Zhang, R.-Z. & Reece, M. J. Evaluate of excessive entropy ceramics: design, synthesis, construction and properties. J. Mater. Chem. A 7, 22148–22162 (2019).
Oses, C., Toher, C. & Curtarolo, S. Excessive-entropy ceramics. Nat. Rev. Mater. 5, 295–309 (2020).
Feng, L., Fahrenholtz, W. G. & Brenner, D. W. Excessive-entropy ultra-high-temperature borides and carbides: a brand new class of supplies for excessive environments. Annu. Rev. Mater. Res. 51, 165–185 (2021).
Sarker, P. et al. Excessive-entropy high-hardness metallic carbides found by entropy descriptors. Nat. Commun. 9, 4980 (2018).
Calzolari, A. et al. Plasmonic high-entropy carbides. Nat. Commun. 13, 5993 (2022).
Oganov, A. R. (ed.) Fashionable Strategies of Crystal Construction Prediction (Wiley, 2010).
Dellago, C., Bolhuis, P. G., Csajka, F. S. & Chandler, D. Transition path sampling and the calculation of fee constants. J. Chem. Phys. 108, 1964–1977 (1998).
Solar, W. et al. The thermodynamic scale of inorganic crystalline metastability. Sci. Adv. 2, e1600225 (2016).
Aykol, M., Dwaraknath, S. S., Solar, W. & Persson, Okay. A. Thermodynamic restrict for synthesis of metastable inorganic supplies. Sci. Adv. 4, eaaq0148 (2018).
Wang, Z. et al. Mining unexplored chemistries for phosphors for high-color-quality white-light-emitting diodes. Joule 2, 914–926 (2018).
Bartel, C. J., Weimer, A. W., Lany, S., Musgrave, C. B. & Holder, A. M. The position of decomposition reactions in assessing first-principles predictions of strong stability. NPJ Comput. Mater. 5, 4 (2019).
O’Donnell, S. et al. Pushing the boundaries of metastability in semiconducting perovskite oxides for visible-light-driven water oxidation. Chem. Mater. 32, 3054–3064 (2020).
Singstock, N. R. et al. Machine studying guided synthesis of multinary Chevrel section chalcogenides. J. Am. Chem. Soc. 143, 9113–9122 (2021).
Abolhasani, M. & Kumacheva, E. The rise of self-driving labs in chemical and supplies sciences. Nat. Synth. 2, 483–492 (2023).
Hart, G. L. W., Mueller, T., Toher, C. & Curtarolo, S. Machine studying and alloys. Nat. Rev. Mater. 6, 730–755 (2021).
Hossain, M. D. et al. Entropy landscaping of high-entropy carbides. Adv. Mater. 33, 2102904 (2021).
Esters, M. et al. aflow.org: an internet ecosystem of databases, software program and instruments. Comput. Mater. Sci. 216, 111808 (2023).
Oses, C. et al. aflow++: a C++ framework for autonomous supplies design. Comput. Mater. Sci. 217, 111889 (2023).
de Fontaine, D. in Stable State Physics Vol. 47 (eds Ehrenreich, H. & Turnbull, D.) 33–176 (Educational Press, 1994).
Lederer, Y., Toher, C., Vecchio, Okay. S. & Curtarolo, S. The seek for excessive entropy alloys: a high-throughput ab initio strategy. Acta Mater. 159, 364–383 (2018).
Yang, Okay., Oses, C. & Curtarolo, S. Modeling off-stoichiometry supplies with a high-throughput ab-initio strategy. Chem. Mater. 28, 6484–6492 (2016).
Esters, M. et al. Settling the matter of the position of vibrations within the stability of high-entropy carbides. Nat. Commun. 12, 5747 (2021).
Krug, R. R., Hunter, W. G. & Grieger, R. A. Statistical interpretation of enthalpy – entropy compensation. Nature 261, 566–567 (1976).
Miracle, D. B. & Senkov, O. N. A essential assessment of excessive entropy alloys and associated ideas. Acta Mater. 122, 448–511 (2017).
Ye, B., Wen, T., Huang, Okay., Wang, C.-Z. & Chu, Y. First-principles research, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramic. J. Am. Ceram. Soc. 102, 4344–4352 (2019).
