., Mauro, J., Kim, H., Min, K. & Cho, E., Jan 1 2017, In : Journal of Physical Chemistry C. 121, 1, p. 392-401 10 p.

Research output: Contribution to journalArticle

Silicon Dioxide
Density functional theory
adhesion
Adhesion
Silica
7 Citations (Scopus)

Advanced modulation formats for fiber optic communication systems

Mauro, J. & Raghavan, S., Dec 1 2008, In : Scientific Modeling and Simulation SMNS. 15, 1-3, p. 283-312 30 p.

Research output: Contribution to journalArticle

Fiber Optics Communications
Phase shift
Fiber optics
Communication Systems
Communication systems
42 Citations (Scopus)

Advancing glasses through fundamental research

Wondraczek, L. & Mauro, J., Apr 1 2009, In : Journal of the European Ceramic Society. 29, 7, p. 1227-1234 8 p.

Research output: Contribution to journalArticle

Glass
Physics
Thermodynamics
Statistical mechanics
Pressure effects
30 Citations (Scopus)

A metal-organic framework with ultrahigh glass-forming ability

Qiao, A., Bennett, T. D., Tao, H., Krajnc, A., Mali, G., Doherty, C. M., Thornton, A. W., Mauro, J. C., Greaves, G. N. & Yue, Y., Mar 9 2018, In : Science Advances. 4, 3, eaao6827.

Research output: Contribution to journalArticle

Glass
Metals
Crystallization
Entropy
Thermodynamics
35 Citations (Scopus)

A model for phosphate glass topology considering the modifying ion sub-network

Hermansen, C., Mauro, J. C. & Yue, Y., Apr 21 2014, In : Journal of Chemical Physics. 140, 15, 154501.

Research output: Contribution to journalArticle

Alkalies
alkalies
phosphates
topology
Phosphates
14 Citations (Scopus)

A new model of the glass transition

Mauro, J. C. & Varshneya, A. K., Dec 1 2006, American Ceramic Society Bulletin, 85, 8, p. 25-28 4 p.

Research output: Contribution to specialist publicationArticle

Statistical mechanics
Quantum theory
Electron energy levels
Conformations
Glass transition
29 Citations (Scopus)

A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses

Wang, M., Anoop Krishnan, N. M., Wang, B., Smedskjaer, M. M., Mauro, J. C. & Bauchy, M., Oct 15 2018, In : Journal of Non-Crystalline Solids. 498, p. 294-304 11 p.

Research output: Contribution to journalArticle

Borosilicate glass
borosilicate glass
Molecular dynamics
molecular dynamics
Computer simulation
10 Citations (Scopus)

Anomalous crystallization as a signature of the fragile-to-strong transition in metallic glass-forming liquids

Yang, X., Zhou, C., Sun, Q., Hu, L., Mauro, J. C., Wang, C. & Yue, Y., Aug 28 2014, In : Journal of Physical Chemistry B. 118, 34, p. 10258-10265 8 p.

Research output: Contribution to journalArticle

Metallic glass
metallic glasses
Crystallization
signatures
crystallization
41 Citations (Scopus)

A nonequilibrium statistical mechanical model of structural relaxation in glass

Mauro, J. & Varshneya, A. K., Mar 1 2006, In : Journal of the American Ceramic Society. 89, 3, p. 1091-1094 4 p.

Research output: Contribution to journalArticle

Structural relaxation
Glass
Statistical mechanics
Potential energy
Topography
25 Citations (Scopus)

An upper limit to kinetic fragility in glass-forming liquids

Wang, L. M. & Mauro, J. C., Jan 28 2011, In : Journal of Chemical Physics. 134, 4, 044522.

Research output: Contribution to journalArticle

Hysteresis
Enthalpy
enthalpy
hysteresis
Thermal cycling
12 Citations (Scopus)

Are the dynamics of a glass embedded in its elastic properties

Potuzak, M., Guo, X., Smedskjaer, M. M. & Mauro, J., Mar 28 2013, In : Journal of Chemical Physics. 138, 12, 12A501.

Research output: Contribution to journalArticle

elastic properties
Glass
glass
Elastic moduli
shear
32 Citations (Scopus)

A simplified eigenvector-following technique for locating transition points in an energy landscape

Mauro, J., Loucks, R. J. & Balakrishnan, J., Oct 27 2005, In : Journal of Physical Chemistry A. 109, 42, p. 9578-9583 6 p.

Research output: Contribution to journalArticle

Lagrange multipliers
transition points
Eigenvalues and eigenfunctions
eigenvectors
molecular clusters
1 Citation (Scopus)

Atomic picture of structural relaxation in silicate glasses

Song, W., Li, X., Wang, B., Anoop Krishnan, N. M., Goyal, S., Smedskjaer, M. M., Mauro, J., Hoover, C. G. & Bauchy, M., Jun 10 2019, In : Applied Physics Letters. 114, 23, 233703.

