TY  - JOUR
AU  - Filipović, Suzana
AU  - Obradović, Nina
AU  - Hilmas, Greg E.
AU  - Fahrenholtz, William G.
AU  - Brenner, Donald W.
AU  - Maria, Jon‐Paul
AU  - Wolfe, Douglas E.
AU  - Zurek, Eva
AU  - Campilongo, Xiomara
AU  - Curtarolo, Stefano
PY  - 2024
UR  - https://dais.sanu.ac.rs/123456789/16517
AB  - Super-hard (Hf,Mo,Ti,V,W)B2 was synthesized by boro-carbothermal reduction and densified by spark plasma sintering. This composition was produced for the first time as a single-phase ceramic in the present research. The optimized ceramic had a single hexagonal AlB2-type crystalline phase with a grain size of 3.8 µm and homogeneous distribution of the constituent metals. The Vickers hardness exhibited the indentation size effect, increasing from 27 GPa at a load of 9.8 N to as high as 66 GPa at a load of 0.49 N. This is the highest hardness reported to date for high entropy boride ceramics.
PB  - Wiley
T2  - Journal of the American Ceramic Society
T1  - A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W
DO  - 10.1111/jace.19795
UR  - https://hdl.handle.net/21.15107/rcub_dais_16517
ER  - 

@article{
author = "Filipović, Suzana and Obradović, Nina and Hilmas, Greg E. and Fahrenholtz, William G. and Brenner, Donald W. and Maria, Jon‐Paul and Wolfe, Douglas E. and Zurek, Eva and Campilongo, Xiomara and Curtarolo, Stefano",
year = "2024",
abstract = "Super-hard (Hf,Mo,Ti,V,W)B2 was synthesized by boro-carbothermal reduction and densified by spark plasma sintering. This composition was produced for the first time as a single-phase ceramic in the present research. The optimized ceramic had a single hexagonal AlB2-type crystalline phase with a grain size of 3.8 µm and homogeneous distribution of the constituent metals. The Vickers hardness exhibited the indentation size effect, increasing from 27 GPa at a load of 9.8 N to as high as 66 GPa at a load of 0.49 N. This is the highest hardness reported to date for high entropy boride ceramics.",
publisher = "Wiley",
journal = "Journal of the American Ceramic Society",
title = "A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W",
doi = "10.1111/jace.19795",
url = "https://hdl.handle.net/21.15107/rcub_dais_16517"
}

Filipović, S., Obradović, N., Hilmas, G. E., Fahrenholtz, W. G., Brenner, D. W., Maria, J., Wolfe, D. E., Zurek, E., Campilongo, X.,& Curtarolo, S.. (2024). A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W. in Journal of the American Ceramic Society
Wiley..
https://doi.org/10.1111/jace.19795
https://hdl.handle.net/21.15107/rcub_dais_16517

Filipović S, Obradović N, Hilmas GE, Fahrenholtz WG, Brenner DW, Maria J, Wolfe DE, Zurek E, Campilongo X, Curtarolo S. A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W. in Journal of the American Ceramic Society. 2024;.
doi:10.1111/jace.19795
https://hdl.handle.net/21.15107/rcub_dais_16517 .

Filipović, Suzana, Obradović, Nina, Hilmas, Greg E., Fahrenholtz, William G., Brenner, Donald W., Maria, Jon‐Paul, Wolfe, Douglas E., Zurek, Eva, Campilongo, Xiomara, Curtarolo, Stefano, "A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W" in Journal of the American Ceramic Society (2024),
https://doi.org/10.1111/jace.19795 .,
https://hdl.handle.net/21.15107/rcub_dais_16517 .

TY  - CONF
AU  - Filipović, Suzana
AU  - Hilmas, Gregory E.
AU  - Fahrenholtz, William G.
AU  - Obradović, Nina
AU  - Curtarolo, Stefano
PY  - 2024
UR  - https://dais.sanu.ac.rs/123456789/16386
AB  - Dual phase high entropy ceramics are attractive due to potential synergetic effects of the constituents on mechanical properties and thermal stability. In this research, dense, dual phase (Hf,Mo,Ti,W,Z) B2-(Hf.Mo.Ti.W,Zr)C powder was synthesized by varying the contents of the transition metals in the final product. The co-synthesis method was used to obtain boride and carbide constituents by boro/ carbothermal reduction of mixtures of oxides and appropriate amounts of carbon black and B4C. Solid solution formation and densification of the reacted powders were done utilizing two step spark plasma sintering or hot pressing processes. Phase compositions of the produced ceramics were identified by x-ray diffraction while chemical compositions were measured using energy dispersive spectroscopy. The final microstructures showed submicron grains due to pining effect of the two phases. Investigation of the mechanical properties showed increasing in Vickers hardness values s up to 48.6 2.2 GPa for applied load of 0.49N for compositions with optimized elemental contents. Room temperature strength was also measured.
PB  - American Ceramic Society
C3  - Abstract Book / 48th International Conference & Exposition on Advanced Ceramics and Composites, January 28–February 2, 2024, Daytona Beach, Florida
T1  - Synthesis and Properties of (Hf,Mo,Ti,W,Zr)B2-(Hf,Mo,Ti,W,Z)C Dual Phase Ceramics
UR  - https://hdl.handle.net/21.15107/rcub_dais_16386
ER  - 

@conference{
author = "Filipović, Suzana and Hilmas, Gregory E. and Fahrenholtz, William G. and Obradović, Nina and Curtarolo, Stefano",
year = "2024",
abstract = "Dual phase high entropy ceramics are attractive due to potential synergetic effects of the constituents on mechanical properties and thermal stability. In this research, dense, dual phase (Hf,Mo,Ti,W,Z) B2-(Hf.Mo.Ti.W,Zr)C powder was synthesized by varying the contents of the transition metals in the final product. The co-synthesis method was used to obtain boride and carbide constituents by boro/ carbothermal reduction of mixtures of oxides and appropriate amounts of carbon black and B4C. Solid solution formation and densification of the reacted powders were done utilizing two step spark plasma sintering or hot pressing processes. Phase compositions of the produced ceramics were identified by x-ray diffraction while chemical compositions were measured using energy dispersive spectroscopy. The final microstructures showed submicron grains due to pining effect of the two phases. Investigation of the mechanical properties showed increasing in Vickers hardness values s up to 48.6 2.2 GPa for applied load of 0.49N for compositions with optimized elemental contents. Room temperature strength was also measured.",
publisher = "American Ceramic Society",
journal = "Abstract Book / 48th International Conference & Exposition on Advanced Ceramics and Composites, January 28–February 2, 2024, Daytona Beach, Florida",
title = "Synthesis and Properties of (Hf,Mo,Ti,W,Zr)B2-(Hf,Mo,Ti,W,Z)C Dual Phase Ceramics",
url = "https://hdl.handle.net/21.15107/rcub_dais_16386"
}

Filipović, S., Hilmas, G. E., Fahrenholtz, W. G., Obradović, N.,& Curtarolo, S.. (2024). Synthesis and Properties of (Hf,Mo,Ti,W,Zr)B2-(Hf,Mo,Ti,W,Z)C Dual Phase Ceramics. in Abstract Book / 48th International Conference & Exposition on Advanced Ceramics and Composites, January 28–February 2, 2024, Daytona Beach, Florida
American Ceramic Society..
https://hdl.handle.net/21.15107/rcub_dais_16386

Filipović S, Hilmas GE, Fahrenholtz WG, Obradović N, Curtarolo S. Synthesis and Properties of (Hf,Mo,Ti,W,Zr)B2-(Hf,Mo,Ti,W,Z)C Dual Phase Ceramics. in Abstract Book / 48th International Conference & Exposition on Advanced Ceramics and Composites, January 28–February 2, 2024, Daytona Beach, Florida. 2024;.
https://hdl.handle.net/21.15107/rcub_dais_16386 .

Filipović, Suzana, Hilmas, Gregory E., Fahrenholtz, William G., Obradović, Nina, Curtarolo, Stefano, "Synthesis and Properties of (Hf,Mo,Ti,W,Zr)B2-(Hf,Mo,Ti,W,Z)C Dual Phase Ceramics" in Abstract Book / 48th International Conference & Exposition on Advanced Ceramics and Composites, January 28–February 2, 2024, Daytona Beach, Florida (2024),
https://hdl.handle.net/21.15107/rcub_dais_16386 .

TY  - JOUR
AU  - Divilov, Simon
AU  - Eckert, Hagen
AU  - Hicks, David
AU  - Oses, Corey
AU  - Toher, Cormac
AU  - Friedrich, Rico
AU  - Esters, Marco
AU  - Mehl, Michael J.
AU  - Zettel, Adam C.
AU  - Lederer, Yoav
AU  - Zurek, Eva
AU  - Maria, Jon-Paul
AU  - Brenner, Donald W.
AU  - Campilongo, Xiomara
AU  - Filipović, Suzana
AU  - Fahrenholtz, William G.
AU  - Ryan, Caillin J.
AU  - DeSalle, Christopher M.
AU  - Crealese, Ryan J.
AU  - Wolfe, Douglas E.
AU  - Calzolari, Arrigo
AU  - Curtarolo, Stefano
PY  - 2024
UR  - https://dais.sanu.ac.rs/123456789/16242
AB  - The need for improved functionalities in extreme environments is fuelling interest in high-entropy ceramics1,2,3. Except for the computational discovery of high-entropy carbides, performed with the entropy-forming-ability descriptor4, most innovation has been slowly driven by experimental means1,2,3. Hence, advancement in the field needs more theoretical contributions. Here we introduce disordered enthalpy–entropy descriptor (DEED), a descriptor that captures the balance between entropy gains and enthalpy costs, allowing the correct classification of functional synthesizability of multicomponent ceramics, regardless of chemistry and structure. To make our calculations possible, we have developed a convolutional algorithm that drastically reduces computational resources. Moreover, DEED guides the experimental discovery of new single-phase high-entropy carbonitrides and borides. This work, integrated into the AFLOW computational ecosystem, provides an array of potential new candidates, ripe for experimental discoveries.
PB  - Springer Science and Business Media LLC
T2  - Nature
T1  - Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery
SP  - 66
EP  - 73
VL  - 625
IS  - 7993
DO  - 10.1038/s41586-023-06786-y
UR  - https://hdl.handle.net/21.15107/rcub_dais_16242
ER  - 

@article{
author = "Divilov, Simon and Eckert, Hagen and Hicks, David and Oses, Corey and Toher, Cormac and Friedrich, Rico and Esters, Marco and Mehl, Michael J. and Zettel, Adam C. and Lederer, Yoav and Zurek, Eva and Maria, Jon-Paul and Brenner, Donald W. and Campilongo, Xiomara and Filipović, Suzana and Fahrenholtz, William G. and Ryan, Caillin J. and DeSalle, Christopher M. and Crealese, Ryan J. and Wolfe, Douglas E. and Calzolari, Arrigo and Curtarolo, Stefano",
year = "2024",
abstract = "The need for improved functionalities in extreme environments is fuelling interest in high-entropy ceramics1,2,3. Except for the computational discovery of high-entropy carbides, performed with the entropy-forming-ability descriptor4, most innovation has been slowly driven by experimental means1,2,3. Hence, advancement in the field needs more theoretical contributions. Here we introduce disordered enthalpy–entropy descriptor (DEED), a descriptor that captures the balance between entropy gains and enthalpy costs, allowing the correct classification of functional synthesizability of multicomponent ceramics, regardless of chemistry and structure. To make our calculations possible, we have developed a convolutional algorithm that drastically reduces computational resources. Moreover, DEED guides the experimental discovery of new single-phase high-entropy carbonitrides and borides. This work, integrated into the AFLOW computational ecosystem, provides an array of potential new candidates, ripe for experimental discoveries.",
publisher = "Springer Science and Business Media LLC",
journal = "Nature",
title = "Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery",
pages = "66-73",
volume = "625",
number = "7993",
doi = "10.1038/s41586-023-06786-y",
url = "https://hdl.handle.net/21.15107/rcub_dais_16242"
}

Divilov, S., Eckert, H., Hicks, D., Oses, C., Toher, C., Friedrich, R., Esters, M., Mehl, M. J., Zettel, A. C., Lederer, Y., Zurek, E., Maria, J., Brenner, D. W., Campilongo, X., Filipović, S., Fahrenholtz, W. G., Ryan, C. J., DeSalle, C. M., Crealese, R. J., Wolfe, D. E., Calzolari, A.,& Curtarolo, S.. (2024). Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery. in Nature
Springer Science and Business Media LLC., 625(7993), 66-73.
https://doi.org/10.1038/s41586-023-06786-y
https://hdl.handle.net/21.15107/rcub_dais_16242

Divilov S, Eckert H, Hicks D, Oses C, Toher C, Friedrich R, Esters M, Mehl MJ, Zettel AC, Lederer Y, Zurek E, Maria J, Brenner DW, Campilongo X, Filipović S, Fahrenholtz WG, Ryan CJ, DeSalle CM, Crealese RJ, Wolfe DE, Calzolari A, Curtarolo S. Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery. in Nature. 2024;625(7993):66-73.
doi:10.1038/s41586-023-06786-y
https://hdl.handle.net/21.15107/rcub_dais_16242 .

Divilov, Simon, Eckert, Hagen, Hicks, David, Oses, Corey, Toher, Cormac, Friedrich, Rico, Esters, Marco, Mehl, Michael J., Zettel, Adam C., Lederer, Yoav, Zurek, Eva, Maria, Jon-Paul, Brenner, Donald W., Campilongo, Xiomara, Filipović, Suzana, Fahrenholtz, William G., Ryan, Caillin J., DeSalle, Christopher M., Crealese, Ryan J., Wolfe, Douglas E., Calzolari, Arrigo, Curtarolo, Stefano, "Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery" in Nature, 625, no. 7993 (2024):66-73,
https://doi.org/10.1038/s41586-023-06786-y .,
https://hdl.handle.net/21.15107/rcub_dais_16242 .