Naslov
Thermosalient (”jumping”) crystals

Autori
Lončarić, Ivor ; Popović, Jasminka ; Skoko, Željko

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
19th International Workshop on Computational Physics and Material Science: Total Energy and Force Methods / - , 2019

Skup
19th International Workshop on Computational Physics and Material Science

Mjesto i datum
Trst, Italija, 09.01.2019. - 11.01.2019

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
density functional theory

Sažetak
Thermosalient materials when heated or cooled are characterized by a fast and energetic phase transition in which crystals experience macroscopic change in dimensions and jump to distances much larger than their own dimension. Since the first systematic study [1], there has been a rising intrest for these interesting, and potentially useful, acutating materials. As a one example, N-2-propylidene- 4- hydroxybenzohydrazide shows irreversible thermosalient phase transition from Form I to Form II and reversible thermosalient phase transition from Form II to Form III. We combine experiments and first-principles elec- tronic structure calculations to elucidate this interesting and technologically useful phenomenon [2]. [1] Skoko et al., J. Am. Chem. Soc. 132, 14191 (2010). [2] Lončarić et al., Cryst. Growth Des. 17, 4445 (2017).

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA