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6 Citations (Scopus)

Accelerating exploitation of Co-Al-based superalloys from theoretical study

Xu, W. W., Shang, S. L., Wang, C. P., Gang, T. Q., Huang, Y. F., Chen, L. J., Liu, X. J. & Liu, Z. K., Mar 15 2018, In : Materials and Design. 142, p. 139-148 10 p.

Research output: Contribution to journalArticle

Alloying elements
Superalloys
Phase stability
Charge density
Chemical elements
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
15 Citations (Scopus)
electron paramagnetic resonance
dipoles
single crystals
defects
oxygen
20 Citations (Scopus)

Accessing a growth window for SrVO3 thin films

Brahlek, M., Zhang, L., Eaton, C., Zhang, H. T. & Engel-Herbert, R., Oct 5 2015, In : Applied Physics Letters. 107, 14, 143108.

Research output: Contribution to journalArticle

thin films
cations
high energy electrons
vanadium
lattice parameters
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
21 Citations (Scopus)

Accurate calculations of phonon dispersion in CaF2 and CeO 2

Wang, Y., Zhang, L. A., Shang, S., Liu, Z. K. & Chen, L. Q., Jul 18 2013, In : Physical Review B - Condensed Matter and Materials Physics. 88, 2, 024304.

Research output: Contribution to journalArticle

dipoles
Lattice vibrations
functionals
dynamic characteristics
interactions
7 Citations (Scopus)

Accurate determination of thermodynamic properties for liquid alloys based on ab initio molecular dynamics simulation

Han, J., Wang, W. Y., Wang, C., Wang, Y., Liu, X. & Liu, Z., Dec 25 2013, In : Fluid Phase Equilibria. 360, p. 44-53 10 p.

Research output: Contribution to journalArticle

liquid alloys
Molecular dynamics
Thermodynamic properties
thermodynamic properties
molecular dynamics
5 Citations (Scopus)

A cellular automaton approach to the simulation of active self-assembly of kinesin-powered molecular shuttles

Crenshaw, J. D., Liang, T., Hess, H. & Phillpot, S. R., Oct 1 2011, In : Journal of Computational and Theoretical Nanoscience. 8, 10, p. 1999-2005 7 p.

Research output: Contribution to journalArticle

spools
Kinesin
Microtubules
Reels
Self-assembly

ACerS goes global

Messing, G. L., Sep 2002, Bulletin of the American Ceramic Society, 81, 9, p. 7 1 p.

Research output: Contribution to specialist publicationArticle

ACerS members and citizens

Messing, G. L., Nov 2002, Bulletin of the American Ceramic Society, 81, 11, p. 1 1 p.

Research output: Contribution to specialist publicationArticle

5 Citations (Scopus)

Acetic acid - Direct corrosive mediator in SCC of titanium/ethanol system

Jiang, Y., Wu, Y. & Wang, K., May 1 2006, In : Materials and Corrosion. 57, 5, p. 418-421 4 p.

Research output: Contribution to journalArticle

Caustics
Titanium
Acetic acid
Acetic Acid
acetic acid
3 Citations (Scopus)

Acetylene ion enhanced bonding of PbS nanoparticles to quaterthiophene in thin films

Pleticha, F. D., Lee, D., Sinnott, S. B., Bolotin, I. L., Majeski, M. W. & Hanley, L., Oct 18 2012, In : Journal of Physical Chemistry C. 116, 41, p. 21693-21698 6 p.

Research output: Contribution to journalArticle

Acetylene
acetylene
Ions
Nanoparticles
Thin films
5 Citations (Scopus)

A charge-based deep level transient spectroscopy measurement system and characterization of a ZnO-based varistor and a Fe-doped SrTiO3 dielectric

Okamoto, T., Long, J., Wilke, R. H. T., Stitt, J., Maier, R. & Randall, C. A., Feb 1 2016, In : Japanese Journal of Applied Physics. 55, 2, 026601.

Research output: Contribution to journalArticle

varistors
Varistors
Deep level transient spectroscopy
grain boundaries
traps
19 Citations (Scopus)

A charge optimized many-body (comb) potential for titanium and titania

Cheng, Y. T., Shan, T. R., Liang, T., Behera, R. K., Phillpot, S. R. & Sinnott, S. B., Aug 6 2014, In : Journal of Physics Condensed Matter. 26, 31, 315007.

Research output: Contribution to journalArticle

Titanium
titanium
rutile
Adsorption
Density functional theory
16 Citations (Scopus)

A charge-optimized many-body potential for the U-UO2-O 2 system

Li, Y., Liang, T., Sinnott, S. B. & Phillpot, S. R., Dec 18 2013, In : Journal of Physics Condensed Matter. 25, 50, 505401.