Research output: Contribution to journalArticle

Open Access
silicates
glass
rings
sodium silicates
residual stress
53 Citations (Scopus)

Atomistic understanding of the network dilation anomaly in ion-exchanged glass

Tandia, A., Vargheese, K. D., Mauro, J. & Varshneya, A. K., Jan 15 2012, In : Journal of Non-Crystalline Solids. 358, 2, p. 316-320 5 p.

Research output: Contribution to journalArticle

Ions
anomalies
Glass
glass
ions
7 Citations (Scopus)

Automated Apparatus for Measuring the Frangibilityand Fragmentation of Strengthened Glass

Tang, Z., Abrams, M. B., Mauro, J. C., Venkataraman, N., Meyer, T. E., Jacobs, J. M., Wu, X. & Ellison, A. J., Jun 2014, In : Experimental Mechanics. 54, 5, p. 903-912 10 p.

Research output: Contribution to journalArticle

Glass
Bearings (structural)
Hinges
Braking
Compressive stress
2 Citations (Scopus)

Bioactive Glass Innovations Through Academia-Industry Collaboration

Fu, Q., Mauro, J. C. & Rahaman, M. N., Jan 1 2016, In : International Journal of Applied Glass Science. 7, 2, p. 139-146 8 p.

Research output: Contribution to journalArticle

Bioactive glass
Innovation
Glass
Industry
Melting

Boron anomaly in the thermal conductivity of lithium borate glasses

Sørensen, S. S., Johra, H., Mauro, J. C., Bauchy, M. & Smedskjaer, M. M., Jul 1 2019, In : Physical Review Materials. 3, 7, 075601.

Research output: Contribution to journalArticle

lithium borates
Boron
Thermal conductivity
boron
Lithium
12 Citations (Scopus)

Breakdown of the fractional Stokes-Einstein relation in silicate liquids

Mauro, J. C. & Ellison, A. J., Dec 1 2011, In : Journal of Non-Crystalline Solids. 357, 24, p. 3924-3927 4 p.

Research output: Contribution to journalArticle

Silicates
silicates
breakdown
Viscosity
viscosity
9 Citations (Scopus)

Cation Diffusivity and the Mixed Network Former Effect in Borosilicate Glasses

Smedskjaer, M. M., Mauro, J. & Yue, Y., Jun 11 2015, In : Journal of Physical Chemistry B. 119, 23, p. 7106-7115 10 p.

Research output: Contribution to journalArticle

Borosilicate glass
borosilicate glass
diffusivity
Cations
Positive ions
7 Citations (Scopus)

Characterizing the Fundamental Adhesion of Polyimide Monomers on Crystalline and Glassy Silica Surfaces: A Molecular Dynamics Study

Goyal, S., Park, H. H., Lee, S. H., Savoy, E., McKenzie, M. E., Rammohan, A. R., Mauro, J. C., Kim, H., Min, K. & Cho, E., Oct 20 2016, In : Journal of Physical Chemistry C. 120, 41, p. 23631-23639 9 p.

Research output: Contribution to journalArticle

polyimides
Polyimides
Silicon Dioxide
Molecular dynamics
adhesion

Charge carrier mobility of alkali silicate glasses calculated by molecular dynamics

Welch, R. S., Wilkinson, C. J., Mauro, J. C. & Bragatto, C. B., May 29 2019, In : Frontiers in Materials. 6, 121.

Research output: Contribution to journalArticle

Open Access
Silicates
Carrier mobility
Alkalies
Ionic conductivity
Charge carriers
2 Citations (Scopus)

Chemical Strengthening of Alkali-Free Glass via Pressure Vessel Ion Exchange

Mauro, J. C., Truesdale, C. M., Adib, K., Whittier, A. M. & Martin, A. W., Dec 1 2016, In : International Journal of Applied Glass Science. 7, 4, p. 446-451 6 p.

Research output: Contribution to journalArticle

Alkalies
Pressure vessels
Ion exchange
Glass
Ions
7 Citations (Scopus)

Combining high hardness and crack resistance in mixed network glasses through high-temperature densification

Kapoor, S., Januchta, K., Youngman, R. E., Guo, X., Mauro, J. C., Bauchy, M., Rzoska, S. J., Bockowski, M., Jensen, L. R. & Smedskjaer, M. M., Jun 21 2018, In : Physical Review Materials. 2, 6, 063603.

Research output: Contribution to journalArticle

densification
Densification
hardness
cracks
Hardness
Silicates
Alkalies
Constraint theory
alkalies
silicates
28 Citations (Scopus)

Communication: Resolving the vibrational and configurational contributions to thermal expansion in isobaric glass-forming systems

Potuzak, M., Mauro, J. C., Kiczenski, T. J., Ellison, A. J. & Allan, D. C., Sep 7 2010, In : Journal of Chemical Physics. 133, 9, 091102.

Research output: Contribution to journalArticle

Thermal expansion
thermal expansion
communication
Glass
glass
7 Citations (Scopus)

Competing indentation deformation mechanisms in glass using different strengthening methods

Luo, J., Lezzi, P. J., Vargheese, K. D., Tandia, A., Harris, J. T., Gross, T. M. & Mauro, J. C., Nov 28 2016, In : Frontiers in Materials. 3, 52.

Research output: Contribution to journalArticle

Open Access
Strengthening (metal)
Indentation
Tempering
Compressive stress
Glass
12 Citations (Scopus)

Compositional control of the photoelastic response of silicate glasses

Smedskjaer, M. M., Potuzak, M., Guo, X. & Mauro, J., Oct 1 2013, In : Optical Materials. 35, 12, p. 2435-2439 5 p.

Research output: Contribution to journalArticle

Silicates
silicates
Glass
glass
Chemical analysis
8 Citations (Scopus)

Compositional Dependence of Solubility/Retention of Molybdenum Oxides in Aluminoborosilicate-Based Model Nuclear Waste Glasses

Brehault, A., Patil, D., Kamat, H., Youngman, R. E., Thirion, L. M., Mauro, J. C., Corkhill, C. L., McCloy, J. S. & Goel, A., Feb 8 2018, In : Journal of Physical Chemistry B. 122, 5, p. 1714-1729 16 p.

Research output: Contribution to journalArticle

Radioactive Waste
Molybdenum oxide
molybdenum oxides
radioactive wastes
Radioactive wastes
222 Citations (Scopus)
glass transition temperature
Gibbs equations
Chemical analysis
Germanium
Temperature
148 Citations (Scopus)

Composition dependence of glass transition temperature and fragility. II. A topological model of alkali borate liquids

Mauro, J., Gupta, P. K. & Loucks, R. J., Jun 26 2009, In : Journal of Chemical Physics. 130, 23, 234503.

Research output: Contribution to journalArticle

Borates
Alkalies
borates
glass transition temperature
alkalies
62 Citations (Scopus)

Composition-structure-property relationships in boroaluminosilicate glasses

Zheng, Q., Potuzak, M., Mauro, J., Smedskjaer, M. M., Youngman, R. E. & Yue, Y., Apr 1 2012, In : Journal of Non-Crystalline Solids. 358, 6-7, p. 993-1002 10 p.

Research output: Contribution to journalArticle

Glass
glass
Chemical analysis
glass transition temperature
modulus of elasticity
25 Citations (Scopus)

Composition-Structure-Property Relations of Compressed Borosilicate Glasses

Svenson, M. N., Bechgaard, T. K., Fuglsang, S. D., Pedersen, R. H., Tjell, A. O., Østergaard, M. B., Youngman, R. E., Mauro, J. C., Rzoska, S. J., Bockowski, M. & Smedskjaer, M. M., Aug 14 2014, In : Physical Review Applied. 2, 2, 024006.

Research output: Contribution to journalArticle

borosilicate glass
hardness
brittleness
boron
compressibility
8 Citations (Scopus)

Compressive stress profiles of chemically strengthened glass after exposure to high voltage electric fields

Thirion, L. M., Streltsova, E., Lee, W. Y., Bao, Z., He, M. & Mauro, J., Jul 1 2014, In : Journal of Non-Crystalline Solids. 394-395, p. 6-8 3 p.

Research output: Contribution to journalArticle

Compressive stress
high voltages
Electric fields
Glass
electric fields
7 Citations (Scopus)

Computational approaches for investigating interfacial adhesion phenomena of polyimide on silica glass

Min, K., Rammohan, A. R., Lee, H. S., Shin, J., Lee, S. H., Goyal, S., Park, H., Mauro, J. C., Stewart, R., Botu, V., Kim, H. & Cho, E., Dec 1 2017, In : Scientific reports. 7, 1, 10475.

Research output: Contribution to journalArticle

Molecular Dynamics Simulation
Silicon Dioxide
Glass
98 Citations (Scopus)

Computing the viscosity of supercooled liquids

Kushima, A., Lin, X., Li, J., Eapen, J., Mauro, J. C., Qian, X., Diep, P. & Yip, S., Jun 25 2009, In : Journal of Chemical Physics. 130, 22, 224504.

Research output: Contribution to journalArticle

Viscosity of liquids
Viscosity
viscosity
Trajectories
trajectories
26 Citations (Scopus)

Computing the viscosity of supercooled liquids: Markov network model

Li, J., Kushima, A., Eapen, J., Lin, X., Qian, X., Mauro, J. C., Diep, P. & Yip, S., Mar 30 2011, In : PloS one. 6, 3, e17909.

