Recent Publications

“High Temperature Calorimetric Study of Oxide Component Dissolution in a CaO-MgO-Al2O3-SiO2 Slag at 1450 °C” A. Koryttseva and A. Navrotsky, J. Am. Ceram. Soc., 100, 1172–1177 (2017).

“Calorimetric Determination of Thermodynamic Stability of MAX and MXene Phases” G. Sharma, M. Naguib, D. Feng, Y. Gogotsi, and A. Navrotsky, J. Phys. Chem. C, 120, 28131-28137 (2016).

“Thermochemistry of La1-xLnxPO4-Monazites (Ln = Gd, Eu)” S. Neumeier, P. Kegler, Y. Arinicheva, A. Shelyug, P. M. Kowalski, C. Schreinemachers, A. Navrotsky, and D. Bosbach, J. Chem. Therm., 105, 396-403 (2016).

“Thermal Annealing of Natural, Radiation-Damaged Pyrochlore” P. Zietlow, T. Beirau, B. Mihailova, L.A. Groat, T. Chudy, A. Shelyug, A. Navrotsky, R.C. Ewing, J. Schlüter, R. Škoda, U. Bismayer; Zeitschrift für Kristallographie, 232, 1-3 (2016)

“Composition Dependent Order-Disorder Transition in NdxZr1-xO2-0.5x Pyrochlores: A Combined Structural, Calorimetric and ab initio Modeling Study” S. Finkeldei, P. Kegler, P. Kowalski, C. Schreinemachers, F. Brandt, A. Bukaemskiv, V. Vinograd, G. Beridze, A. Shelyug, A. Navrotsky and D. Bosbach, Acta Mater., 125, 166-176 (2017).

“A Combined Experimental and Theoretical Study of Enthalpy of Phase Transition and Fusion of Yttria above 2000 °C using “Drop-n-Catch” Calorimetry and First-Principles Calculations” D. Kapush, S. V. Ushakov, A. Navrotsky, Q. Hong, H. Liu,  A. v.d. Walle., Acta Mater., 124, 204-209 (2017).

“Formation and Dehydration Enthalpy of Potassium Hexaniobate” S. K. Sahu, L. A. Boatner, A. Navrotsky, J. Am. Ceram. Soc., 100, 304-311 (2017).

“Drop-and-Catch (DnC) Calorimetry using Aerodynamic Levitation and Laser Heating” S. V. Ushakov, A. Shvarev, T. Alexeev, D. Kapush, A. Navrotsky, J. Am. Ceram. Soc., 100, 754-760 (2017).

“Structure and Thermochemistry of Perrhenate Sodalite and Mixed Guest Perrhenate/Pertechnetate Sodalite” E. Pierce, K. Lilova, D. Missimer, W. Lukens, J. Fitts, L. Wu, C. Rawn, A. Huq, D. Leonard, J. Eskelsen, B. F. Woodfield, C. Jantzen, and A. Navrotsky, Enviro. Sci. Tech., 51, 997-1006 (2016).

“Thermodynamics of Manganese Oxides: Sodium, Potassium, and Calcium Birnessite and Cryptomelane” N. Birkner and A. Navrotsky, Proc. Natl. Acad. Sci. USA, 114, E1046-E1053 (2017).

“Tailoring Mesoporous γ-Al2O3 Properties by Transition Metal Doping: A Combined Experimental and Computational Study” L. Fu, H. Yang, Y. Hu, D. Wu, and A. Navrotsky, Chem. Mater., 29, 1338-1349 (2017).

“Hot Matters – Experimental Methods for High-Temperature Property Measurement” A. Navrotsky and S. V. Ushakov, Am. Ceram. Soc. Bull., 96, 22-28 (2017).

“Structure and Bulk Modulus of Ln-doped UO2 (Ln = La, Nd) at High Pressure” D. Rittman, S. Park, C. L. Tracy , L. Zhang, R. I. Palomares, M. Lang, A. Navrotsky, W. Mao, R. Ewing, J. Nucl. Mater., 490 28-33, (2017)

“The Role of Ceramic and Glass Science Research in Meeting Societal Challenges: Report from an NSF-Sponsored Workshop” K. T. Faber, T. Asefa, M. Backhaus-Ricoult, R. Brow, J. Chan, S. Dillon, W. Fahrenholtz, M. W. Finnis, J. E. Garay, E. Garcia, Y. Gogotsi, S. M. Haile, J. Halloran, J. Hu, L. Huang, S. Jacobsen, E. Lara-Curizo, J. LeBeau, W. E. Lee, C. G. Levi, I. Levin, J. A. Lewis, D. M. Lipkin, K. Lu, J. Luo, J.-P. Maria, L. W. Martin, S. Martin, G. Messing, A. Navrotsky, N. Padture, C. Randall, G. S. Rohrer, A. Rozenflanz, T. Schaedler, D. Schlom, A. Sehirlioglu, A. Stevensen, T. Tani, V. Tikare, S. Trolier-McKinstry, H. Wang, and B. Yildiz, J. Am. Ceram. Soc.,  100, 1777-1803 (2017).

“Solid-Liquid Phase Equilibria of Fe-Cr-Al Alloys and Spinels,” J. McMurray, R. Hu, S. V. Ushakov, D. Shin, B. Pint, K. Terrani, and A. Navrotsky, J. Nucl. Mater., 492, 128-133 (2017).

“Experimental and Theoretical Evaluation of the Stability of True MOF Polymorphs Explains Their Mechanochemical Interconversions,” Z. Akimbekov, A. Katsenis, G. Nagabhushana, G. Ayoub, M. Arhangelskis, A. Morris, T. Friščic, A. Navrotsky; J. Am. Chem. Soc. 139, 7952-7957 (2017)

“Calorimetric Measurements of Surface Energy of Amorphous HfO2 nanoparticles Produced by Gas Phase Condensation,” G. Sharma, S. V. Ushakov, H. Li, R. H. R. Castro, and A. Navrotsky, J. Phys. Chem. C, 121, 10392-10397 (2017).

“Calorimetric Study of Alkali Metal Ion (K+, Na+, Li+) Exchange in a Clay-like MXene,” G. Sharma, E. Muthuswamy, M. Naguib, Y. Gogotsi, A. Navrotsky, and D. Wu, J. Phys. Chem. C, 121, 15145-15153 (2017).

“A Correlation between Formation Enthalpy and Ionic Conductivity in Perovskite-Structured
Li3xLa0.67-xTiO3 Solid Lithium Ion Conductors,” X. Guo, P. S. Maram and A. Navrotsky; J. Matl. Chem A, 5, 12951-12957 (2017).

“Reply to comment by Konings and Plyasunov on ‘First experimental determination of the solubility constant of coffinite,” S. Szenknect, N. Dacheux, R. Ewing, A. Navrotsky, Geochimica et Cosmochimica Acta, 212, 374-376 (2017).

“Thermodynamic Stability of SFCA (Silico-Ferrite of Calcium and Aluminum) and SFCA-I Phases,” A. Koryttseva, N. Webster, M. Pownceby, and A. Navrotsky, J. Am. Ceram. Soc., 100, 3646-3651 (2017).

“Structure and Energetics of SiOC and SiOC Modified Carbon-bonded Carbon Fiber Composites,” M. Niu, H. Wang, J. Chen, L. Su, D. Wu, and A. Navrotsky, J. Am. Ceram. Soc., 100, 3693-3702 (2017).

“Thermodynamics of Copper-Manganese and Copper-Iron Spinel Solid Solutions,” S. K. Sahu and A. Navrotsky, J. Am. Ceram. Soc., 100, 3684-3692 (2017).

“Thermochemistry of UO2-ThO2 and UO2-ZrO2 Fluorite Solid Solutions,” L. Zhang, A. Shelyug, and A. Navrotsky, J. Chem. Thermo., 114C, 48-54 (2017).

“Low Temperature Heat Capacity and Thermodynamic Functions of Anion Bearing Sodalites Na8Al6Si6O24X2 (X = SO4, ReO4, Cl, I),” J. Schliesser, K. Lilova, E. M. Pierce, L. Wu, D. M. Missimer, B. F. Woodfield, and A. Navrotsky, J. Chem. Thermo., 114C, 14-24 (2017).

“Thermochemical Properties of U(VI) Hybrid Materials containing Uranyl Tetrachloride Anions,” C. Cahill, N. P. Deifel, D. Reusser, L. Zhang, and A. Navrotsky, J. Chem. Thermo., 114, 66-70 (2017).

The Structure of Liquid and Amorphous Hafnia,” L.C. Gallington, Y. Ghadar, L.B.Skinner, J.K. Richard Weber, S.V. Ushakov, A. Navrotsky, A. Vazquez-Mayagoita, J.C. Neuefeind, M. Stan, J.J. Low, C.J. Benmore, Materials, 10, 1290 (2017).

“Structure and Thermal Expansion of Lu2O3 and Yb2O3 to the Melting Temperatures,” A. Pavlik, S. V. Ushakov, A. Navrotsky, C. Benmore and R. Weber, J. Nucl. Mater., 495, 385-391 (2017).

“Tunable Low-Density Palladium Nanowire Foams,” D. Gilbert, E. Burks, S.V. Ushakov, P. Abellan, I. Arslan, T. Felter, A. Navrotsky, K. Liu, Chem. of Matls., Chem. Mater., 29, 9814-9818 (2017).

“Heat Capacity and Thermodynamic Functions of Crystalline and Amorphous Forms of the Metal Organic Framework Zinc 2-Ethylimidazolate, Zn(EtIm)2,” J. Calvin; M. Asplund; Z. Akimbekov; G. Ayoub; A. Katsensis; A. Navrotsky; T. Friscic; B. Woodfield, J. Chem. Thermo., 116, 341-351 (2018).

“Size Driven Thermodynamic Crossovers in Phase Stability in Zirconia and Hafnia,” G. Sharma, S. Ushakov, and A. Navrotsky, J. Am Ceram Soc., 101, 31-35 (2018).

“Thermochemistry of the Simplest Metal Organic Frameworks: Formates [M(HCOO)2] · xH2O (M = Li, Mg, Mn, Co, Ni, and Zn),” G. P. Nagabhushana, R. Shivaramaiah, and A. Navrotsky, J. Chem. Therm., 118, 325-330 (2018).

“Combined Experimental and Computational Investigation of Thermodynamics and Phase Equilibria in the CaO-TiO2 System,” W. Gong, L. Wu, A. Navrotsky; J. Am Ceram Soc., 101, 1361-1370 (2018).

“Structure, Energetics and Bioactivity of Silicon Oxycarbide-based Amorphous Ceramics with Highly Connected Networks,” E. Ionescu, S. Sen, G. Mera, A. Navrotsky, J. Eur. Ceram. Soc., 38, 1311-1319 (2018).

“Thermodynamic Evidence of Flexibility in H2O and CO2 Absorption of Transition Metal Ion Exchanged Zeolite LTA,” X. Guo, L. Wu, A. Navrotsky, Phys. Chem. Chem. Phys., 20, 3970-3978 (2018).

“Experimental Heat Capacities, Excess Entropies, and Magnetic Properties of Bulk and Nano Fe3O4-Co3O4 and Fe3O4-Mn3O4,” J. Schliesser, B. Huang, S. Sahu, M. Asplund, A. Navrotsky and B. Woodfield, J. Solid-State Chem., 259, 79-90 (2018).

“Experimental Thermochemistry of Neptunium Oxides: Np2O5 and NpO2,” L. Zhang, E. Dzik, G. Sigmon, J. Szymanowski, A. Navrotsky, P. Burns, J. Nucl. Mater., 501, 398-404 (2018).

“Thermodynamics of Amorphous SiN(O)H Dielectric Films Synthesized by Plasma-enhanced Chemical Vapor Deposition,” J. Chen, M. Niu, J. Calvin, M. Asplund, S. King, B.T. Woodfield and A. Navrotsky, J. Am. Ceram. Soc., 101, 2017-2027 (2018).

“Thermodynamic and Structural Evolution of Dy2Ti2O7 Pyrochlore after Swift Heavy Ion Irradiation,” C-K. Chung, J. Shamblin, E. O’Quinn, A. Shelyug, I. Gussev, M. K. Lang, and A. Navrotsky, Acta Mater., 145, 227-234 (2018).

“Nanocrystalline Apatites: The Fundamental Role of Water,” C. Drouet, M. Aufray, S. Rollin-Martinet, N. Vandecandelaère, D. Grossin, F. Rossignol, E. Champion, A. Navrotsky, C. Rey, Amer. Miner., 103, 550-564 (2018)

“Trends in Structure and Thermodynamic Properties of Normal Rare Earth Carbonates and Rare Earth Hydroxycarbonates,” P. Kim, A. Anderko, A. Navrotsky, R. Riman, Minerals, 8, 106 (2018).

“Hydration Dynamics in Zeolite A — An X-ray Diffraction and Infrared Spectroscopic Study,” X. Guo, A. Navrotsky, Microporous Mesoporous Mater., 268, 197-201 (2018).

“Energetics of Bulk Lutetium Doped Ce1-xLuxO2-x/2 Compounds,” N. Yavo, G. Sharma, G. Kimmel, I. Lubomirsky, A. Navrotsky, O. Yeheskel, J. Am. Ceram. Soc., 101, 3520-3526 (2018).