Research output: Contribution to journalArticle

Defects
Uranium
Fluorspar
Bond length
Elastic constants
12 Citations (Scopus)

A charge optimized many-body potential for titanium nitride (TiN)

Cheng, Y. T., Liang, T., Martinez, J. A., Phillpot, S. R. & Sinnott, S. B., Jul 2 2014, In : Journal of Physics Condensed Matter. 26, 26, 265004.

Research output: Contribution to journalArticle

Titanium nitride
titanium nitrides
Elastic constants
energy of formation
Interfacial energy
disulfides
Disulfides
Transition metals
Density functional theory
Sulfides
27 Citations (Scopus)

Achieving high electric energy storage in a polymer nanocomposite at low filling ratios using a highly polarizable phthalocyanine interphase

Wang, J., Guan, F., Cui, L., Pan, J., Wang, Q. & Zhu, L., Dec 15 2014, In : Journal of Polymer Science, Part B: Polymer Physics. 52, 24, p. 1669-1680 12 p.

Research output: Contribution to journalArticle

electric energy storage
Electric energy storage
Nanocomposites
nanocomposites
Polymers
60 Citations (Scopus)

Achieving High Energy Density in PVDF-Based Polymer Blends: Suppression of Early Polarization Saturation and Enhancement of Breakdown Strength

Zhang, X., Shen, Y., Shen, Z., Jiang, J., Chen, L. & Nan, C. W., Oct 12 2016, In : ACS Applied Materials and Interfaces. 8, 40, p. 27236-27242 7 p.

Research output: Contribution to journalArticle

Polymer blends
Polarization
Polymers
Energy storage
Permittivity
22 Citations (Scopus)

Achieving high permeability and enhanced selectivity for Angstrom-scale separations using artificial water channel membranes

Shen, Y. X., Song, W. C., Ryan Barden, D., Ren, T., Lang, C., Feroz, H., Henderson, C. B., Saboe, P. O., Tsai, D., Yan, H., Butler, P. J., Bazan, G. C., Phillip, W. A., Hickey, III, R. J., Cremer, P. S., Vashisth, H. & Kumar, M., Dec 1 2018, In : Nature communications. 9, 1, 2294.

Research output: Contribution to journalArticle

Aquaporins
Permeability
permeability
selectivity
membranes
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
13 Citations (Scopus)

A Cholecystokinin B Receptor-Specific DNA Aptamer for Targeting Pancreatic Ductal Adenocarcinoma

Clawson, G. A., Abraham, T., Pan, W., Tang, X., Linton, S. S., McGovern, C. O., Loc, W. S., Smith, J. P., Butler, P. J., Kester, M., Adair, J. H. & Matters, G. L., Feb 2017, In : Nucleic Acid Therapeutics. 27, 1, p. 23-35 13 p.

Research output: Contribution to journalArticle

Nucleotide Aptamers
Cholecystokinin B Receptor
Adenocarcinoma
Confocal microscopy
GTP-Binding Proteins
51 Citations (Scopus)

Acid-functionalized polysilsesquioxane-nafion composite membranes with high proton conductivity and enhanced selectivity

Xu, K., Chanthad, C., Gadinski, M. R., Hickner, M. A. & Wang, Q., Nov 25 2009, In : ACS Applied Materials and Interfaces. 1, 11, p. 2573-2579 7 p.

Research output: Contribution to journalArticle

Proton conductivity
Composite membranes
Acids
Fillers
Atmospheric humidity
3 Citations (Scopus)

Acid interleave coatings inhibit float-glass weathering, corrosion

Schaut, R. A. & Pantano, C. G., Oct 1 2005, American Ceramic Society Bulletin, 84, 10, p. 44-49 6 p.

Research output: Contribution to specialist publicationArticle

Weathering
Corrosion
Glass
Coatings
Acids

A Coherently Strained Monoclinic [111]PbTiO3 Film Exhibiting Zero Poisson's Ratio State

Tang, Y., Zhu, Y., Ma, X., Hong, Z., Wang, Y., Wang, W., Xu, Y., Liu, Y., Wu, B., Chen, L., Huang, C., Chen, L., Chen, Z., Wu, H. & Pennycook, S. J., Jan 1 2019, In : Advanced Functional Materials. 29, 35, 1901687.

Research output: Contribution to journalArticle

Poisson ratio
Perovskite
Oxide films
Physical properties
oxide films
68 Citations (Scopus)

A combined CALPHAD/first-principles remodeling of the thermodynamics of Al-Sr: Unsuspected ground state energies by "rounding up the (un)usual suspects"

Zhong, Y., Wolverton, C., Chang, Y. A. & Liu, Z., May 17 2004, In : Acta Materialia. 52, 9, p. 2739-2754 16 p.

Research output: Contribution to journalArticle

Ground state
Thermodynamics
Liquids
Phase stability
Density functional theory
47 Citations (Scopus)

A combined cluster variation method and ab initio approach to the γ-Fe[N]/γ-Fe4N1-x phase equilibrium

Shang, S. & Böttger, A. J., Jan 10 2005, In : Acta Materialia. 53, 2, p. 255-264 10 p.

Research output: Contribution to journalArticle

Phase boundaries
Phase equilibria
Lattice constants
Statistical mechanics
Nitrogen
112 Citations (Scopus)

A combined computational and experimental study of ion-beam modification of carbon nanotube bundles

Ni, B., Andrews, R., Jacques, D., Qian, D., Wijesundara, M. B. J., Choi, Y., Hanley, L. & Sinnott, S. B., Dec 27 2001, In : Journal of Physical Chemistry B. 105, 51, p. 12719-12725 7 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
Nanotubes
Ion beams
bundles
Carbon nanotubes
12 Citations (Scopus)

A combined first-principles calculation and thermodynamic modeling of the F-K-Na system

Zhang, S., Brubaker, C., Jiang, C., Yang, M., Zhong, Y., Han, Q. & Liu, Z., Feb 25 2006, In : Materials Science and Engineering A. 418, 1-2, p. 161-171 11 p.

Research output: Contribution to journalArticle

Ternary systems
Enthalpy
Thermodynamics
Tantalum
ternary systems
9 Citations (Scopus)

A combined theoretical-experimental study of interactions between vanadium ions and Nafion membrane in all-vanadium redox flow batteries

Intan, N. N., Klyukin, K., Zimudzi, T., Hickner, M. A. & Alexandrov, V., Jan 1 2018, In : Journal of Power Sources. 373, p. 150-160 11 p.

Research output: Contribution to journalArticle

Vanadium
vanadium
electric batteries
Ions
membranes
9 Citations (Scopus)

A comparative study of fringe contrast in α-phase and pbo-second phase particles in Pb0.88La0.08(Zr0.70Ti0.30)O3

Baba-Kishi, K. Z. & Randall, C. A., May 1 1989, In : Ferroelectrics. 93, 1, p. 329-334 6 p.

Research output: Contribution to journalArticle

Perovskite
Ferroelectric materials
Transmission electron microscopy
transmission electron microscopy
microstructure
7 Citations (Scopus)

A comparative study of the roles of KCN and NaCN as catalytic precursors in the Boudouard reaction

Alam, M. & Debroy, T., Jan 1 1987, In : Fuel. 66, 1, p. 103-112 10 p.

Research output: Contribution to journalArticle

Coke
Catalysis
Potassium
Chemical stability
Pore structure
14 Citations (Scopus)

A comparison of blood factor XII autoactivation in buffer, protein cocktail, serum, and plasma solutions

Golas, A., Josh Yeh, C. H., Pitakjakpipop, H., Siedlecki, C. & Vogler, E. A., Jan 1 2013, In : Biomaterials. 34, 3, p. 607-620 14 p.

Research output: Contribution to journalArticle

Factor XII
Blood Proteins
Buffers
Blood
Chemical activation
8 Citations (Scopus)

A Comparison of Fourier Spectral Iterative Perturbation Method and Finite Element Method in Solving Phase-Field Equilibrium Equations

Song, P., Yang, T., Ji, Y., Wang, Z., Yang, Z., Chen, L. & Chen, L., May 1 2017, In : Communications in Computational Physics. 21, 5, p. 1325-1349 25 p.

Research output: Contribution to journalArticle

equilibrium equations
finite element method
perturbation
mesh
boundary conditions
22 Citations (Scopus)

A comparison of ion scattering spectra and molecular dynamics simulations at the surface of silicate glasses

Kelso, J. F., Pantano, C. G. & Garofalini, S. H., Dec 1 1983, In : Surface Science. 134, 3

Research output: Contribution to journalArticle

Silicates
ion scattering
Potassium
Molecular dynamics
silicates
126 Citations (Scopus)

A comparison of phase organization of model segmented polyurethanes with different intersegment compatibilities

Hernandez, R., Weksler, J., Padsalgikar, A., Taeyi, C., Angelo, E., Lin, J. S., Xu, L., Siedlecki, C. & Runt, J. P., Dec 23 2008, In : Macromolecules. 41, 24, p. 9767-9776 10 p.