Yan, X. et al. (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramics with low thermal conductivity. J. Am. Ceram. Soc. 101, 4486–4491 (2018).
Zhou, J. et al. Excessive-entropy carbide: a novel class of multicomponent ceramics. Ceram. Int. 44, 22014–22018 (2018).
Dippo, O. F., Mesgarzadeh, N., Harrington, T. J., Schrader, G. D. & Vecchio, Okay. S. Bulk high-entropy nitrides and carbonitrides. Sci. Rep. 10, 21288 (2020).
Réjasse, F., Rapaud, O., Trolliard, G., Masson, O. & Maitre, A. Experimental investigation and thermodynamic analysis of the C-O-Zr ternary system. RSC Adv. 6, 100122–100135 (2016).
Réjasse, F., Rapaud, O., Trolliard, G., Masson, O. & Maitre, A. Experimental investigation and thermodynamic analysis of the C-Hf-O ternary system. J. Am. Chem. Soc. 100, 3757–3770 (2017).
Barrett, C. S. & Massalski, T. B. Construction of Metals third edn (Pergamon Press, 1980).
Feng, L., Monteverde, F., Fahrenholtz, W. G. & Hilmas, G. E. Superhard high-entropy AlB2-type diboride ceramics. Scr. Mater. 199, 113855 (2021).
Friedrich, R. et al. Coordination corrected ab initio formation enthalpies. NPJ Comput. Mater. 5, 59 (2019).
Citadel, E., Csanádi, T., Grasso, S., Dusza, J. & Reece, M. Processing and properties of high-entropy ultra-high temperature carbides. Sci. Rep. 8, 8609 (2018).
Chicardi, E., García-Garrido, C., Hernández-Saz, J. & Gotor, F. Synthesis of all equiatomic five-transition metals excessive entropy carbides of the IVB (Ti, Zr, Hf) and VB (V, Nb, Ta) teams by a low temperature route. Ceram. Int. 46, 21421–21430 (2020).
Harrington, T. J. et al. Section stability and mechanical properties of novel excessive entropy transition metallic carbides. Acta Mater. 166, 271–280 (2019).
Chicardi, E., García-Garrido, C. & Gotor, F. J. Low temperature synthesis of an equiatomic (TiZrHfVNb)C5 excessive entropy carbide by a mechanically-induced carbon diffusion route. Ceram. Int. 45, 21858–21863 (2019).
Wei, X.-F. et al. Excessive entropy carbide ceramics from completely different beginning supplies. J. Eur. Ceram. Soc. 39, 2989–2994 (2019).
Kaufmann, Okay. et al. Discovery of high-entropy ceramics by way of machine studying. NPJ Comput. Mater. 6, 42 (2020).
Zhang, P. et al. Excessive-entropy carbide-nitrides with enhanced toughness and sinterability. Sci. China Mater. 64, 2037–2044 (2021).
Wen, T., Ye, B., Nguyen, M. C., Ma, M. & Chu, Y. Thermophysical and mechanical properties of novel high-entropy metallic nitride-carbides. J. Am. Ceram. Soc. 103, 6475–6489 (2020).
Ma, S. et al. Synthesis of novel single-phase high-entropy metallic carbonitride ceramic powders. Int. J. Refract. Metals Laborious Mater. 94, 105390 (2021).
Liu, D., Liu, H., Ning, S., Ye, B. & Chu, Y. Synthesis of high-purity high-entropy metallic diboride powders by boro/carbothermal discount. J. Am. Ceram. Soc. 102, 7071–7076 (2019).
Liu, D., Wen, T., Ye, B. & Chu, Y. Synthesis of superfine high-entropy metallic diboride powders. Scr. Mater. 167, 110–114 (2019).
Gild, J. et al. Thermal conductivity and hardness of three single-phase high-entropy metallic diborides fabricated by borocarbothermal discount and spark plasma sintering. Ceram. Int. 46, 6906–6913 (2020).
Zhang, Y. et al. Microstructure and mechanical properties of high-entropy borides derived from boro/carbothermal discount. J. Eur. Ceram. Soc. 39, 3920–3924 (2019).
Gild, J., Kaufmann, Okay., Vecchio, Okay. & Luo, J. Reactive flash spark plasma sintering of high-entropy ultrahigh temperature ceramics. Scr. Mater. 170, 106–110 (2019).