“Thermodynamics of Radiation Induced Amorphization and Thermal Annealing of Dy2Sn2O7 Pyrochlore,” C.K. Chung, M.K. Lang, H. Xu, A. Navrotsky, Acta Mater, 155, 386-392 (2018).

“Probing Disorder in Pyrochlore Oxides Using in situ Synchrotron Diffraction from Levitated Solids – A Thermodynamic Perspective,” P.S. Maram, S.V. Ushakov, A. Navrotsky, Sci. Rep., 8, 10658 (2018).

“Heat Capacities, Entropies, and Gibbs Free Energies of Formation of Low-k Amorphous Si(O)CH Dielectric Films and Implications for Stability during Processing,” J. Chen, J. Calvin, M. Asplund, S.W. King, B.F. Woodfield, A. Navrotsky, J. Chem. Therm., 128, 320-335 (2018).

“Surface energy of Fayalite and its Effect on Fe-Si-O Oxygen Buffers and the Olivine‑Spinel Transition,” K. Lilova, M. DeAngelis, L.M. Anovitz, A. Navrotsky, Amer. Miner., 103, 1599-1603 (2018).

“Energetics of Defect Production in Fluorite Structured CeO2 Induced by Highly Ionizing Radiation,” A. Shelyug, R.I. Palomares, M. Lang, A. Navrotsky, Phys. Rev. B, 2, 093607 (2018).

“The Thermodynamics of H2O and CO2 Absorption and Guest-induced Phase Transitions in Zeolite RHO,” X. Guo, D.R. Corbin, A. Navrotsky, J. Phys. Chem A, 122, 20366-20376 (2018).

“Thermochemical Measurements of Alkali Cation Association to Hexatantalate,” D. Sures, G.P. Nagabhushana, A. Navrotsky, M. Nyman, Molecules, 23, 2441 (2018).

“Thermochemistry of Formation of Ion Exchanged Zeolite RHO,” X. Guo, L. Wu, D.R. Corbin, A. Navrotsky, Microporous Mesoporous Mater. 274, 373-378 (2019).

“Thermochemistry of BaSm2O4 and Thermodynamic Assessment of the BaO‑Sm2O3 System,” W. Gong, S.V. Ushakov, C. Agca, A. Navrotsky, J. Am. Ceram. Soc., 101, 5827-5835 (2018).

“Calorimetric Study of the Thermodynamic Properties of Mn5O8,” P. Zhang, J. Liu, K. Page, A. Navrotsky, J. Am. Ceram. Soc., Online (2018).

“Combined Computational and Experimental Investigation of High Temperature Thermodynamics and Structure of Cubic ZrO2 and HfO2,” Q.-J. Hong, S.V. Ushakov, D. Kapush, C.J. Benmore, R. Weber, A. van de Walle, A. Navrotsky, Sci. Rep., Online (2018).

“Phase Transformations in Oxides Above 2000 °C: Experimental Technique Development,” S.V. Ushakov, P.S. Maram, D. Kapush, A.J. Pavlik III, M. Fyhrie, L.C. Gallington, C.J. Benmore, R. Weber, J.C. Neuefeind, J.W. McMurray, A. Navrotsky, Adv. Appl. Ceram., In Press (2018).

“Compositional Control of Tunnel Features in Hollandite Based Ceramics: Structure and Stability of (Ba,Cs)1.33(Zn,Ti)8O16,” R. Grote, M. Zhao, L. Schuller-Nickles, J. Amoroso, W. Gong, K. Lilova, A. Navrotsky, M. Tang, K. Brinkman, J. Mater. Sci., In Press (2018).

“High Resolution Thermochemical Study of Phase Stability and Rapid Oxygen Incorporation in
YBaCo(4-x)ZnxO(7+δ) 114-Cobaltites,” D. Tsvetkov, P.S. Maram, N. Tsvetkova, A. Zuev, A. Navrotsky, J. Phys. Chem. A, Submitted (2018).

“Structural and Thermodynamic Mixing Properties of La(1-x)Nd(x)PO4 Monazite-type Solid Solutions,” H. Schlenza, J. Dellen, P. Kegler, C. Gatzen, C. Schreinemachers, A. Shelyug, M. Klinkenberg, A. Navrotsky, D. Bosbach, Acta Mater., Submitted (2018).

“Thermochemical Investigation of Lithium Borate Glasses and Crystals,” L. Wu, A. Koryttseva, C.B.M. Groß, A. Navrotsky, J. Am. Ceram. Soc., Submitted (2018).