Research output: Contribution to journalArticle

Viscosity of liquids
Viscosity
viscosity
Temperature
liquids
34 Citations (Scopus)

Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior

Kushima, A., Lin, X., Li, J., Qian, X., Eapen, J., Mauro, J. C., Diep, P. & Yip, S., Dec 21 2009, In : Journal of Chemical Physics. 131, 16, 164505.

Research output: Contribution to journalArticle

Viscosity of liquids
Silicon Dioxide
crossovers
viscosity
silicon dioxide
3 Citations (Scopus)

Confocal depth-resolved micro-X-ray absorption spectroscopy study of chemically strengthened boroaluminosilicate glasses

Tack, P., Bauters, S., Mauro, J. C., Smedskjaer, M. M., Vekemans, B., Banerjee, D., Bras, W. & Vincze, L., Jan 1 2016, In : RSC Advances. 6, 29, p. 24060-24065 6 p.

Research output: Contribution to journalArticle

X ray absorption spectroscopy
Glass
Ion exchange
Ions
Extended X ray absorption fine structure spectroscopy
93 Citations (Scopus)

Continuously broken ergodicity

Mauro, J., Gupta, P. K. & Loucks, R. J., May 18 2007, In : Journal of Chemical Physics. 126, 18, 184511.

Research output: Contribution to journalArticle

Structural relaxation
Relaxation processes
Relaxation time
Glass transition
Entropy
30 Citations (Scopus)

Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments

Li, X., Song, W., Yang, K., Krishnan, N. M. A., Wang, B., Smedskjaer, M. M., Mauro, J. C., Sant, G., Balonis, M. & Bauchy, M., Aug 21 2017, In : Journal of Chemical Physics. 147, 7, 074501.

Research output: Contribution to journalArticle

sodium silicates
Molecular dynamics
molecular dynamics
Cooling
cooling
1 Citation (Scopus)

Crack initiation in an indented metallic glass with embedded nanoparticle

Lee, K. H., Yang, Y. & Mauro, J., Jan 14 2019, In : Journal of Applied Physics. 125, 2, 025106.

Research output: Contribution to journalArticle

crack initiation
metallic glasses
shear
nanoparticles
modulus of elasticity
15 Citations (Scopus)

Crack initiation in metallic glasses under nanoindentation

Yang, Y., Luo, J., Huang, L., Hu, G., Vargheese, K. D., Shi, Y. & Mauro, J. C., Aug 15 2016, In : Acta Materialia. 115, p. 413-422 10 p.

Research output: Contribution to journalArticle

Metallic glass
Nanoindentation
Crack initiation
Cavitation
Shear bands
18 Citations (Scopus)

Crack nucleation criterion and its application to impact indentation in glasses

Luo, J., Vargheese, K. D., Tandia, A., Hu, G. & Mauro, J. C., Apr 15 2016, In : Scientific reports. 6, 23720.

Research output: Contribution to journalArticle

indentation
cracks
nucleation
glass
axial stress
11 Citations (Scopus)

Crucial effect of angular flexibility on the fracture toughness and nano-ductility of aluminosilicate glasses

Wang, M., Wang, B., Bechgaard, T. K., Mauro, J., Rzoska, S. J., Bockowski, M., Smedskjaer, M. M. & Bauchy, M., Dec 15 2016, In : Journal of Non-Crystalline Solids. 454, p. 46-51 6 p.

Research output: Contribution to journalArticle

Aluminosilicates
fracture strength
ductility
Ductility
Fracture toughness
1 Citation (Scopus)

Data-driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities

De Guire, E., Bartolo, L., Brindle, R., Devanathan, R., Dickey, E. C., Fessler, J., French, R. H., Fotheringham, U., Harmer, M., Lara-Curzio, E., Lichtner, S., Maillet, E., Mauro, J., Mecklenborg, M., Meredig, B., Rajan, K., Rickman, J., Sinnott, S., Spahr, C., Suh, C. & 3 others, Tandia, A., Ward, L. & Weber, R., Nov 1 2019, In : Journal of the American Ceramic Society. 102, 11, p. 6385-6406 22 p.

Research output: Contribution to journalArticle

Glass ceramics
Glass
Functional materials
Health care
Learning algorithms
28 Citations (Scopus)

Defect-mediated self-diffusion in calcium aluminosilicate glasses: A molecular modeling study

Tandia, A., Timofeev, N. T., Mauro, J. & Vargheese, K. D., Apr 1 2011, In : Journal of Non-Crystalline Solids. 357, 7, p. 1780-1786 7 p.

Research output: Contribution to journalArticle

Molecular modeling
Aluminosilicates
calcium
Calcium
Glass