Research output: Contribution to journalArticle

Polyurethanes
polycarbonate
Copolymers
Polydimethylsiloxane
Phase structure
3 Citations (Scopus)

A comparison of rheology, dielectric response, and calorimetry within indane-based glass-formers

Erwin, B. M., Masser, K. A. & Colby, R. H., Nov 15 2006, In : Journal of Non-Crystalline Solids. 352, 42-49 SPEC. ISS., p. 4776-4784 9 p.

Research output: Contribution to journalArticle

Calorimetry
Rheology
rheology
Relaxation time
heat measurement
10 Citations (Scopus)

A Compartmentalized Device For The Culture Of Animal Cells

Vogler, E. A., Jan 1 1989, In : Biomaterials, Artificial Cells and Artificial Organs. 17, 5, p. 597-610 14 p.

Research output: Contribution to journalArticle

Cell growth
Cell culture
Nutrients
Animal cell culture
Animals
27 Citations (Scopus)

A comprehensive first-principles study of pure elements: Vacancy formation and migration energies and self-diffusion coefficients

Shang, S. L., Zhou, B. C., Wang, W. Y., Ross, A. J., Liu, X. L., Hu, Y. J., Fang, H. Z., Wang, Y. & Liu, Z. K., May 1 2016, In : Acta Materialia. 109, p. 128-141 14 p.

Research output: Contribution to journalArticle

Vacancies
Local density approximation
Charge density
Equations of state
Melting point
6 Citations (Scopus)
Creep
Local density approximation
Creep resistance
Stacking faults
Elastic constants
11 Citations (Scopus)

A Compression‐Loaded Double Cantilever Beam Specimen

Gonzalez, A. C. & Pantano, C. G., Jan 1 1990, In : Journal of the American Ceramic Society. 73, 8, p. 2534-2535 2 p.

Research output: Contribution to journalArticle

Cantilever beams
crack
Cracks
crack propagation
Crack propagation
56 Citations (Scopus)
laser welding
convective heat transfer
solidification
liquids
thermal conductivity
33 Citations (Scopus)

A computational procedure for finding multiple solutions of convective heat transfer equations

Mishra, S. & Debroy, T., Aug 21 2005, In : Journal of Physics D: Applied Physics. 38, 16, p. 2977-2985 9 p.

Research output: Contribution to journalArticle

convective heat transfer
Heat transfer
real numbers
electric arcs
heat transfer
198 Citations (Scopus)

A Computational Study of Molecular Diffusion and Dynamic Flow through Carbon Nanotubes

Mao, Z. & Sinnott, S. B., May 18 2000, In : Journal of Physical Chemistry B. 104, 19, p. 4618-4624 7 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
molecular diffusion
Nanotubes
Carbon nanotubes
nanotubes
2 Citations (Scopus)

A computational study of SrTiO3 thin film deposition: Morphology and growth modes

Wohlwend, J. L., Boswell, C. N., Phillpot, S. R. & Sinnott, S. B., Jun 2009, In : Journal of Materials Research. 24, 6, p. 1994-2000 7 p.

Research output: Contribution to journalArticle

Thin films
thin films
Monolayers
Atoms
simulation
11 Citations (Scopus)

A computational thermodynamic assessment of the Ca-Zn system

Brubaker, C. O. & Liu, Z. K., Sep 1 2001, In : Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 25, 3, p. 381-390 10 p.

Research output: Contribution to journalArticle

Phase equilibria
Intermetallics
Thermodynamic properties
Thermodynamics
Decomposition
33 Citations (Scopus)

A computational thermodynamic model of the Ca-Mg-Zn system

Brubaker, C. O. & Liu, Z., May 12 2004, In : Journal of Alloys and Compounds. 370, 1-2, p. 114-122 9 p.

Research output: Contribution to journalArticle

Intermetallics
Thermodynamics
Ternary systems
Phase equilibria
Thermodynamic properties
53 Citations (Scopus)

A computer simulation technique for spinodal decomposition and ordering in ternary systems

Chen, L., Sep 1 1993, In : Scripta Metallurgica et Materiala. 29, 5, p. 683-688 6 p.

Research output: Contribution to journalArticle

Spinodal decomposition
Ternary systems
Computer simulation
69 Citations (Scopus)
laser welding
Laser beam welding
Steel
convective heat transfer
Laser modes
21 Citations (Scopus)

Acoustic Detection of Phase Transitions at the Nanoscale

Vasudevan, R. K., Khassaf, H., Cao, Y., Zhang, S., Tselev, A., Carmichael, B., Okatan, M. B., Jesse, S., Chen, L. Q., Alpay, S. P., Kalinin, S. V. & Bassiri-Gharb, N., Jan 26 2016, In : Advanced Functional Materials. 26, 4, p. 478-486 9 p.

Research output: Contribution to journalArticle

sound detecting and ranging
Phase transitions
Acoustics
Natural frequencies
Microscopic examination