“Homologous 2D Halide Perovskites: How Thick Can They Get?” C.M.M. Soe, G.P. Nagabhushana, R. Shivaramaia, H. Tsai, W. Nie, J.C. Blancon, F. Melkonyan, D.H. Cao, B. Traoré, L. Pedesseau, M. Kepenekian, C. Katan, J. Even, T.J. Marks, A. Navrotsky, A.D. Mohite, C.C. Stoumpos, M.G. Kanatzidis, Proc. Natl. Acad. Sci., Submitted (2018).

“New Developments in Calorimetry of High-Temperature Materials,” A. Navrotsky, Engineering, Submitted (2018).

“Compositional Control of Radionuclide Retention in Hollandite-based Ceramic Waste Forms for Cs Immobilization,” M. Zhao, Y. Xu, L. Shuller-Nicles, J. Amoroso, A. Frenkel, Y. Li, W. Gong, K. Lilova, A. Navrotsky, K. Brinkman, J. Am. Ceram., Soc. Submitted (2018)

“Rare Earth Sulfates in Aqueous Systems: Thermodynamic Modeling of Binary and Multicomponent Systems over Wide Concentration and Temperature Ranges,” G. Das, M. M. Lenckaa, A. Eslamimanesha, P. Wanga, A. Anderko, R. E. Riman, A. Navrotsky, J. Chem. Thermodyn., Submitted (2018).

“Lithium Aluminum Layered Double Hydroxide Chlorides (LDH): Formation Enthalpies and Energetics of Lithium Ion Capture,” L. Wu, L. Li, S.F. Evans, T.A. Eskander, B.A. Moyer, Z. Hu, S. Harrison, M. P. Paranthaman, R. Riman, A. Navrotsky, J. Am. Ceram. Soc., Submitted (2018).

“Energetics of Ethanol and Carbon Dioxide Adsorption on Anatase, Rutile and γ-Alumina Nanoparticles,” L. Wu, X. Guo, A. Navrotsky, Amer. Miner., Submitted (2018).

“A Geologic Si-O-C Pathway to Incorporate Carbon in Silicates,” A. Navrotsky, J. Percival, L. Dobrzhinetskaya, in “Carbon in Earth’s Interior,” C.E. Manning Ed., Amer. Geophys. Union Monograph, Submitted (2018).

“Energetics of Melting of Yb2O3 and Lu2O3 from Drop and Catch Calorimetry and First Principles Computations,” M. Fyhrie, Q.J. Hong, D. Kapush, S.V. Ushakov, H. Liu, A. van de Walle, A. Navrotsky, J. Chem. Thermodyn., Submitted (2018).

“Thermodynamics of Reaction between Gas-Turbine Ceramic Coatings and Ingested CMAS Corrodents,” G.C.C. Costa, B.J. Harder, V.L. Wiesner, D. Zhu, N. Bansal, K.N. Lee, N.S. Jacobson, D. Kapush, S.V. Ushakov, A. Navrotsky, Chem. Mater., Submitted (2018).

“In Situ Determination of the HfO2-Ta2O5 Temperature Phase Diagram up to 3000 °C,” S. McCormack, K.P. Tseng, R. Weber, D. Kapush, S.V. Ushakov, A. Navrotsky, T. Kriven, J. Am. Ceram. Soc., Submitted (2018).

“Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework,” M. Arhangelskis, A. Katensis, N. Novendra, Z. Akimbekov, D. Gandarth, J. Marrett, G. Ayoub, A. Morris, O. Farha, T. Friscic, A. Navrotsky, Chem. Sci., Submitted (2018).

“Thermodynamics and stability of rhabdophanes, hydrated rare earth phosphates REPO4 · n H2O,” A. Shelyug, A. Mesbah, S. Szenknect, N. Clavier, N. Dacheux, A. Navrotsky, Front. Chem., Submitted (2018)

“Proton Conductivity, Stability and Potential for Polymorphism in Metal-Organic Framework Minerals,” I. Huskić, N. Novendra, D.W. Lim, F. Topić, H.M. Titi, I.V. Pekov, S.V. Krivovichev, A. Navrotsky, H. Kitagawa, T. Friscić, Angew. Chem. Int. Ed., Submitted (2018).

“Towards a Nanoparticle-based Prophylactic for Maternal Autoantibody-based Autism,” A. Bolandparvaz, R. Harriman, K. Alvarez, K. Lilova, Z. Zang, E. Edmiston, A. Navrotsky, N. Vapniaski-Arzi, J. Van de Water, J.S. Lewis, Front. Immunol., Submitted (2018).

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