Feng, L., Fahrenholtz, W. G. & Hilmas, G. E. Processing of dense high-entropy boride ceramics. J. Eur. Ceram. Soc. 40, 3815–3823 (2020).
Gild, J. et al. Excessive-entropy metallic diborides: a brand new class of high-entropy supplies and a brand new sort of ultrahigh temperature ceramics. Sci. Rep. 6, 37946 (2016).
Tallarita, G., Licheri, R., Garroni, S., Orrù, R. & Cao, G. Novel processing route for the fabrication of bulk high-entropy metallic diborides. Scr. Mater. 158, 100–104 (2019).
Zhang, Y. et al. Dense high-entropy boride ceramics with ultra-high hardness. Scr. Mater. 164, 135–139 (2019).
Tallarita, G. et al. Excessive-entropy transition metallic diborides by reactive and non-reactive spark plasma sintering: a comparative investigation. J. Eur. Ceram. Soc. 40, 942–952 (2020).
Iwan, S. et al. Excessive-pressure high-temperature synthesis and thermal equation of state of high-entropy transition metallic boride. AIP Adv. 11, 035107 (2021).
Qin, M. et al. Twin-phase high-entropy ultra-high temperature ceramics. J. Eur. Ceram. Soc. 40, 5037–5050 (2020).
A. Drabold, D. Matters within the principle of amorphous supplies. Eur. Phys. J. B 68, 1–21 (2009).
Perim, E. et al. Spectral descriptors for bulk metallic glasses based mostly on the thermodynamics of competing crystalline phases. Nat. Commun. 7, 12315 (2016).
Hicks, D. et al. AFLOW-SYM: platform for the entire, automated and self-consistent symmetry evaluation of crystals. Acta Crystallogr. Sect. A 74, 184–203 (2018).
Hicks, D. et al. AFLOW-XtalFinder: a dependable option to establish crystalline prototypes. NPJ Comput. Mater. 7, 30 (2021).
Calderon, C. E. et al. The AFLOW normal for high-throughput supplies science calculations. Comput. Mater. Sci. 108, 233–238 (2015).
Chepulskii, R. V. & Curtarolo, S. Calculation of solubility in titanium alloys from first rules. Acta Mater. 57, 5314 (2009).
Oses, C. et al. AFLOW-CHULL: cloud-oriented platform for autonomous section stability evaluation. J. Chem. Inf. Mannequin. 58, 2477–2490 (2018).
Taylor, R. H. et al. A RESTful API for exchanging supplies information within the AFLOWLIB.org consortium. Comput. Mater. Sci. 93, 178–192 (2014).
Rose, F. et al. AFLUX: the LUX supplies search API for the AFLOW information repositories. Comput. Mater. Sci. 137, 362–370 (2017).
George, E. P., Raabe, D. & Ritchie, R. O. Excessive-entropy alloys. Nat. Rev. Mater. 4, 515–534 (2019).
Toher, C. et al. Excessive-entropy ceramics: propelling purposes via dysfunction. MRS Bull. 47, 194–202 (2022).
Zhou, L. et al. Excessive-entropy thermal barrier coating of rare-earth zirconate: a case research on (La0.2Nd0.2Sm0.2Eu0.2Gd0.2)2Zr2O7 ready by atmospheric plasma spraying. J. Eur. Ceram. Soc. 40, 5731–5739 (2020).
Zhu, J. et al. Extremely-low thermal conductivity and enhanced mechanical properties of high-entropy uncommon earth niobates (RE3NbO7, RE = Dy, Y, Ho, Er, Yb). J. Eur. Ceram. Soc. 41, 1052–1057 (2021).
Zhu, J. et al. Twin-phase rare-earth-zirconate high-entropy ceramics with glass-like thermal conductivity. J. Eur. Ceram. Soc. 41, 2861–2869 (2021).
Chen, L. et al. Achieved restrict thermal conductivity and enhancements of mechanical properties in fluorite RE3NbO7 by way of entropy engineering. Appl. Phys. Lett. 118, 071905 (2021).
Braic, V., Vladescu, A., Balaceanu, M., Luculescu, C. R. & Braic, M. Nanostructured multi-element (TiZrNbHfTa)N and (TiZrNbHfTa)C laborious coatings. Surf. Coat. Technol. 211, 117–121 (2012).
Hsueh, H.-T., Shen, W.-J., Tsai, M.-H. & Yeh, J.-W. Impact of nitrogen content material and substrate bias on mechanical and corrosion properties of high-entropy movies (AlCrSiTiZr)100−xNx. Surf. Coat. Technol. 206, 4106–4112 (2012).
Dinu, M. et al. In vitro corrosion resistance of Si containing multi-principal ingredient carbide coatings. Mater. Corros. 67, 908–914 (2016).
Malinovskis, P. et al. Synthesis and characterization of multicomponent (CrNbTaTiW)C movies for elevated hardness and corrosion resistance. Mater. Des. 149, 51–62 (2018).
Ye, B., Wen, T., Liu, D. & Chu, Y. Oxidation habits of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramics at 1073-1473 Okay in air. Corros. Sci. 153, 327–332 (2019).
Zheng, Y. et al. Electrical and thermal transport behaviours of high-entropy perovskite thermoelectric oxides. J. Adv. Ceram. 10, 377–384 (2021).
Jiang, B. et al. Excessive-entropy-stabilized chalcogenides with excessive thermoelectric efficiency. Science 371, 830–834 (2021).
Jiang, B. et al. Entropy engineering promotes thermoelectric efficiency in p-type chalcogenides. Nat. Commun. 12, 3234 (2021).
Sarkar, A. et al. Excessive entropy oxides for reversible power storage. Nat. Commun. 9, 3400 (2018).
Zheng, Y. et al. A high-entropy metallic oxide as chemical anchor of polysulfide for lithium-sulfur batteries. Power Storage Mater. 23, 678–683 (2019).
Chen, Y. et al. Alternatives for high-entropy supplies in rechargeable batteries. ACS Mater. Lett. 3, 160–170 (2021).
Chen, H. et al. Entropy-stabilized metallic oxide strong options as CO oxidation catalysts with high-temperature stability. J. Mater. Chem. A 6, 11129–11133 (2018).
Zhai, S. et al. Using poly-cation oxides to decrease the temperature of two-step thermochemical water splitting. Power Environ. Sci. 11, 2172–2178 (2018).
Batchelor, T. A. A. et al. Excessive-entropy alloys as a discovery platform for electrocatalysis. Joule 3, 834–845 (2019).
Chen, H. et al. Mechanochemical synthesis of excessive entropy oxide supplies below ambient circumstances: dispersion of catalysts by way of entropy maximization. ACS Mater. Lett. 1, 83–88 (2019).
Fracchia, M. et al. Stabilization by configurational entropy of the Cu(II) lively website throughout CO oxidation on Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O. J. Phys. Chem. Lett. 11, 3589–3593 (2020).
Mehl, M. J. et al. The AFLOW Library of Crystallographic Prototypes: half 1. Comput. Mater. Sci. 136, S1–S828 (2017).
Hicks, D. et al. The AFLOW Library of Crystallographic Prototypes: half 2. Comput. Mater. Sci. 161, S1–S1011 (2019).
Hicks, D. et al. The AFLOW Library of Crystallographic Prototypes: half 3. Comput. Mater. Sci. 199, 110450 (2021).
Li, F. et al. Liquid precursor-derived high-entropy carbide nanopowders. Ceram. Int. 45, 22437–22441 (2019).
Feng, L., Fahrenholtz, W. G., Hilmas, G. E. & Zhou, Y. Synthesis of single-phase high-entropy carbide powders. Scr. Mater. 162, 90–93 (2019).
Positive, J., Vishnu, S. S. M., Kim, H.-Okay. & Schwandt, C. Facile electrochemical synthesis of nanoscale (TiNbTaZrHf)C high-entropy carbide powder. Angew. Chem. Int. Ed. 59, 11830–11835 (2020).
Feng, L., Fahrenholtz, W. G., Hilmas, G. E. & Curtarolo, S. Boro/carbothermal discount co-synthesis of dual-phase high-entropy boride-carbide ceramics. J. Am. Ceram. Soc. 43, 2708–2712 (2023).
Arganda-Carreras, I. et al. Trainable Weka segmentation: a machine studying device for microscopy pixel classification. Bioinformatics 33, 2424–2426 (2017).